data_6477 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6477 _Entry.Title ; Solution structure of the P2b-P3 pseudoknot from human telomerase RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-02 _Entry.Accession_date 2005-02-08 _Entry.Last_release_date 2006-02-17 _Entry.Original_release_date 2006-02-17 _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 C. Theimer . A. . 6477 2 C. Blois . A. . 6477 3 J. Feigon . . . 6477 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6477 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 6477 '15N chemical shifts' 73 6477 '1H chemical shifts' 336 6477 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 . . 2006-02-17 2005-02-02 original author . 6477 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1YMO 'BMRB Entry Tracking System' 6477 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6477 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15749017 _Citation.Full_citation . _Citation.Title ; Structure of the human telomerase RNA pseudoknot reveals conserved tertiary interactions essential for function. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 17 _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 671 _Citation.Page_last 682 _Citation.Year 2005 _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 C. Theimer . A. . 6477 1 2 C. Blois . A. . 6477 1 3 J. Feigon . . . 6477 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hoogsteen 6477 1 non-canonical 6477 1 pseudoknot 6477 1 'tertiary structure' 6477 1 triplex 6477 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_P2b-P3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_P2b-P3 _Assembly.Entry_ID 6477 _Assembly.ID 1 _Assembly.Name 'Telomerase RNA P2b-P3 pseudoknot' _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 6477 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 'Telomerase RNA P2b-P3 pseudoknot' 1 $P2b-P3 . . . native . . . . . 6477 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 1YMO . . . . . . 6477 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Telomerase RNA P2b-P3 pseudoknot' abbreviation 6477 1 'Telomerase RNA P2b-P3 pseudoknot' system 6477 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P2b-P3 _Entity.Sf_category entity _Entity.Sf_framecode P2b-P3 _Entity.Entry_ID 6477 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Telomerase RNA P2b-P3 pseudoknot' _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 ; GGGCUGUUUUUCUCGCUGAC UUUCAGCCCCAAACAAAAAA GUCAGCA ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Telomerase RNA P2b-P3 pseudoknot' abbreviation 6477 1 'Telomerase RNA P2b-P3 pseudoknot' common 6477 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 . 6477 1 2 . G . 6477 1 3 . G . 6477 1 4 96 C . 6477 1 5 97 U . 6477 1 6 98 G . 6477 1 7 99 U . 6477 1 8 100 U . 6477 1 9 101 U . 6477 1 10 102 U . 6477 1 11 103 U . 6477 1 12 104 C . 6477 1 13 105 U . 6477 1 14 106 C . 6477 1 15 107 G . 6477 1 16 108 C . 6477 1 17 109 U . 6477 1 18 110 G . 6477 1 19 111 A . 6477 1 20 112 C . 6477 1 21 113 U . 6477 1 22 114 U . 6477 1 23 115 U . 6477 1 24 116 C . 6477 1 25 117 A . 6477 1 26 118 G . 6477 1 27 . C . 6477 1 28 . C . 6477 1 29 . C . 6477 1 30 . C . 6477 1 31 167 A . 6477 1 32 168 A . 6477 1 33 169 A . 6477 1 34 170 C . 6477 1 35 171 A . 6477 1 36 172 A . 6477 1 37 173 A . 6477 1 38 174 A . 6477 1 39 175 A . 6477 1 40 176 A . 6477 1 41 177 G . 6477 1 42 178 U . 6477 1 43 179 C . 6477 1 44 180 A . 6477 1 45 181 G . 6477 1 46 182 C . 6477 1 47 183 A . 6477 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 6477 1 . G 2 2 6477 1 . G 3 3 6477 1 . C 4 4 6477 1 . U 5 5 6477 1 . G 6 6 6477 1 . U 7 7 6477 1 . U 8 8 6477 1 . U 9 9 6477 1 . U 10 10 6477 1 . U 11 11 6477 1 . C 12 12 6477 1 . U 13 13 6477 1 . C 14 14 6477 1 . G 15 15 6477 1 . C 16 16 6477 1 . U 17 17 6477 1 . G 18 18 6477 1 . A 19 19 6477 1 . C 20 20 6477 1 . U 21 21 6477 1 . U 22 22 6477 1 . U 23 23 6477 1 . C 24 24 6477 1 . A 25 25 6477 1 . G 26 26 6477 1 . C 27 27 6477 1 . C 28 28 6477 1 . C 29 29 6477 1 . C 30 30 6477 1 . A 31 31 6477 1 . A 32 32 6477 1 . A 33 33 6477 1 . C 34 34 6477 1 . A 35 35 6477 1 . A 36 36 6477 1 . A 37 37 6477 1 . A 38 38 6477 1 . A 39 39 6477 1 . A 40 40 6477 1 . G 41 41 6477 1 . U 42 42 6477 1 . C 43 43 6477 1 . A 44 44 6477 1 . G 45 45 6477 1 . C 46 46 6477 1 . A 47 47 6477 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 6477 _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 $P2b-P3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6477 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 6477 _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 $P2b-P3 . 'enzymatic semi-synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6477 _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 'Telomerase RNA P2b-P3 pseudoknot' . . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 1 3 KCl . . . . . . . 200 . . mM . . . . 6477 1 4 EDTA . . . . . . . 50 . . uM . . . . 6477 1 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 1 6 H2O . . . . . . . 95 . . % . . . . 6477 1 7 D2O . . . . . . . 5 . . % . . . . 6477 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6477 _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 'Telomerase RNA P2b-P3 pseudoknot' . . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 2 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 2 3 KCl . . . . . . . 200 . . mM . . . . 6477 2 4 EDTA . . . . . . . 50 . . uM . . . . 6477 2 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 2 6 D2O . . . . . . . 100 . . % . . . . 6477 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6477 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 3 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 3 3 KCl . . . . . . . 200 . . mM . . . . 6477 3 4 EDTA . . . . . . . 50 . . uM . . . . 6477 3 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 3 6 H2O . . . . . . . 95 . . % . . . . 6477 3 7 D2O . . . . . . . 5 . . % . . . . 6477 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6477 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 4 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 4 3 KCl . . . . . . . 200 . . mM . . . . 6477 4 4 EDTA . . . . . . . 50 . . uM . . . . 6477 4 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 4 6 D2O . . . . . . . 100 . . % . . . . 6477 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 6477 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-A' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 5 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 5 3 KCl . . . . . . . 200 . . mM . . . . 6477 5 4 EDTA . . . . . . . 50 . . uM . . . . 6477 5 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 5 6 H2O . . . . . . . 95 . . % . . . . 6477 5 7 D2O . . . . . . . 5 . . % . . . . 