data_19698 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19698 _Entry.Title ; Solution NMR structure of a preQ1 Class II riboswitch from Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-20 _Entry.Accession_date 2013-12-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mijeong Kang . . . 19698 2 Catherine Eichhorn . D. . 19698 3 Juli Feigon . . . 19698 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19698 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID classII . 19698 preQ1 . 19698 pseudoknot . 19698 riboswitch . 19698 'Streptococcus pneumoniae' . 19698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 19698 '15N chemical shifts' 20 19698 '1H chemical shifts' 620 19698 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 3 . . 2014-04-01 2013-12-20 update BMRB 'update entry citation' 19698 2 . . 2014-02-03 2013-12-20 update author 'update entry' 19698 1 . . 2014-01-27 2013-12-20 original author 'original release' 19698 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MIY 'BMRB Entry Tracking System' 19698 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19698 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24469808 _Citation.Full_citation . _Citation.Title 'Structural determinants for ligand capture by a class II preQ1 riboswitch.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 111 _Citation.Journal_issue 6 _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 E663 _Citation.Page_last E671 _Citation.Year 2014 _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 Mijeong Kang . . . 19698 1 2 Catherine Eichhorn . D. . 19698 1 3 Juli Feigon . . . 19698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19698 _Assembly.ID 1 _Assembly.Name 'preQ1 Class II riboswitch from Streptococcus pneumoniae' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (59-MER)' 1 $RNA_(59-MER) A . yes native no no . . . 19698 1 2 7-DEAZA-7-AMINOMETHYL-GUANINE 2 $entity_PRF B . yes native no no . . . 19698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(59-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(59-MER) _Entity.Entry_ID 19698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(59-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCUUGGUGCUUAGCUUCUUU CACCAAGCAUAUUACACGCG GAUAACCGCCAAAGGAGAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18903.389 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 G . 19698 1 2 1 C . 19698 1 3 2 U . 19698 1 4 3 U . 19698 1 5 4 G . 19698 1 6 5 G . 19698 1 7 6 U . 19698 1 8 7 G . 19698 1 9 8 C . 19698 1 10 9 U . 19698 1 11 10 U . 19698 1 12 11 A . 19698 1 13 12 G . 19698 1 14 13 C . 19698 1 15 14 U . 19698 1 16 15 U . 19698 1 17 16 C . 19698 1 18 17 U . 19698 1 19 18 U . 19698 1 20 19 U . 19698 1 21 20 C . 19698 1 22 21 A . 19698 1 23 22 C . 19698 1 24 23 C . 19698 1 25 24 A . 19698 1 26 25 A . 19698 1 27 26 G . 19698 1 28 27 C . 19698 1 29 28 A . 19698 1 30 29 U . 19698 1 31 30 A . 19698 1 32 31 U . 19698 1 33 32 U . 19698 1 34 33 A . 19698 1 35 34 C . 19698 1 36 35 A . 19698 1 37 36 C . 19698 1 38 37 G . 19698 1 39 38 C . 19698 1 40 39 G . 19698 1 41 40 G . 19698 1 42 41 A . 19698 1 43 42 U . 19698 1 44 43 A . 19698 1 45 44 A . 19698 1 46 45 C . 19698 1 47 46 C . 19698 1 48 47 G . 19698 1 49 48 C . 19698 1 50 49 C . 19698 1 51 50 A . 19698 1 52 51 A . 19698 1 53 52 A . 19698 1 54 53 G . 19698 1 55 54 G . 19698 1 56 55 A . 19698 1 57 56 G . 19698 1 58 57 A . 19698 1 59 58 A . 