6477 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 6477 _Sample.ID 6 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-A' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 6 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 6 3 KCl . . . . . . . 200 . . mM . . . . 6477 6 4 EDTA . . . . . . . 50 . . uM . . . . 6477 6 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 6 6 D2O . . . . . . . 100 . . % . . . . 6477 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 6477 _Sample.ID 7 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-C' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 7 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 7 3 KCl . . . . . . . 200 . . mM . . . . 6477 7 4 EDTA . . . . . . . 50 . . uM . . . . 6477 7 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 7 6 H2O . . . . . . . 95 . . % . . . . 6477 7 7 D2O . . . . . . . 5 . . % . . . . 6477 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 6477 _Sample.ID 8 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-C' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 8 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 8 3 KCl . . . . . . . 200 . . mM . . . . 6477 8 4 EDTA . . . . . . . 50 . . uM . . . . 6477 8 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 8 6 D2O . . . . . . . 100 . . % . . . . 6477 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 6477 _Sample.ID 9 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-G' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 9 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 9 3 KCl . . . . . . . 200 . . mM . . . . 6477 9 4 EDTA . . . . . . . 50 . . uM . . . . 6477 9 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 9 6 H2O . . . . . . . 95 . . % . . . . 6477 9 7 D2O . . . . . . . 5 . . % . . . . 6477 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 6477 _Sample.ID 10 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-G' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 10 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 10 3 KCl . . . . . . . 200 . . mM . . . . 6477 10 4 EDTA . . . . . . . 50 . . uM . . . . 6477 10 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 10 6 D2O . . . . . . . 100 . . % . . . . 6477 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 6477 _Sample.ID 11 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-U' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 11 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 11 3 KCl . . . . . . . 200 . . mM . . . . 6477 11 4 EDTA . . . . . . . 50 . . uM . . . . 6477 11 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 11 6 H2O . . . . . . . 95 . . % . . . . 6477 11 7 D2O . . . . . . . 5 . . % . . . . 6477 11 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 6477 _Sample.ID 12 _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 'Telomerase RNA P2b-P3 pseudoknot' '[U-13C; U-15N]-U' . . 1 $P2b-P3 . . 0.8 . . mM . . . . 6477 12 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6477 12 3 KCl . . . . . . . 200 . . mM . . . . 6477 12 4 EDTA . . . . . . . 50 . . uM . . . . 6477 12 5 'sodium azide' . . . . . . . 0.2 . . % . . . . 6477 12 6 D2O . . . . . . . 100 . . % . . . . 6477 12 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 6477 _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 'ionic strength' 200 . mM 6477 1 pH 6.3 . pH 6477 1 pressure 1 . atm 6477 1 temperature 283 . K 6477 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 6477 _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 'ionic strength' 200 . mM 6477 2 pH 6.3 . pH 6477 2 pressure 1 . atm 6477 2 temperature 293 . K 6477 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6477 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6477 1 processing 6477 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 6477 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.108 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6477 2 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6477 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 1.0.6 _Software.Details NIH loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6477 3 'structure solution' 6477 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6477 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 6477 _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 NMR_spectrometer Bruker AVANCE . 800 . . . 6477 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 6477 _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 '2D NOESY (11echo and watergate)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 3 '2D TOCSY (presat)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 4 '2D 15N-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 5 '2D 15N-CPMG-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 6 '2D JNN-HNN-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 7 '2D 13C-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 8 '2D HCCH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 10 '2D 13C filtered/edited NOESYs' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6477 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY (11echo and watergate)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D TOCSY (presat)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 15N-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 15N-CPMG-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D JNN-HNN-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 13C-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6477 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 13C filtered/edited NOESYs' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 6477 _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 0.101329118 . . . . . . . . . 6477 1 H 1 H2O protons . . . . ppm . internal direct 1.0 internal . . . . . . . . 6477 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6477 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 6477 _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 . 6477 1 . . 2 $sample_2 . 6477 1 . . 3 $sample_3 . 6477 1 . . 4 $sample_4 . 6477 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 13.052 . . 1 . . . . . . . . 6477 1 2 . 1 1 1 1 G H8 H 1 8.171 . . 1 . . . . . . . . 6477 1 3 . 1 1 1 1 G C8 C 13 138.972 . . 1 . . . . . . . . 6477 1 4 . 1 1 1 1 G N1 N 15 146.518 . . 1 . . . . . . . . 6477 1 5 . 1 1 1 1 G H1' H 1 5.855 . . 1 . . . . . . . . 6477 1 6 . 1 1 1 1 G H2' H 1 4.959 . . 1 . . . . . . . . 6477 1 7 . 1 1 1 1 G H3' H 1 4.804 . . 1 . . . . . . . . 6477 1 8 . 1 1 1 1 G H4' H 1 4.592 . . 1 . . . . . . . . 6477 1 9 . 1 1 1 1 G C1' C 13 92.726 . . 1 . . . . . . . . 6477 1 10 . 1 1 1 1 G C2' C 13 74.926 . . 1 . . . . . . . . 6477 1 11 . 1 1 1 1 G C3' C 13 74.360 . . 1 . . . . . . . . 6477 1 12 . 1 1 1 1 G C4' C 13 83.273 . . 1 . . . . . . . . 6477 1 13 . 1 1 2 2 G H1 H 1 13.529 . . 1 . . . . . . . . 6477 1 14 . 1 1 2 2 G H8 H 1 7.717 . . 