19698 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 19698 1 . C 2 2 19698 1 . U 3 3 19698 1 . U 4 4 19698 1 . G 5 5 19698 1 . G 6 6 19698 1 . U 7 7 19698 1 . G 8 8 19698 1 . C 9 9 19698 1 . U 10 10 19698 1 . U 11 11 19698 1 . A 12 12 19698 1 . G 13 13 19698 1 . C 14 14 19698 1 . U 15 15 19698 1 . U 16 16 19698 1 . C 17 17 19698 1 . U 18 18 19698 1 . U 19 19 19698 1 . U 20 20 19698 1 . C 21 21 19698 1 . A 22 22 19698 1 . C 23 23 19698 1 . C 24 24 19698 1 . A 25 25 19698 1 . A 26 26 19698 1 . G 27 27 19698 1 . C 28 28 19698 1 . A 29 29 19698 1 . U 30 30 19698 1 . A 31 31 19698 1 . U 32 32 19698 1 . U 33 33 19698 1 . A 34 34 19698 1 . C 35 35 19698 1 . A 36 36 19698 1 . C 37 37 19698 1 . G 38 38 19698 1 . C 39 39 19698 1 . G 40 40 19698 1 . G 41 41 19698 1 . A 42 42 19698 1 . U 43 43 19698 1 . A 44 44 19698 1 . A 45 45 19698 1 . C 46 46 19698 1 . C 47 47 19698 1 . G 48 48 19698 1 . C 49 49 19698 1 . C 50 50 19698 1 . A 51 51 19698 1 . A 52 52 19698 1 . A 53 53 19698 1 . G 54 54 19698 1 . G 55 55 19698 1 . A 56 56 19698 1 . G 57 57 19698 1 . A 58 58 19698 1 . A 59 59 19698 1 stop_ save_ save_entity_PRF _Entity.Sf_category entity _Entity.Sf_framecode entity_PRF _Entity.Entry_ID 19698 _Entity.ID 2 _Entity.BMRB_code PRF _Entity.Name 7-DEAZA-7-AMINOMETHYL-GUANINE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 179.179 _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 7-DEAZA-7-AMINOMETHYL-GUANINE BMRB 19698 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 7-DEAZA-7-AMINOMETHYL-GUANINE BMRB 19698 2 PRF 'Three letter code' 19698 2 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 1 PRF $chem_comp_PRF 19698 2 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 19698 _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 $RNA_(59-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'In vitro synthesis' . . 19698 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 19698 _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 $RNA_(59-MER) . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19698 1 2 2 $entity_PRF . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19698 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PRF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PRF _Chem_comp.Entry_ID 19698 _Chem_comp.ID PRF _Chem_comp.Provenance PDB _Chem_comp.Name 7-DEAZA-7-AMINOMETHYL-GUANINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PRF _Chem_comp.PDB_code PRF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PRF _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 13 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C7 H9 N5 O' _Chem_comp.Formula_weight 179.179 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EFZ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1c(c2c([nH]1)N=C(NC2=O)N)CN SMILES 'OpenEye OEToolkits' 1.5.0 19698 PRF c1c(c2c([nH]1)N=C(NC2=O)N)CN SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19698 PRF InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) InChI InChI 1.03 19698 PRF MEYMBLGOKYDGLZ-UHFFFAOYSA-N InChIKey InChI 1.03 19698 PRF NCc1c[nH]c2N=C(N)NC(=O)c12 SMILES CACTVS 3.341 19698 PRF NCc1c[nH]c2N=C(N)NC(=O)c12 SMILES_CANONICAL CACTVS 3.341 19698 PRF O=C1c2c(cnc2N=C(N1)N)CN SMILES ACDLabs 10.04 19698 PRF stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one 'SYSTEMATIC NAME' ACDLabs 10.04 19698 PRF 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19698 PRF stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 17.038 . 17.322 . 23.825 . 1.131 0.003 -1.926 1 . 19698 PRF C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 15.705 . 16.973 . 23.651 . -0.113 0.005 -2.482 2 . 19698 PRF N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 15.222 . 16.783 . 22.459 . -1.204 0.000 -1.751 3 . 19698 PRF C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 16.068 . 16.940 . 21.273 . -1.143 -0.005 -0.411 4 . 19698 PRF C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 17.352 . 17.283 . 21.400 . 0.110 -0.001 0.214 5 . 19698 PRF C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 17.897 . 17.489 . 22.765 . 1.276 -0.002 -0.582 6 . 19698 PRF O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 19.064 . 17.796 . 22.887 . 2.383 -0.003 -0.071 7 . 19698 PRF C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 17.829 . 17.333 . 20.009 . -0.149 -0.012 1.653 8 . 19698 PRF C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 19.202 . 17.662 . 19.513 . 0.881 -0.016 2.753 9 . 19698 PRF N11 N11 N11 N11 . N . . N 0 . . . 1 no no . . . . 19.497 . 17.720 . 18.057 . 0.204 -0.021 4.057 10 . 19698 PRF C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 16.788 . 17.024 . 19.253 . -1.483 -0.014 1.805 11 . 19698 PRF N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 15.770 . 16.798 . 20.015 . -2.087 -0.009 0.572 12 . 19698 PRF N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.972 . 16.846 . 24.706 . -0.230 0.011 -3.849 13 . 19698 PRF H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . 17.400 . 17.461 . 24.768 . 1.915 0.007 -2.497 14 . 19698 PRF H101 H101 H101 1H10 . H . . N 0 . . . 0 no no . . . . 19.511 . 18.632 . 19.967 . 1.503 0.874 2.670 15 . 19698 PRF H102 H102 H102 2H10 . H . . N 0 . . . 0 no no . . . . 19.919 . 16.950 . 19.983 . 1.505 -0.905 2.664 16 . 19698 PRF H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 20.432 . 17.944 . 17.718 . 0.929 -0.023 4.760 17 . 19698 PRF H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 18.840 . 18.371 . 17.626 . -0.275 0.862 4.139 18 . 19698 PRF H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 16.771 . 16.963 . 18.151 . -2.002 -0.018 2.752 19 . 19698 PRF HN91 HN91 HN91 1HN9 . H . . N 0 . . . 0 no no . . . . 14.846 . 16.539 . 19.667 . -3.046 -0.009 0.423 20 . 19698 PRF HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 13.993 . 16.589 . 24.578 . -1.108 0.012 -4.261 21 . 19698 PRF HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 15.024 . 17.703 . 25.256 . 0.565 0.014 -4.404 22 . 19698 PRF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 no N 1 . 19698 PRF 2 . SING N1 C6 no N 2 . 19698 PRF 3 . SING N1 H91 no N 3 . 19698 PRF 4 . DOUB C2 N3 no N 4 . 19698 PRF 5 . SING C2 N2 no N 5 . 19698 PRF 6 . SING N3 C4 no N 6 . 19698 PRF 7 . DOUB C4 C5 yes N 7 . 19698 PRF 8 . SING C4 N9 yes N 8 . 19698 PRF 9 . SING C5 C6 no N 9 . 19698 PRF 10 . SING C5 C7 yes N 10 . 19698 PRF 11 . DOUB C6 O6 no N 11 . 19698 PRF 12 . SING C7 C10 no N 12 . 19698 PRF 13 . DOUB C7 C8 yes N 13 . 19698 PRF 14 . SING C10 N11 no N 14 . 19698 PRF 15 . SING C10 H101 no N 15 . 19698 PRF 16 . SING C10 H102 no N 16 . 19698 PRF 17 . SING N11 H111 no N 17 . 19698 PRF 18 . SING N11 H112 no N 18 . 19698 PRF 19 . SING C8 N9 yes N 19 . 19698 PRF 20 . SING C8 H81 no N 20 . 19698 PRF 21 . SING N9 HN91 no N 21 . 19698 PRF 22 . SING N2 HN21 no N 22 . 19698 PRF 23 . SING N2 HN22 no N 23 . 19698 PRF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19698 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_H2O _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' 'natural abundance' . . 1 $RNA_(59-MER) . . . 1.0 1.2 mM . . . . 19698 1 2 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 1 3 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 1 4 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19698 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19698 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19698 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_D2O _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' 'natural abundance' . . 1 $RNA_(59-MER) . . . 1.0 1.2 mM . . . . 19698 2 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 2 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 2 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19698 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'classII_partially Deuterated' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-50% 2H' . . 1 $RNA_(59-MER) . . . 0.8 1.0 mM . . . . 19698 3 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 3 3 'calcium Chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 3 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 3 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19698 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_D2O_A _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-13C; U-15N]-Ade' . . 