1 . . . . . . . . 6477 1 15 . 1 1 2 2 G C8 C 13 136.440 . . 1 . . . . . . . . 6477 1 16 . 1 1 2 2 G N1 N 15 147.630 . . 1 . . . . . . . . 6477 1 17 . 1 1 2 2 G H1' H 1 6.062 . . 1 . . . . . . . . 6477 1 18 . 1 1 2 2 G H2' H 1 5.045 . . 1 . . . . . . . . 6477 1 19 . 1 1 2 2 G H3' H 1 4.650 . . 1 . . . . . . . . 6477 1 20 . 1 1 2 2 G H4' H 1 4.627 . . 1 . . . . . . . . 6477 1 21 . 1 1 2 2 G C1' C 13 92.595 . . 1 . . . . . . . . 6477 1 22 . 1 1 2 2 G C2' C 13 75.677 . . 1 . . . . . . . . 6477 1 23 . 1 1 2 2 G C3' C 13 73.107 . . 1 . . . . . . . . 6477 1 24 . 1 1 2 2 G C4' C 13 82.206 . . 1 . . . . . . . . 6477 1 25 . 1 1 3 3 G H1 H 1 13.462 . . 1 . . . . . . . . 6477 1 26 . 1 1 3 3 G H21 H 1 8.691 . . 1 . . . . . . . . 6477 1 27 . 1 1 3 3 G H22 H 1 7.002 . . 1 . . . . . . . . 6477 1 28 . 1 1 3 3 G H8 H 1 7.115 . . 1 . . . . . . . . 6477 1 29 . 1 1 3 3 G C8 C 13 136.146 . . 1 . . . . . . . . 6477 1 30 . 1 1 3 3 G N1 N 15 149.193 . . 1 . . . . . . . . 6477 1 31 . 1 1 3 3 G N2 N 15 76.219 . . 1 . . . . . . . . 6477 1 32 . 1 1 3 3 G H1' H 1 5.933 . . 1 . . . . . . . . 6477 1 33 . 1 1 3 3 G H2' H 1 4.469 . . 1 . . . . . . . . 6477 1 34 . 1 1 3 3 G H3' H 1 4.262 . . 1 . . . . . . . . 6477 1 35 . 1 1 3 3 G H4' H 1 4.647 . . 1 . . . . . . . . 6477 1 36 . 1 1 3 3 G C1' C 13 94.273 . . 1 . . . . . . . . 6477 1 37 . 1 1 3 3 G C2' C 13 73.908 . . 1 . . . . . . . . 6477 1 38 . 1 1 3 3 G C3' C 13 73.871 . . 1 . . . . . . . . 6477 1 39 . 1 1 3 3 G C4' C 13 82.423 . . 1 . . . . . . . . 6477 1 40 . 1 1 4 4 C H41 H 1 8.892 . . 1 . . . . . . . . 6477 1 41 . 1 1 4 4 C H42 H 1 6.714 . . 1 . . . . . . . . 6477 1 42 . 1 1 4 4 C H5 H 1 5.019 . . 1 . . . . . . . . 6477 1 43 . 1 1 4 4 C H6 H 1 7.434 . . 1 . . . . . . . . 6477 1 44 . 1 1 4 4 C C5 C 13 96.132 . . 1 . . . . . . . . 6477 1 45 . 1 1 4 4 C C6 C 13 141.540 . . 1 . . . . . . . . 6477 1 46 . 1 1 4 4 C N3 N 15 196.550 . . 1 . . . . . . . . 6477 1 47 . 1 1 4 4 C N4 N 15 97.314 . . 1 . . . . . . . . 6477 1 48 . 1 1 4 4 C H1' H 1 3.730 . . 1 . . . . . . . . 6477 1 49 . 1 1 4 4 C H2' H 1 4.107 . . 1 . . . . . . . . 6477 1 50 . 1 1 4 4 C H3' H 1 3.739 . . 1 . . . . . . . . 6477 1 51 . 1 1 4 4 C H4' H 1 4.041 . . 1 . . . . . . . . 6477 1 52 . 1 1 4 4 C C1' C 13 93.584 . . 1 . . . . . . . . 6477 1 53 . 1 1 4 4 C C2' C 13 70.868 . . 1 . . . . . . . . 6477 1 54 . 1 1 4 4 C C3' C 13 71.882 . . 1 . . . . . . . . 6477 1 55 . 1 1 4 4 C C4' C 13 74.170 . . 1 . . . . . . . . 6477 1 56 . 1 1 5 5 U H3 H 1 14.325 . . 1 . . . . . . . . 6477 1 57 . 1 1 5 5 U H5 H 1 5.384 . . 1 . . . . . . . . 6477 1 58 . 1 1 5 5 U H6 H 1 7.805 . . 1 . . . . . . . . 6477 1 59 . 1 1 5 5 U C5 C 13 102.910 . . 1 . . . . . . . . 6477 1 60 . 1 1 5 5 U C6 C 13 141.238 . . 1 . . . . . . . . 6477 1 61 . 1 1 5 5 U N3 N 15 162.419 . . 1 . . . . . . . . 6477 1 62 . 1 1 5 5 U H1' H 1 5.584 . . 1 . . . . . . . . 6477 1 63 . 1 1 5 5 U H2' H 1 4.470 . . 1 . . . . . . . . 6477 1 64 . 1 1 5 5 U H3' H 1 4.514 . . 1 . . . . . . . . 6477 1 65 . 1 1 5 5 U H4' H 1 4.446 . . 1 . . . . . . . . 6477 1 66 . 1 1 5 5 U C1' C 13 93.356 . . 1 . . . . . . . . 6477 1 67 . 1 1 5 5 U C2' C 13 72.019 . . 1 . . . . . . . . 6477 1 68 . 1 1 5 5 U C3' C 13 75.132 . . 1 . . . . . . . . 6477 1 69 . 1 1 5 5 U C4' C 13 81.899 . . 1 . . . . . . . . 6477 1 70 . 1 1 6 6 G H1 H 1 12.696 . . 1 . . . . . . . . 6477 1 71 . 1 1 6 6 G H21 H 1 7.776 . . 1 . . . . . . . . 6477 1 72 . 1 1 6 6 G H22 H 1 6.743 . . 1 . . . . . . . . 6477 1 73 . 1 1 6 6 G H8 H 1 7.811 . . 1 . . . . . . . . 6477 1 74 . 1 1 6 6 G C8 C 13 136.582 . . 1 . . . . . . . . 6477 1 75 . 1 1 6 6 G N1 N 15 148.081 . . 1 . . . . . . . . 6477 1 76 . 1 1 6 6 G N2 N 15 76.688 . . 1 . . . . . . . . 6477 1 77 . 1 1 6 6 G H1' H 1 5.882 . . 1 . . . . . . . . 6477 1 78 . 1 1 6 6 G H2' H 1 3.979 . . 1 . . . . . . . . 6477 1 79 . 1 1 6 6 G H3' H 1 4.784 . . 1 . . . . . . . . 6477 1 80 . 1 1 6 6 G H4' H 1 4.525 . . 1 . . . . . . . . 6477 1 81 . 1 1 6 6 G C1' C 13 91.543 . . 1 . . . . . . . . 6477 1 82 . 1 1 6 6 G C2' C 13 76.723 . . 1 . . . . . . . . 6477 1 83 . 1 1 6 6 G C3' C 13 72.746 . . 1 . . . . . . . . 6477 1 84 . 1 1 6 6 G C4' C 13 81.605 . . 1 . . . . . . . . 6477 1 85 . 1 1 7 7 U H3 H 1 12.747 . . 1 . . . . . . . . 6477 1 86 . 1 1 7 7 U H5 H 1 5.761 . . 1 . . . . . . . . 6477 1 87 . 1 1 7 7 U H6 H 1 7.822 . . 1 . . . . . . . . 6477 1 88 . 1 1 7 7 U C5 C 13 104.989 . . 1 . . . . . . . . 6477 1 89 . 1 1 7 7 U C6 C 13 142.198 . . 1 . . . . . . . . 6477 1 90 . 1 1 7 7 U N3 N 15 160.487 . . 1 . . . . . . . . 6477 1 91 . 1 1 7 7 U H1' H 1 5.339 . . 1 . . . . . . . . 6477 1 92 . 1 1 7 7 U H2' H 1 4.344 . . 1 . . . . . . . . 6477 1 93 . 1 1 7 7 U H3' H 1 4.263 . . 1 . . . . . . . . 6477 1 94 . 1 1 7 7 U H4' H 1 4.429 . . 1 . . . . . . . . 6477 1 95 . 1 1 7 7 U C1' C 13 93.880 . . 1 . . . . . . . . 6477 1 96 . 1 1 7 7 U C2' C 13 74.787 . . 1 . . . . . . . . 6477 1 97 . 1 1 7 7 U C3' C 13 72.204 . . 1 . . . . . . . . 6477 1 98 . 1 1 7 7 U C4' C 13 82.326 . . 1 . . . . . . . . 6477 1 99 . 1 1 8 8 U H3 H 1 12.711 . . 1 . . . . . . . . 6477 1 100 . 1 1 8 8 U H5 H 1 5.471 . . 1 . . . . . . . . 6477 1 101 . 1 1 8 8 U H6 H 1 7.961 . . 1 . . . . . . . . 6477 1 102 . 1 1 8 8 U C5 C 13 103.599 . . 1 . . . . . . . . 6477 1 103 . 1 1 8 8 U C6 C 13 141.993 . . 1 . . . . . . . . 6477 1 104 . 1 1 8 8 U N3 N 15 160.888 . . 1 . . . . . . . . 6477 1 105 . 1 1 8 8 U H1' H 1 5.803 . . 1 . . . . . . . . 6477 1 106 . 1 1 8 8 U H2' H 1 4.696 . . 1 . . . . . . . . 6477 1 107 . 1 1 8 8 U H3' H 1 4.388 . . 1 . . . . . . . . 6477 1 108 . 1 1 8 8 U H4' H 1 4.386 . . 1 . . . . . . . . 6477 1 109 . 1 1 8 8 U C1' C 13 93.476 . . 1 . . . . . . . . 6477 1 110 . 1 1 8 8 U C2' C 13 75.328 . . 1 . . . . . . . . 6477 1 111 . 1 1 8 8 U C3' C 13 71.778 . . 1 . . . . . . . . 6477 1 112 . 1 1 8 8 U C4' C 13 81.459 . . 1 . . . . . . . . 6477 1 113 . 1 1 9 9 U H3 H 1 12.205 . . 1 . . . . . . . . 6477 1 114 . 1 1 9 9 U H5 H 1 5.442 . . 1 . . . . . . . . 6477 1 115 . 1 1 9 9 U H6 H 1 7.535 . . 1 . . . . . . . . 6477 1 116 . 1 1 9 9 U C5 C 13 103.688 . . 1 . . . . . . . . 6477 1 117 . 1 1 9 9 U C6 C 13 141.077 . . 1 . . . . . . . . 6477 1 118 . 1 1 9 9 U N3 N 15 159.872 . . 1 . . . . . . . . 6477 1 119 . 1 1 9 9 U H1' H 1 5.422 . . 1 . . . . . . . . 6477 1 120 . 1 1 9 9 U H2' H 1 4.482 . . 1 . . . . . . . . 6477 1 121 . 1 1 9 9 U H3' H 1 4.048 . . 1 . . . . . . . . 6477 1 122 . 1 1 9 9 U H4' H 1 4.487 . . 1 . . . . . . . . 6477 1 123 . 1 1 9 9 U C1' C 13 94.570 . . 1 . . . . . . . . 6477 1 124 . 1 1 9 9 U C2' C 13 75.143 . . 1 . . . . . . . . 6477 1 125 . 1 1 9 9 U C3' C 13 73.259 . . 1 . . . . . . . . 6477 1 126 . 1 1 9 9 U C4' C 13 82.277 . . 1 . . . . . . . . 6477 1 127 . 1 1 10 10 U H3 H 1 11.737 . . 1 . . . . . . . . 6477 1 128 . 1 1 10 10 U H5 H 1 5.369 . . 1 . . . . . . . . 6477 1 129 . 1 1 10 10 U H6 H 1 7.441 . . 1 . . . . . . . . 6477 1 130 . 