1 $RNA_(59-MER) . . . 1.0 1.2 mM . . . . 19698 4 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 4 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 4 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 4 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19698 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_D2O_G _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-13C; U-15N]-Gua' . . 1 $RNA_(59-MER) . . 1~1.2 . . mM . . . . 19698 5 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 5 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 5 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 5 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19698 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_D2O_C _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-13C; U-15N]-Cyt' . . 1 $RNA_(59-MER) . . 1~1.2 . . mM . . . . 19698 6 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 6 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 6 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 6 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19698 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_D2O_U _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-13C; U-15N]-Ura' . . 1 $RNA_(59-MER) . . 1~1.2 . . mM . . . . 19698 7 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 7 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 7 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 7 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19698 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19698 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details classII_H2O_full _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(59-MER) . . 1~1.2 . . mM . . . . 19698 8 2 'potassium chloride' 'natural abundance' . . . . . . 60 . . mM . . . . 19698 8 3 'calcium chloride' 'natural abundance' . . . . . . 3 . . mM . . . . 19698 8 4 7-DEAZA-7-AMINOMETHYL-GUANINE 'natural abundance' . . 2 $entity_PRF . . 2 . . mM . . . . 19698 8 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19698 8 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19698 8 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19698 _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' 66 . mM 19698 1 pH 6.15 0.15 pH 19698 1 pressure 1 . atm 19698 1 temperature 300 . K 19698 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19698 _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' 66 . mM 19698 2 pH 6.15 0.15 pH 19698 2 pressure 1 . atm 19698 2 temperature 310 . K 19698 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19698 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19698 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19698 1 'data analysis' 19698 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 19698 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19698 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19698 2 processing 19698 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19698 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19698 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19698 3 processing 19698 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19698 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19698 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19698 4 'structure solution' 19698 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19698 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19698 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19698 5 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 19698 _Software.ID 6 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19698 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19698 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19698 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19698 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19698 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 19698 1 2 spectrometer_2 Bruker Avance . 