1 1 10 10 U C5 C 13 103.218 . . 1 . . . . . . . . 6477 1 131 . 1 1 10 10 U C6 C 13 140.807 . . 1 . . . . . . . . 6477 1 132 . 1 1 10 10 U N3 N 15 159.220 . . 1 . . . . . . . . 6477 1 133 . 1 1 10 10 U H1' H 1 5.235 . . 1 . . . . . . . . 6477 1 134 . 1 1 10 10 U H2' H 1 4.257 . . 1 . . . . . . . . 6477 1 135 . 1 1 10 10 U H3' H 1 4.214 . . 1 . . . . . . . . 6477 1 136 . 1 1 10 10 U H4' H 1 4.375 . . 1 . . . . . . . . 6477 1 137 . 1 1 10 10 U C1' C 13 94.494 . . 1 . . . . . . . . 6477 1 138 . 1 1 10 10 U C2' C 13 75.463 . . 1 . . . . . . . . 6477 1 139 . 1 1 10 10 U C3' C 13 71.850 . . 1 . . . . . . . . 6477 1 140 . 1 1 10 10 U C4' C 13 81.664 . . 1 . . . . . . . . 6477 1 141 . 1 1 11 11 U H3 H 1 11.822 . . 1 . . . . . . . . 6477 1 142 . 1 1 11 11 U H5 H 1 5.468 . . 1 . . . . . . . . 6477 1 143 . 1 1 11 11 U H6 H 1 7.457 . . 1 . . . . . . . . 6477 1 144 . 1 1 11 11 U C5 C 13 102.787 . . 1 . . . . . . . . 6477 1 145 . 1 1 11 11 U C6 C 13 141.184 . . 1 . . . . . . . . 6477 1 146 . 1 1 11 11 U N3 N 15 157.576 . . 1 . . . . . . . . 6477 1 147 . 1 1 11 11 U H1' H 1 5.974 . . 1 . . . . . . . . 6477 1 148 . 1 1 11 11 U H2' H 1 4.639 . . 1 . . . . . . . . 6477 1 149 . 1 1 11 11 U H3' H 1 4.392 . . 1 . . . . . . . . 6477 1 150 . 1 1 11 11 U H4' H 1 4.475 . . 1 . . . . . . . . 6477 1 151 . 1 1 11 11 U H5' H 1 4.270 . . 2 . . . . . . . . 6477 1 152 . 1 1 11 11 U H5'' H 1 4.139 . . 2 . . . . . . . . 6477 1 153 . 1 1 11 11 U C1' C 13 90.913 . . 1 . . . . . . . . 6477 1 154 . 1 1 11 11 U C2' C 13 75.903 . . 1 . . . . . . . . 6477 1 155 . 1 1 11 11 U C3' C 13 75.783 . . 1 . . . . . . . . 6477 1 156 . 1 1 11 11 U C4' C 13 84.618 . . 1 . . . . . . . . 6477 1 157 . 1 1 11 11 U C5' C 13 66.825 . . 1 . . . . . . . . 6477 1 158 . 1 1 12 12 C H5 H 1 5.897 . . 1 . . . . . . . . 6477 1 159 . 1 1 12 12 C H6 H 1 7.939 . . 1 . . . . . . . . 6477 1 160 . 1 1 12 12 C C5 C 13 98.451 . . 1 . . . . . . . . 6477 1 161 . 1 1 12 12 C C6 C 13 142.511 . . 1 . . . . . . . . 6477 1 162 . 1 1 12 12 C H1' H 1 5.609 . . 1 . . . . . . . . 6477 1 163 . 1 1 12 12 C H2' H 1 4.210 . . 1 . . . . . . . . 6477 1 164 . 1 1 12 12 C H3' H 1 4.512 . . 1 . . . . . . . . 6477 1 165 . 1 1 12 12 C H4' H 1 4.422 . . 1 . . . . . . . . 6477 1 166 . 1 1 12 12 C C1' C 13 92.554 . . 1 . . . . . . . . 6477 1 167 . 1 1 12 12 C C2' C 13 75.800 . . 1 . . . . . . . . 6477 1 168 . 1 1 12 12 C C3' C 13 73.768 . . 1 . . . . . . . . 6477 1 169 . 1 1 12 12 C C4' C 13 83.059 . . 1 . . . . . . . . 6477 1 170 . 1 1 13 13 U H3 H 1 13.328 . . 1 . . . . . . . . 6477 1 171 . 1 1 13 13 U H5 H 1 5.348 . . 1 . . . . . . . . 6477 1 172 . 1 1 13 13 U H6 H 1 7.583 . . 1 . . . . . . . . 6477 1 173 . 1 1 13 13 U C5 C 13 104.081 . . 1 . . . . . . . . 6477 1 174 . 1 1 13 13 U N3 N 15 161.726 . . 1 . . . . . . . . 6477 1 175 . 1 1 13 13 U H1' H 1 5.476 . . 1 . . . . . . . . 6477 1 176 . 1 1 13 13 U H2' H 1 4.186 . . 1 . . . . . . . . 6477 1 177 . 1 1 13 13 U H3' H 1 4.472 . . 1 . . . . . . . . 6477 1 178 . 1 1 13 13 U H4' H 1 4.362 . . 1 . . . . . . . . 6477 1 179 . 1 1 13 13 U C1' C 13 93.364 . . 1 . . . . . . . . 6477 1 180 . 1 1 13 13 U C2' C 13 75.932 . . 1 . . . . . . . . 6477 1 181 . 1 1 13 13 U C3' C 13 72.475 . . 1 . . . . . . . . 6477 1 182 . 1 1 13 13 U C4' C 13 82.539 . . 1 . . . . . . . . 6477 1 183 . 1 1 14 14 C H5 H 1 5.865 . . 1 . . . . . . . . 6477 1 184 . 1 1 14 14 C H6 H 1 7.885 . . 1 . . . . . . . . 6477 1 185 . 1 1 14 14 C C5 C 13 99.098 . . 1 . . . . . . . . 6477 1 186 . 1 1 14 14 C C6 C 13 143.320 . . 1 . . . . . . . . 6477 1 187 . 1 1 14 14 C H1' H 1 5.921 . . 1 . . . . . . . . 6477 1 188 . 1 1 14 14 C H2' H 1 4.423 . . 1 . . . . . . . . 6477 1 189 . 1 1 14 14 C H3' H 1 4.652 . . 1 . . . . . . . . 6477 1 190 . 1 1 14 14 C H4' H 1 4.465 . . 1 . . . . . . . . 6477 1 191 . 1 1 14 14 C C1' C 13 92.211 . . 1 . . . . . . . . 6477 1 192 . 1 1 14 14 C C2' C 13 75.578 . . 1 . . . . . . . . 6477 1 193 . 1 1 14 14 C C3' C 13 75.300 . . 1 . . . . . . . . 6477 1 194 . 1 1 14 14 C C4' C 13 84.113 . . 1 . . . . . . . . 6477 1 195 . 1 1 15 15 G H1 H 1 11.226 . . 1 . . . . . . . . 6477 1 196 . 1 1 15 15 G H8 H 1 8.023 . . 1 . . . . . . . . 6477 1 197 . 1 1 15 15 G C8 C 13 138.134 . . 1 . . . . . . . . 6477 1 198 . 1 1 15 15 G N1 N 15 144.026 . . 1 . . . . . . . . 6477 1 199 . 1 1 15 15 G H1' H 1 5.813 . . 1 . . . . . . . . 6477 1 200 . 1 1 15 15 G H2' H 1 4.753 . . 1 . . . . . . . . 6477 1 201 . 1 1 15 15 G H3' H 1 4.774 . . 1 . . . . . . . . 6477 1 202 . 1 1 15 15 G H4' H 1 4.532 . . 1 . . . . . . . . 6477 1 203 . 1 1 15 15 G C1' C 13 91.725 . . 1 . . . . . . . . 6477 1 204 . 1 1 15 15 G C2' C 13 74.659 . . 1 . . . . . . . . 6477 1 205 . 1 1 15 15 G C3' C 13 74.487 . . 1 . . . . . . . . 6477 1 206 . 1 1 15 15 G C4' C 13 83.172 . . 1 . . . . . . . . 6477 1 207 . 1 1 16 16 C H41 H 1 8.415 . . 1 . . . . . . . . 6477 1 208 . 1 1 16 16 C H42 H 1 6.604 . . 1 . . . . . . . . 6477 1 209 . 1 1 16 16 C H5 H 1 5.494 . . 1 . . . . . . . . 6477 1 210 . 1 1 16 16 C H6 H 1 7.664 . . 1 . . . . . . . . 6477 1 211 . 1 1 16 16 C N3 N 15 196.550 . . 1 . . . . . . . . 6477 1 212 . 1 1 16 16 C N4 N 15 93.428 . . 1 . . . . . . . . 6477 1 213 . 1 1 16 16 C H1' H 1 5.505 . . 1 . . . . . . . . 6477 1 214 . 1 1 16 16 C H2' H 1 4.399 . . 1 . . . . . . . . 6477 1 215 . 1 1 16 16 C H3' H 1 4.427 . . 1 . . . . . . . . 6477 1 216 . 1 1 16 16 C H4' H 1 4.383 . . 1 . . . . . . . . 6477 1 217 . 1 1 16 16 C C1' C 13 92.849 . . 1 . . . . . . . . 6477 1 218 . 1 1 16 16 C C2' C 13 76.004 . . 1 . . . . . . . . 6477 1 219 . 1 1 16 16 C C3' C 13 72.209 . . 1 . . . . . . . . 6477 1 220 . 1 1 16 16 C C4' C 13 81.336 . . 1 . . . . . . . . 6477 1 221 . 1 1 17 17 U H3 H 1 13.466 . . 1 . . . . . . . . 6477 1 222 . 1 1 17 17 U H5 H 1 5.443 . . 1 . . . . . . . . 6477 1 223 . 1 1 17 17 U H6 H 1 7.818 . . 1 . . . . . . . . 6477 1 224 . 1 1 17 17 U C5 C 13 104.135 . . 1 . . . . . . . . 6477 1 225 . 1 1 17 17 U C6 C 13 143.449 . . 1 . . . . . . . . 6477 1 226 . 1 1 17 17 U N3 N 15 161.241 . . 1 . . . . . . . . 6477 1 227 . 1 1 17 17 U H1' H 1 5.563 . . 1 . . . . . . . . 6477 1 228 . 1 1 17 17 U H2' H 1 4.701 . . 1 . . . . . . . . 6477 1 229 . 1 1 17 17 U H3' H 1 4.575 . . 1 . . . . . . . . 6477 1 230 . 1 1 17 17 U H4' H 1 4.442 . . 1 . . . . . . . . 6477 1 231 . 1 1 17 17 U C1' C 13 93.527 . . 1 . . . . . . . . 6477 1 232 . 1 1 17 17 U C2' C 13 75.335 . . 1 . . . . . . . . 6477 1 233 . 1 1 17 17 U C3' C 13 72.279 . . 1 . . . . . . . . 6477 1 234 . 1 1 17 17 U C4' C 13 81.834 . . 1 . . . . . . . . 6477 1 235 . 1 1 18 18 G H1 H 1 11.777 . . 1 . . . . . . . . 6477 1 236 . 1 1 18 18 G H8 H 1 7.698 . . 1 . . . . . . . . 6477 1 237 . 1 1 18 18 G C8 C 13 136.289 . . 1 . . . . . . . . 6477 1 238 . 1 1 18 18 G N1 N 15 145.565 . . 1 . . . . . . . . 6477 1 239 . 1 1 18 18 G N2 N 15 73.758 . . 1 . . . . . . . . 6477 1 240 . 1 1 18 18 G H1' H 1 5.731 . . 