800 . . . 19698 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 19698 _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 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19698 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19698 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19698 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 7 $sample_7 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19698 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19698 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19698 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19698 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19698 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19698 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 19698 1 8 '2D 1H-1H NOESY' . . . 19698 1 9 '2D 1H-13C HSQC' . . . 19698 1 10 '2D 1H-15N HSQC' . . . 19698 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.645 0.005 . 1 . . . A -1 G H1 . 19698 1 2 . 1 1 1 1 G H1' H 1 5.675 0.005 . 1 . . . A -1 G H1' . 19698 1 3 . 1 1 1 1 G H8 H 1 8.085 0.005 . 1 . . . A -1 G H8 . 19698 1 4 . 1 1 1 1 G C8 C 13 139.858 0.005 . 1 . . . A -1 G C8 . 19698 1 5 . 1 1 1 1 G N1 N 15 148.144 0.005 . 1 . . . A -1 G N1 . 19698 1 6 . 1 1 2 2 C H1' H 1 5.519 0.005 . 1 . . . A 1 C H1' . 19698 1 7 . 1 1 2 2 C H2' H 1 4.381 0.005 . 1 . . . A 1 C H2' . 19698 1 8 . 1 1 2 2 C H5 H 1 5.258 0.005 . 1 . . . A 1 C H5 . 19698 1 9 . 1 1 2 2 C H6 H 1 7.917 0.005 . 1 . . . A 1 C H6 . 19698 1 10 . 1 1 2 2 C C5 C 13 94.493 0.005 . 1 . . . A 1 C C5 . 19698 1 11 . 1 1 2 2 C C6 C 13 142.9 0.005 . 1 . . . A 1 C C6 . 19698 1 12 . 1 1 3 3 U H1' H 1 5.522 0.005 . 1 . . . A 2 U H1' . 19698 1 13 . 1 1 3 3 U H2' H 1 4.397 0.005 . 1 . . . A 2 U H2' . 19698 1 14 . 1 1 3 3 U H3 H 1 13.937 0.005 . 1 . . . A 2 U H3 . 19698 1 15 . 1 1 3 3 U H5 H 1 5.308 0.005 . 1 . . . A 2 U H5 . 19698 1 16 . 1 1 3 3 U H6 H 1 7.934 0.005 . 1 . . . A 2 U H6 . 19698 1 17 . 1 1 3 3 U C1' C 13 93.785 0.005 . 1 . . . A 2 U C1' . 19698 1 18 . 1 1 3 3 U C5 C 13 101.09 0.005 . 1 . . . A 2 U C5 . 19698 1 19 . 1 1 3 3 U C6 C 13 142.572 0.005 . 1 . . . A 2 U C6 . 19698 1 20 . 1 1 3 3 U N3 N 15 161.956 0.005 . 1 . . . A 2 U N3 . 19698 1 21 . 1 1 4 4 U H1' H 1 5.637 0.005 . 1 . . . A 3 U H1' . 19698 1 22 . 1 1 4 4 U H2' H 1 4.499 0.005 . 1 . . . A 3 U H2' . 19698 1 23 . 1 1 4 4 U H3 H 1 13.099 0.005 . 1 . . . A 3 U H3 . 19698 1 24 . 1 1 4 4 U H5 H 1 5.55 0.005 . 1 . . . A 3 U H5 . 19698 1 25 . 1 1 4 4 U H6 H 1 8 0.005 . 1 . . . A 3 U H6 . 19698 1 26 . 1 1 4 4 U C1' C 13 93.512 0.005 . 1 . . . A 3 U C1' . 19698 1 27 . 1 1 4 4 U C5 C 13 101.413 0.005 . 1 . . . A 3 U C5 . 19698 1 28 . 1 1 4 4 U C6 C 13 142.232 0.005 . 1 . . . A 3 U C6 . 19698 1 29 . 1 1 4 4 U N3 N 15 161.689 0.005 . 1 . . . A 3 U N3 . 19698 1 30 . 1 1 5 5 G H1 H 1 11.922 0.005 . 1 . . . A 4 G H1 . 19698 1 31 . 1 1 5 5 G H1' H 1 5.728 0.005 . 1 . . . A 4 G H1' . 19698 1 32 . 1 1 5 5 G H2' H 1 4.499 0.005 . 1 . . . A 4 G H2' . 19698 1 33 . 1 1 5 5 G H3' H 1 4.569 0.005 . 1 . . . A 4 G H3' . 19698 1 34 . 1 1 5 5 G H8 H 1 7.62 0.005 . 1 . . . A 4 G H8 . 19698 1 35 . 1 1 5 5 G C1' C 13 92.664 0.005 . 1 . . . A 4 G C1' . 19698 1 36 . 1 1 5 5 G C8 C 13 136.43 0.005 . 1 . . . A 4 G C8 . 19698 1 37 . 1 1 6 6 G H1 H 1 13.172 0.005 . 1 . . . A 5 G H1 . 19698 1 38 . 1 1 6 6 G H1' H 1 5.532 0.005 . 1 . . . A 5 G H1' . 19698 1 39 . 1 1 6 6 G H2' H 1 4.432 0.005 . 1 . . . A 5 G H2' . 19698 1 40 . 1 1 6 6 G H3' H 1 4.303 0.005 . 1 . . . A 5 G H3' . 19698 1 41 . 1 1 6 6 G H5'' H 1 4.019 0.005 . 1 . . . A 5 G H5'' . 19698 1 42 . 1 1 6 6 G H8 H 1 7.097 0.005 . 1 . . . A 5 G H8 . 19698 1 43 . 