1 . . . . . . . . 6477 1 241 . 1 1 18 18 G H2' H 1 4.571 . . 1 . . . . . . . . 6477 1 242 . 1 1 18 18 G H3' H 1 4.601 . . 1 . . . . . . . . 6477 1 243 . 1 1 18 18 G H4' H 1 4.532 . . 1 . . . . . . . . 6477 1 244 . 1 1 18 18 G C1' C 13 92.590 . . 1 . . . . . . . . 6477 1 245 . 1 1 18 18 G C2' C 13 75.255 . . 1 . . . . . . . . 6477 1 246 . 1 1 18 18 G C3' C 13 72.803 . . 1 . . . . . . . . 6477 1 247 . 1 1 18 18 G C4' C 13 81.864 . . 1 . . . . . . . . 6477 1 248 . 1 1 19 19 A H2 H 1 7.743 . . 1 . . . . . . . . 6477 1 249 . 1 1 19 19 A H8 H 1 7.831 . . 1 . . . . . . . . 6477 1 250 . 1 1 19 19 A C2 C 13 153.866 . . 1 . . . . . . . . 6477 1 251 . 1 1 19 19 A C8 C 13 139.186 . . 1 . . . . . . . . 6477 1 252 . 1 1 19 19 A N1 N 15 222.083 . . 1 . . . . . . . . 6477 1 253 . 1 1 19 19 A N3 N 15 213.214 . . 1 . . . . . . . . 6477 1 254 . 1 1 19 19 A N6 N 15 83.778 . . 1 . . . . . . . . 6477 1 255 . 1 1 19 19 A H1' H 1 5.946 . . 1 . . . . . . . . 6477 1 256 . 1 1 19 19 A H2' H 1 4.655 . . 1 . . . . . . . . 6477 1 257 . 1 1 19 19 A H3' H 1 4.536 . . 1 . . . . . . . . 6477 1 258 . 1 1 19 19 A H4' H 1 4.485 . . 1 . . . . . . . . 6477 1 259 . 1 1 19 19 A C1' C 13 92.615 . . 1 . . . . . . . . 6477 1 260 . 1 1 19 19 A C2' C 13 75.331 . . 1 . . . . . . . . 6477 1 261 . 1 1 19 19 A C3' C 13 72.139 . . 1 . . . . . . . . 6477 1 262 . 1 1 19 19 A C4' C 13 81.661 . . 1 . . . . . . . . 6477 1 263 . 1 1 20 20 C H41 H 1 8.219 . . 1 . . . . . . . . 6477 1 264 . 1 1 20 20 C H42 H 1 7.142 . . 1 . . . . . . . . 6477 1 265 . 1 1 20 20 C H5 H 1 5.239 . . 1 . . . . . . . . 6477 1 266 . 1 1 20 20 C H6 H 1 7.150 . . 1 . . . . . . . . 6477 1 267 . 1 1 20 20 C C5 C 13 97.420 . . 1 . . . . . . . . 6477 1 268 . 1 1 20 20 C C6 C 13 140.192 . . 1 . . . . . . . . 6477 1 269 . 1 1 20 20 C N3 N 15 197.706 . . 1 . . . . . . . . 6477 1 270 . 1 1 20 20 C N4 N 15 96.693 . . 1 . . . . . . . . 6477 1 271 . 1 1 20 20 C H1' H 1 5.282 . . 1 . . . . . . . . 6477 1 272 . 1 1 20 20 C H2' H 1 4.198 . . 1 . . . . . . . . 6477 1 273 . 1 1 20 20 C H3' H 1 4.202 . . 1 . . . . . . . . 6477 1 274 . 1 1 20 20 C H4' H 1 4.415 . . 1 . . . . . . . . 6477 1 275 . 1 1 20 20 C C1' C 13 93.780 . . 1 . . . . . . . . 6477 1 276 . 1 1 20 20 C C2' C 13 75.511 . . 1 . . . . . . . . 6477 1 277 . 1 1 20 20 C C3' C 13 72.416 . . 1 . . . . . . . . 6477 1 278 . 1 1 20 20 C C4' C 13 81.610 . . 1 . . . . . . . . 6477 1 279 . 1 1 21 21 U H3 H 1 13.684 . . 1 . . . . . . . . 6477 1 280 . 1 1 21 21 U H5 H 1 5.321 . . 1 . . . . . . . . 6477 1 281 . 1 1 21 21 U H6 H 1 7.696 . . 1 . . . . . . . . 6477 1 282 . 1 1 21 21 U C5 C 13 103.596 . . 1 . . . . . . . . 6477 1 283 . 1 1 21 21 U C6 C 13 141.993 . . 1 . . . . . . . . 6477 1 284 . 1 1 21 21 U N3 N 15 161.903 . . 1 . . . . . . . . 6477 1 285 . 1 1 21 21 U H1' H 1 5.598 . . 1 . . . . . . . . 6477 1 286 . 1 1 21 21 U H2' H 1 4.559 . . 1 . . . . . . . . 6477 1 287 . 1 1 21 21 U H3' H 1 4.428 . . 1 . . . . . . . . 6477 1 288 . 1 1 21 21 U H4' H 1 4.450 . . 1 . . . . . . . . 6477 1 289 . 1 1 21 21 U C1' C 13 93.749 . . 1 . . . . . . . . 6477 1 290 . 1 1 21 21 U C2' C 13 75.077 . . 1 . . . . . . . . 6477 1 291 . 1 1 21 21 U C3' C 13 72.249 . . 1 . . . . . . . . 6477 1 292 . 1 1 21 21 U C4' C 13 81.985 . . 1 . . . . . . . . 6477 1 293 . 1 1 22 22 U H3 H 1 13.482 . . 1 . . . . . . . . 6477 1 294 . 1 1 22 22 U H5 H 1 5.689 . . 1 . . . . . . . . 6477 1 295 . 1 1 22 22 U H6 H 1 7.835 . . 1 . . . . . . . . 6477 1 296 . 1 1 22 22 U C5 C 13 104.998 . . 1 . . . . . . . . 6477 1 297 . 1 1 22 22 U C6 C 13 142.964 . . 1 . . . . . . . . 6477 1 298 . 1 1 22 22 U N3 N 15 162.818 . . 1 . . . . . . . . 6477 1 299 . 1 1 22 22 U H1' H 1 5.623 . . 1 . . . . . . . . 6477 1 300 . 1 1 22 22 U H2' H 1 4.647 . . 1 . . . . . . . . 6477 1 301 . 1 1 22 22 U H3' H 1 4.427 . . 1 . . . . . . . . 6477 1 302 . 1 1 22 22 U H4' H 1 4.522 . . 1 . . . . . . . . 6477 1 303 . 1 1 22 22 U C1' C 13 93.650 . . 1 . . . . . . . . 6477 1 304 . 1 1 22 22 U C2' C 13 74.984 . . 1 . . . . . . . . 6477 1 305 . 1 1 22 22 U C3' C 13 72.196 . . 1 . . . . . . . . 6477 1 306 . 1 1 22 22 U C4' C 13 81.966 . . 1 . . . . . . . . 6477 1 307 . 1 1 23 23 U H3 H 1 13.643 . . 1 . . . . . . . . 6477 1 308 . 1 1 23 23 U H5 H 1 5.062 . . 1 . . . . . . . . 6477 1 309 . 1 1 23 23 U H6 H 1 7.551 . . 1 . . . . . . . . 6477 1 310 . 1 1 23 23 U C5 C 13 102.140 . . 1 . . . . . . . . 6477 1 311 . 1 1 23 23 U C6 C 13 139.998 . . 1 . . . . . . . . 6477 1 312 . 1 1 23 23 U N3 N 15 161.849 . . 1 . . . . . . . . 6477 1 313 . 1 1 23 23 U H1' H 1 5.374 . . 1 . . . . . . . . 6477 1 314 . 1 1 23 23 U H2' H 1 4.650 . . 1 . . . . . . . . 6477 1 315 . 1 1 23 23 U H3' H 1 4.286 . . 1 . . . . . . . . 6477 1 316 . 1 1 23 23 U H4' H 1 4.517 . . 1 . . . . . . . . 6477 1 317 . 1 1 23 23 U C1' C 13 93.552 . . 1 . . . . . . . . 6477 1 318 . 1 1 23 23 U C2' C 13 75.587 . . 1 . . . . . . . . 6477 1 319 . 1 1 23 23 U C3' C 13 72.209 . . 1 . . . . . . . . 6477 1 320 . 1 1 23 23 U C4' C 13 82.110 . . 1 . . . . . . . . 6477 1 321 . 1 1 24 24 C H41 H 1 8.562 . . 1 . . . . . . . . 6477 1 322 . 1 1 24 24 C H42 H 1 7.240 . . 1 . . . . . . . . 6477 1 323 . 1 1 24 24 C H5 H 1 6.056 . . 1 . . . . . . . . 6477 1 324 . 1 1 24 24 C H6 H 1 8.283 . . 1 . . . . . . . . 6477 1 325 . 1 1 24 24 C C5 C 13 99.799 . . 1 . . . . . . . . 6477 1 326 . 1 1 24 24 C C6 C 13 141.594 . . 1 . . . . . . . . 6477 1 327 . 1 1 24 24 C N3 N 15 197.224 . . 1 . . . . . . . . 6477 1 328 . 1 1 24 24 C N4 N 15 96.435 . . 1 . . . . . . . . 6477 1 329 . 1 1 24 24 C H1' H 1 5.134 . . 1 . . . . . . . . 6477 1 330 . 1 1 24 24 C H2' H 1 4.571 . . 1 . . . . . . . . 6477 1 331 . 1 1 24 24 C H3' H 1 4.717 . . 1 . . . . . . . . 6477 1 332 . 1 1 24 24 C H4' H 1 4.475 . . 1 . . . . . . . . 6477 1 333 . 1 1 24 24 C C1' C 13 94.957 . . 1 . . . . . . . . 6477 1 334 . 1 1 24 24 C C2' C 13 73.655 . . 1 . . . . . . . . 6477 1 335 . 1 1 24 24 C C3' C 13 71.572 . . 1 . . . . . . . . 6477 1 336 . 1 1 24 24 C C4' C 13 82.146 . . 1 . . . . . . . . 6477 1 337 . 1 1 25 25 A H2 H 1 7.149 . . 1 . . . . . . . . 6477 1 338 . 1 1 25 25 A H8 H 1 8.136 . . 1 . . . . . . . . 6477 1 339 . 1 1 25 25 A C2 C 13 152.635 . . 1 . . . . . . . . 6477 1 340 . 1 1 25 25 A C8 C 13 139.303 . . 1 . . . . . . . . 6477 1 341 . 1 1 25 25 A N1 N 15 216.687 . . 1 . . . . . . . . 6477 1 342 . 1 1 25 25 A N6 N 15 80.731 . . 1 . . . . . . . . 6477 1 343 . 1 1 25 25 A H1' H 1 6.047 . . 1 . . . . . . . . 6477 1 344 . 1 1 25 25 A H2' H 1 4.773 . . 1 . . . . . . . . 6477 1 345 . 1 1 25 25 A H3' H 1 4.846 . . 1 . . . . . . . . 6477 1 346 . 1 1 25 25 A H4' H 1 4.280 . . 1 . . . . . . . . 6477 1 347 . 1 1 25 25 A C1' C 13 92.516 . . 1 . . . . . . . . 6477 1 348 . 1 1 25 25 A C2' C 13 74.405 . . 1 . . . . . . . . 6477 1 349 . 1 1 25 25 A C3' C 13 71.318 . . 1 . . . . . . . . 6477 1 350 . 1 1 25 25 A C4' C 13 81.554 . . 1 . . . . . . . . 6477 1 351 . 1 1 26 26 G H1 H 1 13.660 . . 1 . . . . . . . . 6477 1 352 . 1 1 26 26 G H8 H 1 7.240 . . 1 . . . . . . . . 6477 1 353 . 1 1 26 26 G C8 C 13 135.056 . . 1 . . . . . . . . 6477 1 354 . 1 1 26 26 G N1 N 15 147.620 . . 1 . . . . . . . . 6477 1 355 . 1 1 26 26 G N2 N 15 77.039 . . 1 . . . . . . . . 6477 1 356 . 1 1 26 26 G H1' H 1 5.461 . . 1 . . . . . . . . 6477 1 357 . 1 1 26 26 G H2' H 1 4.781 . . 1 . . . . . . . . 6477 1 358 . 1 1 26 26 G H3' H 1 4.405 . . 1 . . . . . . . . 6477 1 359 . 1 1 26 26 G H4' H 1 3.823 . . 1 . . . . . . . . 6477 1 360 . 1 1 26 26 G C1' C 13 92.038 . . 1 . . . . . . . . 6477 1 361 . 1 1 26 26 G C2' C 13 74.926 . . 1 . . . . . . . . 6477 1 362 . 1 1 26 26 G C3' C 13 71.861 . . 1 . . . . . . . . 6477 1 363 . 1 1 26 26 G C4' C 13 80.948 . . 1 . . . . . . . . 6477 1 364 . 1 1 27 27 C H41 H 1 8.207 . . 1 . . . . . . . . 6477 1 365 . 1 1 27 27 C H42 H 1 6.898 . . 1 . . . . . . . . 6477 1 366 . 1 1 27 27 C H5 H 1 5.392 . . 1 . . . . . . . . 6477 1 367 . 1 1 27 27 C H6 H 1 7.187 . . 1 . . . . . . . . 6477 1 368 . 1 1 27 27 C C5 C 13 97.370 . . 1 . . . . . . . . 6477 1 369 . 1 1 27 27 C C6 C 13 140.623 . . 1 . . . . . . . . 6477 1 370 . 1 1 27 27 C N3 N 15 199.922 . . 1 . . . . . . . . 6477 1 371 . 1 1 27 27 C N4 N 15 93.739 . . 1 . . . . . . . . 6477 1 372 . 1 1 27 27 C H1' H 1 5.402 . . 1 . . . . . . . . 6477 1 373 . 1 1 27 27 C H2' H 1 4.424 . . 1 . . . . . . . . 6477 1 374 . 1 1 27 27 C H3' H 1 4.110 . . 1 . . . . . . . . 6477 1 375 . 1 1 27 27 C H4' H 1 4.234 . . 1 . . . . . . . . 6477 1 376 . 1 1 27 27 C C1' C 13 94.810 . . 1 . . . . . . . . 6477 1 377 . 1 1 27 27 C C2' C 13 75.258 . . 1 . . . . . . . . 6477 1 378 . 1 1 27 27 C C3' C 13 73.024 . . 1 . . . . . . . . 6477 1 379 . 1 1 27 27 C C4' C 13 81.589 . . 1 . . . . . . . . 6477 1 380 . 1 1 28 28 C H41 H 1 8.392 . . 1 . . . . . . . . 6477 1 381 . 1 1 28 28 C H42 H 1 6.934 . . 1 . . . . . . . . 6477 1 382 . 1 1 28 28 C H5 H 1 5.427 . . 1 . . . . . . . . 6477 1 383 . 1 1 28 28 C H6 H 1 7.868 . . 1 . . . . . . . . 6477 1 384 . 1 1 28 28 C C5 C 13 96.563 . . 1 . . . . . . . . 6477 1 385 . 1 1 28 28 C C6 C 13 142.295 . . 1 . . . . . . . . 6477 1 386 . 1 1 28 28 C N3 N 15 197.899 . . 1 . . . . . . . . 6477 1 387 . 1 1 28 28 C N4 N 15 98.230 . . 1 . . . . . . . . 6477 1 388 . 1 1 28 28 C H1' H 1 6.303 . . 1 . . . . . . . . 6477 1 389 . 1 1 28 28 C H2' H 1 4.595 . . 1 . . . . . . . . 6477 1 390 . 1 1 28 28 C H3' H 1 4.501 . . 1 . . . . . . . . 6477 1 391 . 1 1 28 28 C H4' H 1 4.625 . . 1 . . . . . . . . 6477 1 392 . 1 1 28 28 C C1' C 13 95.153 . . 1 . . . . . . . . 6477 1 393 . 1 1 28 28 C C2' C 13 74.003 . . 1 . . . . . . . . 6477 1 394 . 1 1 28 28 C C3' C 13 72.124 . . 1 . . . . . . . . 6477 1 395 . 1 1 28 28 C C4' C 13 81.969 . . 1 . . . . . . . . 6477 1 396 . 1 1 29 29 C H5 H 1 5.651 . . 1 . . . . . . . . 6477 1 397 . 1 1 29 29 C H6 H 1 7.881 . . 1 . . . . . . . . 6477 1 398 . 1 1 29 29 C C5 C 13 99.098 . . 1 . . . . . . . . 6477 1 399 . 1 1 29 29 C C6 C 13 143.643 . . 1 . . . . . . . . 6477 1 400 . 1 1 29 29 C H1' H 1 6.125 . . 1 . . . . . . . . 6477 1 401 . 1 1 29 29 C H2' H 1 4.174 . . 1 . . . . . . . . 6477 1 402 . 1 1 29 29 C H3' H 1 4.544 . . 1 . . . . . . . . 6477 1 403 . 1 1 29 29 C H4' H 1 3.898 . . 1 . . . . . . . . 6477 1 404 . 1 1 29 29 C C1' C 13 89.515 . . 1 . . . . . . . . 6477 1 405 . 1 1 29 29 C C2' C 13 76.614 . . 1 . . . . . . . . 6477 1 406 . 1 1 29 29 C C3' C 13 79.555 . . 1 . . . . . . . . 6477 1 407 . 1 1 29 29 C C4' C 13 84.732 . . 1 . . . . . . . . 6477 1 408 . 1 1 30 30 C H5 H 1 6.048 . . 1 . . . . . . . . 6477 1 409 . 1 1 30 30 C H6 H 1 7.366 . . 1 . . . . . . . . 6477 1 410 . 1 1 30 30 C C5 C 13 99.100 . . 1 . . . . . . . . 6477 1 411 . 1 1 30 30 C C6 C 13 143.374 . . 1 . . . . . . . . 6477 1 412 . 1 1 30 30 C H1' H 1 5.475 . . 1 . . . . . . . . 6477 1 413 . 1 1 30 30 C H2' H 1 4.409 . . 1 . . . . . . . . 6477 1 414 . 1 1 30 30 C H3' H 1 4.113 . . 1 . . . . . . . . 6477 1 415 . 1 1 30 30 C H4' H 1 3.871 . . 1 . . . . . . . . 6477 1 416 . 1 1 30 30 C H5' H 1 3.572 . . 2 . . . . . . . . 6477 1 417 . 1 1 30 30 C H5'' H 1 3.205 . . 2 . . . . . . . . 6477 1 418 . 1 1 30 30 C C1' C 13 90.790 . . 1 . . . . . . . . 6477 1 419 . 1 1 30 30 C C2' C 13 78.405 . . 1 . . . . . . . . 6477 1 420 . 1 1 30 30 C C3' C 13 76.449 . . 1 . . . . . . . . 6477 1 421 . 1 1 30 30 C C4' C 13 83.350 . . 1 . . . . . . . . 6477 1 422 . 1 1 30 30 C C5' C 13 66.310 . . 1 . . . . . . . . 6477 1 423 . 1 1 31 31 A H2 H 1 8.157 . . 1 . . . . . . . . 6477 1 424 . 1 1 31 31 A H8 H 1 8.088 . . 1 . . . . . . . . 6477 1 425 . 1 1 31 31 A C2 C 13 155.361 . . 1 . . . . . . . . 6477 1 426 . 1 1 31 31 A C8 C 13 140.768 . . 1 . . . . . . . . 6477 1 427 . 1 1 31 31 A N1 N 15 225.854 . . 1 . . . . . . . . 6477 1 428 . 1 1 31 31 A N3 N 15 214.231 . . 1 . . . . . . . . 6477 1 429 . 1 1 31 31 A H1' H 1 5.518 . . 1 . . . . . . . . 6477 1 430 . 1 1 31 31 A H2' H 1 4.284 . . 1 . . . . . . . . 6477 1 431 . 1 1 31 31 A H3' H 1 4.626 . . 1 . . . . . . . . 6477 1 432 . 1 1 31 31 A H4' H 1 4.449 . . 1 . . . . . . . . 6477 1 433 . 1 1 31 31 A H5' H 1 4.054 . . 2 . . . . . . . . 6477 1 434 . 1 1 31 31 A H5'' H 1 4.007 . . 2 . . . . . . . . 6477 1 435 . 1 1 31 31 A C1' C 13 87.602 . . 1 . . . . . . . . 6477 1 436 . 1 1 31 31 A C2' C 13 73.476 . . 1 . . . . . . . . 6477 1 437 . 1 1 31 31 A C3' C 13 75.266 . . 1 . . . . . . . . 6477 1 438 . 1 1 31 31 A C4' C 13 83.830 . . 1 . . . . . . . . 6477 1 439 . 1 1 31 31 A C5' C 13 68.860 . . 1 . . . . . . . . 6477 1 440 . 1 1 32 32 A H2 H 1 8.492 . . 1 . . . . . . . . 6477 1 441 . 1 1 32 32 A H8 H 1 8.243 . . 1 . . . . . . . . 6477 1 442 . 1 1 32 32 A C2 C 13 157.412 . . 1 . . . . . . . . 6477 1 443 . 1 1 32 32 A C8 C 13 142.438 . . 1 . . . . . . . . 6477 1 444 . 1 1 32 32 A H1' H 1 6.267 . . 1 . . . . . . . . 6477 1 445 . 1 1 32 32 A H2' H 1 4.718 . . 1 . . . . . . . . 6477 1 446 . 1 1 32 32 A H3' H 1 4.949 . . 1 . . . . . . . . 6477 1 447 . 1 1 32 32 A H4' H 1 4.426 . . 1 . . . . . . . . 6477 1 448 . 1 1 32 32 A C1' C 13 92.516 . . 1 . . . . . . . . 6477 1 449 . 1 1 32 32 A C2' C 13 76.164 . . 1 . . . . . . . . 6477 1 450 . 1 1 32 32 A C3' C 13 75.399 . . 1 . . . . . . . . 6477 1 451 . 1 1 32 32 A C4' C 13 83.090 . . 1 . . . . . . . . 6477 1 452 . 1 1 33 33 A H2 H 1 8.005 . . 1 . . . . . . . . 6477 1 453 . 1 1 33 33 A H8 H 1 8.344 . . 1 . . . . . . . . 6477 1 454 . 1 1 33 33 A C2 C 13 154.540 . . 1 . . . . . . . . 6477 1 455 . 1 1 33 33 A C8 C 13 140.416 . . 1 . . . . . . . . 6477 1 456 . 1 1 33 33 A N1 N 15 223.857 . . 1 . . . . . . . . 6477 1 457 . 1 1 33 33 A N3 N 15 213.832 . . 1 . . . . . . . . 6477 1 458 . 1 1 33 33 A H1' H 1 6.081 . . 1 . . . . . . . . 6477 1 459 . 1 1 33 33 A H2' H 1 4.662 . . 1 . . . . . . . . 6477 1 460 . 1 1 33 33 A H3' H 1 4.725 . . 1 . . . . . . . . 6477 1 461 . 1 1 33 33 A H4' H 1 4.589 . . 1 . . . . . . . . 6477 1 462 . 