1 1 6 6 G C1' C 13 93.288 0.005 . 1 . . . A 5 G C1' . 19698 1 44 . 1 1 6 6 G C8 C 13 136.25 0.005 . 1 . . . A 5 G C8 . 19698 1 45 . 1 1 6 6 G N1 N 15 146.435 0.005 . 1 . . . A 5 G N1 . 19698 1 46 . 1 1 7 7 U H1' H 1 5.342 0.005 . 1 . . . A 6 U H1' . 19698 1 47 . 1 1 7 7 U H2' H 1 4.3 0.005 . 1 . . . A 6 U H2' . 19698 1 48 . 1 1 7 7 U H3 H 1 14.117 0.005 . 1 . . . A 6 U H3 . 19698 1 49 . 1 1 7 7 U H5 H 1 5.032 0.005 . 1 . . . A 6 U H5 . 19698 1 50 . 1 1 7 7 U H5'' H 1 4.026 0.005 . 1 . . . A 6 U H5'' . 19698 1 51 . 1 1 7 7 U H6 H 1 7.43 0.005 . 1 . . . A 6 U H6 . 19698 1 52 . 1 1 7 7 U C1' C 13 94.19 0.005 . 1 . . . A 6 U C1' . 19698 1 53 . 1 1 7 7 U C5 C 13 100.761 0.005 . 1 . . . A 6 U C5 . 19698 1 54 . 1 1 7 7 U C6 C 13 141.049 0.005 . 1 . . . A 6 U C6 . 19698 1 55 . 1 1 7 7 U N3 N 15 163.203 0.005 . 1 . . . A 6 U N3 . 19698 1 56 . 1 1 8 8 G H1 H 1 12.171 0.005 . 1 . . . A 7 G H1 . 19698 1 57 . 1 1 8 8 G H1' H 1 5.7 0.005 . 1 . . . A 7 G H1' . 19698 1 58 . 1 1 8 8 G H2' H 1 3.991 0.005 . 1 . . . A 7 G H2' . 19698 1 59 . 1 1 8 8 G H3' H 1 4.657 0.005 . 1 . . . A 7 G H3' . 19698 1 60 . 1 1 8 8 G H8 H 1 7.579 0.005 . 1 . . . A 7 G H8 . 19698 1 61 . 1 1 8 8 G C1' C 13 93.806 0.005 . 1 . . . A 7 G C1' . 19698 1 62 . 1 1 8 8 G C8 C 13 137.149 0.005 . 1 . . . A 7 G C8 . 19698 1 63 . 1 1 8 8 G N1 N 15 147.51 0.005 . 1 . . . A 7 G N1 . 19698 1 64 . 1 1 9 9 C H1' H 1 5.703 0.005 . 1 . . . A 8 C H1' . 19698 1 65 . 1 1 9 9 C H2' H 1 4.331 0.005 . 1 . . . A 8 C H2' . 19698 1 66 . 1 1 9 9 C H3' H 1 4.684 0.005 . 1 . . . A 8 C H3' . 19698 1 67 . 1 1 9 9 C H5 H 1 5.435 0.005 . 1 . . . A 8 C H5 . 19698 1 68 . 1 1 9 9 C H6 H 1 7.523 0.005 . 1 . . . A 8 C H6 . 19698 1 69 . 1 1 9 9 C C1' C 13 91.037 0.005 . 1 . . . A 8 C C1' . 19698 1 70 . 1 1 9 9 C C5 C 13 96.63 0.005 . 1 . . . A 8 C C5 . 19698 1 71 . 1 1 9 9 C C6 C 13 142.344 0.005 . 1 . . . A 8 C C6 . 19698 1 72 . 1 1 10 10 U H1' H 1 5.505 0.005 . 1 . . . A 9 U H1' . 19698 1 73 . 1 1 10 10 U H2' H 1 4.683 0.005 . 1 . . . A 9 U H2' . 19698 1 74 . 1 1 10 10 U H3 H 1 13.66 0.005 . 1 . . . A 9 U H3 . 19698 1 75 . 1 1 10 10 U H5 H 1 5.397 0.005 . 1 . . . A 9 U H5 . 19698 1 76 . 1 1 10 10 U H6 H 1 7.95 0.005 . 1 . . . A 9 U H6 . 19698 1 77 . 1 1 10 10 U C5 C 13 101.655 0.005 . 1 . . . A 9 U C5 . 19698 1 78 . 1 1 10 10 U C6 C 13 142.6 0.005 . 1 . . . A 9 U C6 . 19698 1 79 . 1 1 10 10 U N3 N 15 161.949 0.005 . 1 . . . A 9 U N3 . 19698 1 80 . 1 1 11 11 U H1' H 1 5.577 0.005 . 1 . . . A 10 U H1' . 19698 1 81 . 1 1 11 11 U H2' H 1 4.169 0.005 . 1 . . . A 10 U H2' . 19698 1 82 . 1 1 11 11 U H3 H 1 13.555 0.005 . 1 . . . A 10 U H3 . 19698 1 83 . 1 1 11 11 U H3' H 1 4.351 0.005 . 1 . . . A 10 U H3' . 19698 1 84 . 1 1 11 11 U H4' H 1 4.437 0.005 . 1 . . . A 10 U H4' . 19698 1 85 . 1 1 11 11 U H5 H 1 4.973 0.005 . 1 . . . A 10 U H5 . 19698 1 86 . 1 1 11 11 U H6 H 1 7.213 0.005 . 1 . . . A 10 U H6 . 19698 1 87 . 1 1 11 11 U C1' C 13 95.186 0.005 . 1 . . . A 10 U C1' . 19698 1 88 . 1 1 11 11 U C5 C 13 100.352 0.005 . 1 . . . A 10 U C5 . 19698 1 89 . 1 1 11 11 U C6 C 13 140.166 0.005 . 1 . . . A 10 U C6 . 19698 1 90 . 1 1 11 11 U N3 N 15 162.535 0.005 . 1 . . . A 10 U N3 . 19698 1 91 . 1 1 12 12 A H1' H 1 5.987 0.005 . 1 . . . A 11 A H1' . 19698 1 92 . 1 1 12 12 A H2 H 1 8.272 0.005 . 1 . . . A 11 A H2 . 19698 1 93 . 1 1 12 12 A H2' H 1 4.498 0.005 . 1 . . . A 11 A H2' . 19698 1 94 . 1 1 12 12 A H3' H 1 4.886 0.005 . 1 . . . A 11 A H3' . 19698 1 95 . 1 1 12 12 A H4' H 1 4.624 0.005 . 1 . . . A 11 A H4' . 19698 1 96 . 1 1 12 12 A H8 H 1 8.549 0.005 . 1 . . . A 11 A H8 . 19698 1 97 . 1 1 12 12 A C1' C 13 89.093 0.005 . 1 . . . A 11 A C1' . 19698 1 98 . 1 1 12 12 A C8 C 13 142.91 0.005 . 1 . . . A 11 A C8 . 19698 1 99 . 1 1 13 13 G H1' H 1 5.917 0.005 . 1 . . . A 12 G H1' . 19698 1 100 . 1 1 13 13 G H2' H 1 4.99 0.005 . 1 . . . A 12 G H2' . 19698 1 101 . 1 1 13 13 G H3' H 1 4.884 0.005 . 1 . . . A 12 G H3' . 19698 1 102 . 1 1 13 13 G H5' H 1 4.49 0.005 . 1 . . . A 12 G H5' . 19698 1 103 . 1 1 13 13 G H5'' H 1 4.301 0.005 . 1 . . . A 12 G H5'' . 19698 1 104 . 1 1 13 13 G H8 H 1 8.03 0.005 . 1 . . . A 12 G H8 . 19698 1 105 . 1 1 13 13 G C1' C 13 93.041 0.005 . 1 . . . A 12 G C1' . 19698 1 106 . 1 1 13 13 G C8 C 13 140.683 0.005 . 1 . . . A 12 G C8 . 19698 1 107 . 1 1 14 14 C H1' H 1 5.599 0.005 . 1 . . . A 13 C H1' . 19698 1 108 . 1 1 14 14 C H2' H 1 4.387 0.005 . 1 . . . A 13 C H2' . 19698 1 109 . 1 1 14 14 C H3' H 1 4.588 0.005 . 1 . . . A 13 C H3' . 19698 1 110 . 1 1 14 14 C H5 H 1 5.301 0.005 . 1 . . . A 13 C H5 . 19698 1 111 . 1 1 14 14 C H6 H 1 7.794 0.005 . 1 . . . A 13 C H6 . 19698 1 112 . 1 1 14 14 C H41 H 1 8.239 0.005 . 1 . . . A 13 C H41 . 19698 1 113 . 1 1 14 14 C H42 H 1 6.788 0.005 . 1 . . . A 13 C H42 . 19698 1 114 . 1 1 14 14 C C1' C 13 95.186 0.005 . 1 . . . A 13 C C1' . 19698 1 115 . 1 1 14 14 C C5 C 13 95.648 0.005 . 1 . . . A 13 C C5 . 19698 1 116 . 1 1 15 15 U H1' H 1 5.494 0.005 . 1 . . . A 14 U H1' . 19698 1 117 . 1 1 15 15 U H2' H 1 4.644 0.005 . 1 . . . A 14 U H2' . 19698 1 118 . 1 1 15 15 U H3 H 1 13.865 0.005 . 1 . . . A 14 U H3 . 19698 1 119 . 1 1 15 15 U H4' H 1 4.489 0.005 . 1 . . . A 14 U H4' . 19698 1 120 . 1 1 15 15 U H5 H 1 5.359 0.005 . 1 . . . A 14 U H5 . 19698 1 121 . 1 1 15 15 U H6 H 1 7.885 0.005 . 1 . . . A 14 U H6 . 19698 1 122 . 1 1 15 15 U C1' C 13 94.28 0.005 . 1 . . . A 14 U C1' . 19698 1 123 . 1 1 15 15 U C5 C 13 101.014 0.005 . 1 . . . A 14 U C5 . 19698 1 124 . 1 1 15 15 U C6 C 13 139.8 0.005 . 1 . . . A 14 U C6 . 19698 1 125 . 1 1 15 15 U N3 N 15 161.712 0.005 . 1 . . . A 14 U N3 . 19698 1 126 . 1 1 16 16 U H1' H 1 5.535 0.005 . 1 . . . A 15 U H1' . 19698 1 127 . 1 1 16 16 U H2' H 1 4.146 0.005 . 1 . . . A 15 U H2' . 19698 1 128 . 1 1 16 16 U H3 H 1 11.972 0.005 . 1 . . . A 15 U H3 . 19698 1 129 . 1 1 16 16 U H5 H 1 5.882 0.005 . 1 . . . A 15 U H5 . 19698 1 130 . 1 1 16 16 U H6 H 1 8.011 0.005 . 1 . . . A 15 U H6 . 19698 1 131 . 1 1 16 16 U C1' C 13 94.3 0.005 . 1 . . . A 15 U C1' . 19698 1 132 . 1 1 16 16 U C5 C 13 102.61 0.005 . 1 . . . A 15 U C5 . 19698 1 133 . 1 1 16 16 U C6 C 13 141.851 0.005 . 1 . . . A 15 U C6 . 19698 1 134 . 1 1 16 16 U N3 N 15 158.457 0.005 . 1 . . . A 15 U N3 . 19698 1 135 . 1 1 17 17 C H1' H 1 5.533 0.005 . 1 . . . A 16 C H1' . 19698 1 136 . 1 1 17 17 C H2' H 1 4.367 0.005 . 1 . . . A 16 C H2' . 19698 1 137 . 1 1 17 17 C H3' H 1 4.74 0.005 . 1 . . . A 16 C H3' . 19698 1 138 . 1 1 17 17 C H5 H 1 5.62 0.005 . 1 . . . A 16 C H5 . 19698 1 139 . 1 1 17 17 C H6 H 1 7.91 0.005 . 1 . . . A 16 C H6 . 19698 1 140 . 1 1 17 17 C C1' C 13 93.41 0.005 . 1 . . . A 16 C C1' . 19698 1 141 . 1 1 17 17 C C5 C 13 95.439 0.005 . 1 . . . A 16 C C5 . 19698 1 142 . 1 1 17 17 C C6 C 13 142.3 0.005 . 1 . . . A 16 C C6 . 19698 1 143 . 1 1 18 18 U H1' H 1 5.463 0.005 . 1 . . . A 17 U H1' . 19698 1 144 . 1 1 18 18 U H2' H 1 4.394 0.005 . 1 . . . A 17 U H2' . 19698 1 145 . 1 1 18 18 U H3 H 1 14.362 0.005 . 1 . . . A 17 U H3 . 19698 1 146 . 1 1 18 18 U H5 H 1 5.377 0.005 . 1 . . . A 17 U H5 . 19698 1 147 . 1 1 18 18 U H6 H 1 7.805 0.005 . 1 . . . A 17 U H6 . 19698 1 148 . 1 1 18 18 U C1' C 13 94.3 0.005 . 1 . . . A 17 U C1' . 19698 1 149 . 1 1 18 18 U C5 C 13 101.11 0.005 . 1 . . . A 17 U C5 . 19698 1 150 . 1 1 18 18 U C6 C 13 142.37 0.005 . 1 . . . A 17 U C6 . 19698 1 151 . 1 1 18 18 U N3 N 15 163.501 0.005 . 1 . . . A 17 U N3 . 19698 1 152 . 1 1 19 19 U H1' H 1 5.679 0.005 . 1 . . . A 18 U H1' . 19698 1 153 . 1 1 19 19 U H2' H 1 4.729 0.005 . 1 . . . A 18 U H2' . 19698 1 154 . 1 1 19 19 U H3 H 1 13.725 0.005 . 1 . . . A 18 U H3 . 19698 1 155 . 1 1 19 19 U H4' H 1 4.57 0.005 . 1 . . . A 18 U H4' . 19698 1 156 . 1 1 19 19 U H5 H 1 5.314 0.005 . 1 . . . A 18 U H5 . 19698 1 157 . 1 1 19 19 U H6 H 1 7.902 0.005 . 1 . . . A 18 U H6 . 