1 1 33 33 A C1' C 13 93.008 . . 1 . . . . . . . . 6477 1 463 . 1 1 33 33 A C2' C 13 75.784 . . 1 . . . . . . . . 6477 1 464 . 1 1 33 33 A C3' C 13 72.565 . . 1 . . . . . . . . 6477 1 465 . 1 1 33 33 A C4' C 13 81.971 . . 1 . . . . . . . . 6477 1 466 . 1 1 34 34 C H5 H 1 5.208 . . 1 . . . . . . . . 6477 1 467 . 1 1 34 34 C H6 H 1 7.467 . . 1 . . . . . . . . 6477 1 468 . 1 1 34 34 C C5 C 13 96.941 . . 1 . . . . . . . . 6477 1 469 . 1 1 34 34 C C6 C 13 140.623 . . 1 . . . . . . . . 6477 1 470 . 1 1 34 34 C H1' H 1 5.519 . . 1 . . . . . . . . 6477 1 471 . 1 1 34 34 C H2' H 1 4.339 . . 1 . . . . . . . . 6477 1 472 . 1 1 34 34 C H3' H 1 4.398 . . 1 . . . . . . . . 6477 1 473 . 1 1 34 34 C H4' H 1 4.359 . . 1 . . . . . . . . 6477 1 474 . 1 1 34 34 C C1' C 13 93.682 . . 1 . . . . . . . . 6477 1 475 . 1 1 34 34 C C2' C 13 75.444 . . 1 . . . . . . . . 6477 1 476 . 1 1 34 34 C C3' C 13 72.022 . . 1 . . . . . . . . 6477 1 477 . 1 1 34 34 C C4' C 13 81.770 . . 1 . . . . . . . . 6477 1 478 . 1 1 35 35 A H2 H 1 7.463 . . 1 . . . . . . . . 6477 1 479 . 1 1 35 35 A H61 H 1 7.708 . . 1 . . . . . . . . 6477 1 480 . 1 1 35 35 A H62 H 1 6.894 . . 1 . . . . . . . . 6477 1 481 . 1 1 35 35 A H8 H 1 7.886 . . 1 . . . . . . . . 6477 1 482 . 1 1 35 35 A C2 C 13 152.430 . . 1 . . . . . . . . 6477 1 483 . 1 1 35 35 A C8 C 13 139.625 . . 1 . . . . . . . . 6477 1 484 . 1 1 35 35 A N1 N 15 219.171 . . 1 . . . . . . . . 6477 1 485 . 1 1 35 35 A N3 N 15 213.977 . . 1 . . . . . . . . 6477 1 486 . 1 1 35 35 A N6 N 15 82.352 . . 1 . . . . . . . . 6477 1 487 . 1 1 35 35 A H1' H 1 5.444 . . 1 . . . . . . . . 6477 1 488 . 1 1 35 35 A H2' H 1 4.878 . . 1 . . . . . . . . 6477 1 489 . 1 1 35 35 A H3' H 1 4.481 . . 1 . . . . . . . . 6477 1 490 . 1 1 35 35 A H4' H 1 4.480 . . 1 . . . . . . . . 6477 1 491 . 1 1 35 35 A C1' C 13 94.777 . . 1 . . . . . . . . 6477 1 492 . 1 1 35 35 A C2' C 13 74.249 . . 1 . . . . . . . . 6477 1 493 . 1 1 35 35 A C3' C 13 73.876 . . 1 . . . . . . . . 6477 1 494 . 1 1 35 35 A C4' C 13 83.817 . . 1 . . . . . . . . 6477 1 495 . 1 1 36 36 A H2 H 1 7.177 . . 1 . . . . . . . . 6477 1 496 . 1 1 36 36 A H61 H 1 8.639 . . 1 . . . . . . . . 6477 1 497 . 1 1 36 36 A H62 H 1 6.396 . . 1 . . . . . . . . 6477 1 498 . 1 1 36 36 A H8 H 1 7.888 . . 1 . . . . . . . . 6477 1 499 . 1 1 36 36 A C2 C 13 154.774 . . 1 . . . . . . . . 6477 1 500 . 1 1 36 36 A C8 C 13 141.706 . . 1 . . . . . . . . 6477 1 501 . 1 1 36 36 A N6 N 15 82.738 . . 1 . . . . . . . . 6477 1 502 . 1 1 36 36 A H1' H 1 5.720 . . 1 . . . . . . . . 6477 1 503 . 1 1 36 36 A H2' H 1 4.112 . . 1 . . . . . . . . 6477 1 504 . 1 1 36 36 A H3' H 1 4.932 . . 1 . . . . . . . . 6477 1 505 . 1 1 36 36 A H4' H 1 4.424 . . 1 . . . . . . . . 6477 1 506 . 1 1 36 36 A C1' C 13 92.320 . . 1 . . . . . . . . 6477 1 507 . 1 1 36 36 A C2' C 13 76.800 . . 1 . . . . . . . . 6477 1 508 . 1 1 36 36 A C3' C 13 72.809 . . 1 . . . . . . . . 6477 1 509 . 1 1 36 36 A C4' C 13 82.359 . . 1 . . . . . . . . 6477 1 510 . 1 1 37 37 A H2 H 1 7.726 . . 1 . . . . . . . . 6477 1 511 . 1 1 37 37 A H61 H 1 7.950 . . 1 . . . . . . . . 6477 1 512 . 1 1 37 37 A H62 H 1 7.216 . . 1 . . . . . . . . 6477 1 513 . 1 1 37 37 A H8 H 1 7.729 . . 1 . . . . . . . . 6477 1 514 . 1 1 37 37 A C2 C 13 154.319 . . 1 . . . . . . . . 6477 1 515 . 1 1 37 37 A C8 C 13 140.533 . . 1 . . . . . . . . 6477 1 516 . 1 1 37 37 A N1 N 15 218.626 . . 1 . . . . . . . . 6477 1 517 . 1 1 37 37 A N3 N 15 211.398 . . 1 . . . . . . . . 6477 1 518 . 1 1 37 37 A N6 N 15 83.540 . . 1 . . . . . . . . 6477 1 519 . 1 1 37 37 A N7 N 15 228.345 . . 1 . . . . . . . . 6477 1 520 . 1 1 37 37 A H1' H 1 6.148 . . 1 . . . . . . . . 6477 1 521 . 1 1 37 37 A H2' H 1 4.993 . . 1 . . . . . . . . 6477 1 522 . 1 1 37 37 A H3' H 1 4.821 . . 1 . . . . . . . . 6477 1 523 . 1 1 37 37 A H4' H 1 4.669 . . 1 . . . . . . . . 6477 1 524 . 1 1 37 37 A C1' C 13 91.307 . . 1 . . . . . . . . 6477 1 525 . 1 1 37 37 A C2' C 13 75.064 . . 1 . . . . . . . . 6477 1 526 . 1 1 37 37 A C3' C 13 76.374 . . 1 . . . . . . . . 6477 1 527 . 1 1 37 37 A C4' C 13 83.524 . . 1 . . . . . . . . 6477 1 528 . 1 1 38 38 A H2 H 1 7.444 . . 1 . . . . . . . . 6477 1 529 . 1 1 38 38 A H61 H 1 8.081 . . 1 . . . . . . . . 6477 1 530 . 1 1 38 38 A H62 H 1 6.696 . . 1 . . . . . . . . 6477 1 531 . 1 1 38 38 A H8 H 1 7.358 . . 1 . . . . . . . . 6477 1 532 . 1 1 38 38 A C2 C 13 153.427 . . 1 . . . . . . . . 6477 1 533 . 1 1 38 38 A C8 C 13 139.830 . . 1 . . . . . . . . 6477 1 534 . 1 1 38 38 A N1 N 15 221.215 . . 1 . . . . . . . . 6477 1 535 . 1 1 38 38 A N3 N 15 212.016 . . 1 . . . . . . . . 6477 1 536 . 1 1 38 38 A N6 N 15 84.376 . . 1 . . . . . . . . 6477 1 537 . 1 1 38 38 A N7 N 15 228.634 . . 1 . . . . . . . . 6477 1 538 . 1 1 38 38 A H1' H 1 5.913 . . 1 . . . . . . . . 6477 1 539 . 1 1 38 38 A H2' H 1 4.706 . . 1 . . . . . . . . 6477 1 540 . 1 1 38 38 A H3' H 1 4.813 . . 1 . . . . . . . . 6477 1 541 . 1 1 38 38 A H4' H 1 4.633 . . 1 . . . . . . . . 6477 1 542 . 1 1 38 38 A C1' C 13 92.025 . . 1 . . . . . . . . 6477 1 543 . 1 1 38 38 A C2' C 13 76.255 . . 1 . . . . . . . . 6477 1 544 . 1 1 38 38 A C3' C 13 76.328 . . 1 . . . . . . . . 6477 1 545 . 1 1 38 38 A C4' C 13 85.076 . . 1 . . . . . . . . 6477 1 546 . 1 1 39 39 A H2 H 1 7.066 . . 1 . . . . . . . . 6477 1 547 . 1 1 39 39 A H61 H 1 7.823 . . 1 . . . . . . . . 6477 1 548 . 1 1 39 39 A H62 H 1 7.354 . . 1 . . . . . . . . 6477 1 549 . 1 1 39 39 A H8 H 1 7.272 . . 1 . . . . . . . . 6477 1 550 . 1 1 39 39 A C2 C 13 152.373 . . 1 . . . . . . . . 6477 1 551 . 1 1 39 39 A C8 C 13 139.566 . . 1 . . . . . . . . 6477 1 552 . 1 1 39 39 A N1 N 15 220.252 . . 1 . . . . . . . . 6477 1 553 . 1 1 39 39 A N3 N 15 214.849 . . 1 . . . . . . . . 6477 1 554 . 1 1 39 39 A N6 N 15 83.016 . . 1 . . . . . . . . 6477 1 555 . 1 1 39 39 A H1' H 1 6.025 . . 1 . . . . . . . . 6477 1 556 . 1 1 39 39 A H2' H 1 4.882 . . 1 . . . . . . . . 6477 1 557 . 1 1 39 39 A H3' H 1 4.792 . . 1 . . . . . . . . 6477 1 558 . 1 1 39 39 A H4' H 1 4.551 . . 1 . . . . . . . . 6477 1 559 . 1 1 39 39 A C1' C 13 93.106 . . 1 . . . . . . . . 6477 1 560 . 1 1 39 39 A C2' C 13 75.991 . . 1 . . . . . . . . 6477 1 561 . 1 1 39 39 A C3' C 13 74.921 . . 1 . . . . . . . . 6477 1 562 . 1 1 39 39 A C4' C 13 83.879 . . 1 . . . . . . . . 6477 1 563 . 1 1 40 40 A H2 H 1 7.616 . . 1 . . . . . . . . 6477 1 564 . 1 1 40 40 A H61 H 1 7.800 . . 1 . . . . . . . . 6477 1 565 . 1 1 40 40 A H62 H 1 7.565 . . 1 . . . . . . . . 6477 1 566 . 1 1 40 40 A H8 H 1 7.377 . . 1 . . . . . . . . 6477 1 567 . 1 1 40 40 A C2 C 13 153.046 . . 1 . . . . . . . . 6477 1 568 . 1 1 40 40 A C8 C 13 139.361 . . 1 . . . . . . . . 6477 1 569 . 1 1 40 40 A N1 N 15 220.541 . . 1 . . . . . . . . 6477 1 570 . 1 1 40 40 A N3 N 15 213.396 . . 1 . . . . . . . . 6477 1 571 . 1 1 40 40 A N6 N 15 82.313 . . 1 . . . . . . . . 6477 1 572 . 1 1 40 40 A H1' H 1 6.092 . . 1 . . . . . . . . 6477 1 573 . 1 1 40 40 A H2' H 1 5.043 . . 1 . . . . . . . . 6477 1 574 . 1 1 40 40 A H3' H 1 4.635 . . 1 . . . . . . . . 6477 1 575 . 1 1 40 40 A H4' H 1 4.622 . . 1 . . . . . . . . 6477 1 576 . 1 1 40 40 A C1' C 13 93.794 . . 1 . . . . . . . . 6477 1 577 . 1 1 40 40 A C2' C 13 76.174 . . 1 . . . . . . . . 6477 1 578 . 1 1 40 40 A C3' C 13 74.848 . . 1 . . . . . . . . 6477 1 579 . 1 1 40 40 A C4' C 13 83.153 . . 1 . . . . . . . . 6477 1 580 . 1 1 41 41 G H1 H 1 13.406 . . 1 . . . . . . . . 6477 1 581 . 1 1 41 41 G H21 H 1 8.832 . . 1 . . . . . . . . 6477 1 582 . 1 1 41 41 G H22 H 1 6.415 . . 1 . . . . . . . . 6477 1 583 . 1 1 41 41 G H8 H 1 7.142 . . 1 . . . . . . . . 6477 1 584 . 1 1 41 41 G C8 C 13 137.530 . . 1 . . . . . . . . 6477 1 585 . 1 1 41 41 G N1 N 15 148.191 . . 1 . . . . . . . . 6477 1 586 . 1 1 41 41 G N2 N 15 74.109 . . 1 . . . . . . . . 6477 1 587 . 1 1 41 41 G H1' H 1 5.702 . . 1 . . . . . . . . 6477 1 588 . 1 1 41 41 G H2' H 1 4.587 . . 1 . . . . . . . . 6477 1 589 . 1 1 41 41 G H3' H 1 4.190 . . 1 . . . . . . . . 6477 1 590 . 1 1 41 41 G H4' H 1 4.627 . . 1 . . . . . . . . 6477 1 591 . 1 1 41 41 G C1' C 13 93.538 . . 1 . . . . . . . . 6477 1 592 . 1 1 41 41 G C2' C 13 75.199 . . 1 . . . . . . . . 6477 1 593 . 1 1 41 41 G C3' C 13 74.556 . . 1 . . . . . . . . 6477 1 594 . 1 1 41 41 G C4' C 13 82.598 . . 1 . . . . . . . . 6477 1 595 . 1 1 42 42 U H3 H 1 14.289 . . 1 . . . . . . . . 6477 1 596 . 1 1 42 42 U H5 H 1 5.076 . . 1 . . . . . . . . 6477 1 597 . 1 1 42 42 U H6 H 1 7.796 . . 1 . . . . . . . . 6477 1 598 . 1 1 42 42 U C6 C 13 142.971 . . 1 . . . . . . . . 6477 1 599 . 1 1 42 42 U N3 N 15 162.323 . . 1 . . . . . . . . 6477 1 600 . 1 1 42 42 U H1' H 1 5.665 . . 1 . . . . . . . . 6477 1 601 . 1 1 42 42 U H2' H 1 4.643 . . 1 . . . . . . . . 6477 1 602 . 1 1 42 42 U H3' H 1 4.524 . . 1 . . . . . . . . 6477 1 603 . 1 1 42 42 U H4' H 1 4.497 . . 1 . . . . . . . . 6477 1 604 . 1 1 42 42 U C1' C 13 93.947 . . 1 . . . . . . . . 6477 1 605 . 1 1 42 42 U C2' C 13 75.093 . . 1 . . . . . . . . 6477 1 606 . 1 1 42 42 U C3' C 13 72.100 . . 1 . . . . . . . . 6477 1 607 . 1 1 42 42 U C4' C 13 82.240 . . 1 . . . . . . . . 6477 1 608 . 1 1 43 43 C H41 H 1 8.390 . . 1 . . . . . . . . 6477 1 609 . 1 1 43 43 C H42 H 1 7.167 . . 1 . . . . . . . . 6477 1 610 . 1 1 43 43 C H5 H 1 5.692 . . 1 . . . . . . . . 6477 1 611 . 1 1 43 43 C H6 H 1 7.841 . . 1 . . . . . . . . 6477 1 612 . 1 1 43 43 C C5 C 13 98.019 . . 1 . . . . . . . . 6477 1 613 . 1 1 43 43 C C6 C 13 141.432 . . 1 . . . . . . . . 6477 1 614 . 1 1 43 43 C N3 N 15 196.839 . . 1 . . . . . . . . 6477 1 615 . 1 1 43 43 C N4 N 15 96.728 . . 1 . . . . . . . . 6477 1 616 . 1 1 43 43 C H1' H 1 5.572 . . 1 . . . . . . . . 6477 1 617 . 1 1 43 43 C H2' H 1 4.652 . . 1 . . . . . . . . 6477 1 618 . 1 1 43 43 C H3' H 1 4.416 . . 1 . . . . . . . . 6477 1 619 . 1 1 43 43 C H4' H 1 4.496 . . 1 . . . . . . . . 6477 1 620 . 1 1 43 43 C C1' C 13 94.172 . . 1 . . . . . . . . 6477 1 621 . 1 1 43 43 C C2' C 13 72.573 . . 1 . . . . . . . . 6477 1 622 . 1 1 43 43 C C3' C 13 72.353 . . 1 . . . . . . . . 6477 1 623 . 1 1 43 43 C C4' C 13 81.914 . . 1 . . . . . . . . 6477 1 624 . 1 1 44 44 A H2 H 1 6.991 . . 1 . . . . . . . . 6477 1 625 . 1 1 44 44 A H8 H 1 8.083 . . 1 . . . . . . . . 6477 1 626 . 1 1 44 44 A C2 C 13 152.460 . . 1 . . . . . . . . 6477 1 627 . 1 1 44 44 A C8 C 13 92.811 . . 1 . . . . . . . . 6477 1 628 . 1 1 44 44 A N1 N 15 218.807 . . 1 . . . . . . . . 6477 1 629 . 1 1 44 44 A N3 N 15 212.524 . . 1 . . . . . . . . 6477 1 630 . 1 1 44 44 A N6 N 15 81.668 . . 1 . . . . . . . . 6477 1 631 . 1 1 44 44 A H1' H 1 5.880 . . 1 . . . . . . . . 6477 1 632 . 1 1 44 44 A H2' H 1 4.707 . . 1 . . . . . . . . 6477 1 633 . 1 1 44 44 A H3' H 1 4.704 . . 1 . . . . . . . . 6477 1 634 . 1 1 44 44 A H4' H 1 4.532 . . 1 . . . . . . . . 6477 1 635 . 1 1 44 44 A C1' C 13 92.811 . . 1 . . . . . . . . 6477 1 636 . 1 1 44 44 A C2' C 13 72.261 . . 1 . . . . . . . . 6477 1 637 . 1 1 44 44 A C3' C 13 72.605 . . 1 . . . . . . . . 6477 1 638 . 1 1 44 44 A C4' C 13 81.623 . . 1 . . . . . . . . 6477 1 639 . 1 1 45 45 G H1 H 1 13.519 . . 1 . . . . . . . . 6477 1 640 . 1 1 45 45 G H8 H 1 7.335 . . 1 . . . . . . . . 6477 1 641 . 1 1 45 45 G C8 C 13 135.593 . . 1 . . . . . . . . 6477 1 642 . 1 1 45 45 G N1 N 15 147.630 . . 1 . . . . . . . . 6477 1 643 . 1 1 45 45 G H1' H 1 5.643 . . 1 . . . . . . . . 6477 1 644 . 1 1 45 45 G H2' H 1 4.396 . . 1 . . . . . . . . 6477 1 645 . 1 1 45 45 G H3' H 1 4.486 . . 1 . . . . . . . . 6477 1 646 . 1 1 45 45 G H4' H 1 4.441 . . 1 . . . . . . . . 6477 1 647 . 1 1 45 45 G C1' C 13 92.533 . . 1 . . . . . . . . 6477 1 648 . 1 1 45 45 G C2' C 13 75.232 . . 1 . . . . . . . . 6477 1 649 . 1 1 45 45 G C3' C 13 72.059 . . 1 . . . . . . . . 6477 1 650 . 1 1 45 45 G C4' C 13 81.808 . . 1 . . . . . . . . 6477 1 651 . 1 1 46 46 C H41 H 1 8.672 . . 1 . . . . . . . . 6477 1 652 . 1 1 46 46 C H42 H 1 7.236 . . 1 . . . . . . . . 6477 1 653 . 1 1 46 46 C H5 H 1 5.373 . . 1 . . . . . . . . 6477 1 654 . 1 1 46 46 C H6 H 1 7.809 . . 1 . . . . . . . . 6477 1 655 . 1 1 46 46 C C5 C 13 97.372 . . 1 . . . . . . . . 6477 1 656 . 1 1 46 46 C C6 C 13 141.648 . . 1 . . . . . . . . 6477 1 657 . 1 1 46 46 C N4 N 15 98.525 . . 1 . . . . . . . . 6477 1 658 . 1 1 46 46 C H1' H 1 5.772 . . 1 . . . . . . . . 6477 1 659 . 1 1 46 46 C H2' H 1 3.996 . . 1 . . . . . . . . 6477 1 660 . 1 1 46 46 C H3' H 1 4.163 . . 1 . . . . . . . . 6477 1 661 . 1 1 46 46 C H4' H 1 4.180 . . 1 . . . . . . . . 6477 1 662 . 1 1 46 46 C C1' C 13 92.603 . . 1 . . . . . . . . 6477 1 663 . 1 1 46 46 C C2' C 13 77.552 . . 1 . . . . . . . . 6477 1 664 . 1 1 46 46 C C3' C 13 69.674 . . 1 . . . . . . . . 6477 1 665 . 1 1 46 46 C C4' C 13 83.481 . . 1 . . . . . . . . 6477 1 666 . 1 1 47 47 A H2 H 1 7.666 . . 1 . . . . . . . . 6477 1 667 . 1 1 47 47 A H8 H 1 8.222 . . 1 . . . . . . . . 6477 1 668 . 1 1 47 47 A C2 C 13 154.921 . . 1 . . . . . . . . 6477 1 669 . 1 1 47 47 A C8 C 13 141.090 . . 1 . . . . . . . . 6477 1 670 . 1 1 47 47 A N1 N 15 224.684 . . 1 . . . . . . . . 6477 1 671 . 1 1 47 47 A N3 N 15 214.631 . . 1 . . . . . . . . 6477 1 672 . 1 1 47 47 A H1' H 1 5.968 . . 1 . . . . . . . . 6477 1 673 . 1 1 47 47 A H2' H 1 4.231 . . 1 . . . . . . . . 6477 1 674 . 1 1 47 47 A H3' H 1 4.363 . . 1 . . . . . . . . 6477 1 675 . 1 1 47 47 A H4' H 1 4.276 . . 1 . . . . . . . . 6477 1 676 . 1 1 47 47 A H5' H 1 4.395 . . 2 . . . . . . . . 6477 1 677 . 1 1 47 47 A H5'' H 1 4.075 . . 2 . . . . . . . . 6477 1 678 . 1 1 47 47 A C1' C 13 90.618 . . 1 . . . . . . . . 6477 1 679 . 1 1 47 47 A C2' C 13 77.551 . . 1 . . . . . . . . 6477 1 680 . 1 1 47 47 A C3' C 13 71.201 . . 1 . . . . . . . . 6477 1 681 . 1 1 47 47 A C4' C 13 84.878 . . 1 . . . . . . . . 6477 1 682 . 1 1 47 47 A C5' C 13 66.364 . . 1 . . . . . . . . 6477 1 stop_ save_