19698 1 158 . 1 1 19 19 U C1' C 13 93.921 0.005 . 1 . . . A 18 U C1' . 19698 1 159 . 1 1 19 19 U C5 C 13 100.822 0.005 . 1 . . . A 18 U C5 . 19698 1 160 . 1 1 19 19 U C6 C 13 139.8 0.005 . 1 . . . A 18 U C6 . 19698 1 161 . 1 1 19 19 U N3 N 15 163.458 0.005 . 1 . . . A 18 U N3 . 19698 1 162 . 1 1 20 20 U H1' H 1 4.937 0.005 . 1 . . . A 19 U H1' . 19698 1 163 . 1 1 20 20 U H2' H 1 4.23 0.005 . 1 . . . A 19 U H2' . 19698 1 164 . 1 1 20 20 U H3 H 1 13.809 0.005 . 1 . . . A 19 U H3 . 19698 1 165 . 1 1 20 20 U H5 H 1 5.634 0.005 . 1 . . . A 19 U H5 . 19698 1 166 . 1 1 20 20 U H6 H 1 7.817 0.005 . 1 . . . A 19 U H6 . 19698 1 167 . 1 1 20 20 U HO2' H 1 9.739 0.005 . 1 . . . A 19 U HO2' . 19698 1 168 . 1 1 20 20 U C1' C 13 94.24 0.005 . 1 . . . A 19 U C1' . 19698 1 169 . 1 1 20 20 U C5 C 13 101.841 0.005 . 1 . . . A 19 U C5 . 19698 1 170 . 1 1 20 20 U C6 C 13 141.091 0.005 . 1 . . . A 19 U C6 . 19698 1 171 . 1 1 20 20 U N3 N 15 162.131 0.005 . 1 . . . A 19 U N3 . 19698 1 172 . 1 1 21 21 C H1' H 1 3.424 0.005 . 1 . . . A 20 C H1' . 19698 1 173 . 1 1 21 21 C H2' H 1 3.76 0.005 . 1 . . . A 20 C H2' . 19698 1 174 . 1 1 21 21 C H3' H 1 4.225 0.005 . 1 . . . A 20 C H3' . 19698 1 175 . 1 1 21 21 C H4' H 1 3.148 0.005 . 1 . . . A 20 C H4' . 19698 1 176 . 1 1 21 21 C H5 H 1 5.518 0.005 . 1 . . . A 20 C H5 . 19698 1 177 . 1 1 21 21 C H5' H 1 4.082 0.005 . 1 . . . A 20 C H5' . 19698 1 178 . 1 1 21 21 C H5'' H 1 3.874 0.005 . 1 . . . A 20 C H5'' . 19698 1 179 . 1 1 21 21 C H6 H 1 7.597 0.005 . 1 . . . A 20 C H6 . 19698 1 180 . 1 1 21 21 C C1' C 13 94.625 0.005 . 1 . . . A 20 C C1' . 19698 1 181 . 1 1 21 21 C C5 C 13 95.965 0.005 . 1 . . . A 20 C C5 . 19698 1 182 . 1 1 21 21 C C6 C 13 140.528 0.005 . 1 . . . A 20 C C6 . 19698 1 183 . 1 1 22 22 A H1' H 1 5.66 0.005 . 1 . . . A 21 A H1' . 19698 1 184 . 1 1 22 22 A H2 H 1 7.087 0.005 . 1 . . . A 21 A H2 . 19698 1 185 . 1 1 22 22 A H2' H 1 4.197 0.005 . 1 . . . A 21 A H2' . 19698 1 186 . 1 1 22 22 A H3' H 1 4.625 0.005 . 1 . . . A 21 A H3' . 19698 1 187 . 1 1 22 22 A H4' H 1 4.267 0.005 . 1 . . . A 21 A H4' . 19698 1 188 . 1 1 22 22 A H5'' H 1 3.922 0.005 . 1 . . . A 21 A H5'' . 19698 1 189 . 1 1 22 22 A H8 H 1 7.8 0.005 . 1 . . . A 21 A H8 . 19698 1 190 . 1 1 22 22 A C1' C 13 93.126 0.005 . 1 . . . A 21 A C1' . 19698 1 191 . 1 1 22 22 A C2 C 13 153.469 0.005 . 1 . . . A 21 A C2 . 19698 1 192 . 1 1 22 22 A C8 C 13 139.718 0.005 . 1 . . . A 21 A C8 . 19698 1 193 . 1 1 23 23 C H1' H 1 5.328 0.005 . 1 . . . A 22 C H1' . 19698 1 194 . 1 1 23 23 C H2' H 1 4.06 0.005 . 1 . . . A 22 C H2' . 19698 1 195 . 1 1 23 23 C H5 H 1 4.979 0.005 . 1 . . . A 22 C H5 . 19698 1 196 . 1 1 23 23 C H6 H 1 7.468 0.005 . 1 . . . A 22 C H6 . 19698 1 197 . 1 1 23 23 C H41 H 1 8.11 0.005 . 1 . . . A 22 C H41 . 19698 1 198 . 1 1 23 23 C H42 H 1 6.722 0.005 . 1 . . . A 22 C H42 . 19698 1 199 . 1 1 23 23 C C1' C 13 93.843 0.005 . 1 . . . A 22 C C1' . 19698 1 200 . 1 1 23 23 C C5 C 13 94.407 0.005 . 1 . . . A 22 C C5 . 19698 1 201 . 1 1 23 23 C C6 C 13 141 0.005 . 1 . . . A 22 C C6 . 19698 1 202 . 1 1 24 24 C H1' H 1 5.368 0.005 . 1 . . . A 23 C H1' . 19698 1 203 . 1 1 24 24 C H2' H 1 4.332 0.005 . 1 . . . A 23 C H2' . 19698 1 204 . 1 1 24 24 C H5 H 1 5.324 0.005 . 1 . . . A 23 C H5 . 19698 1 205 . 1 1 24 24 C H6 H 1 7.644 0.005 . 1 . . . A 23 C H6 . 19698 1 206 . 1 1 24 24 C H41 H 1 8.218 0.005 . 1 . . . A 23 C H41 . 19698 1 207 . 1 1 24 24 C H42 H 1 6.651 0.005 . 1 . . . A 23 C H42 . 19698 1 208 . 1 1 24 24 C C1' C 13 94.25 0.005 . 1 . . . A 23 C C1' . 19698 1 209 . 1 1 24 24 C C5 C 13 95.158 0.005 . 1 . . . A 23 C C5 . 19698 1 210 . 1 1 24 24 C C6 C 13 141.392 0.005 . 1 . . . A 23 C C6 . 19698 1 211 . 1 1 25 25 A H1' H 1 5.773 0.005 . 1 . . . A 24 A H1' . 19698 1 212 . 1 1 25 25 A H2 H 1 6.683 0.005 . 1 . . . A 24 A H2 . 19698 1 213 . 1 1 25 25 A H2' H 1 4.37 0.005 . 1 . . . A 24 A H2' . 19698 1 214 . 1 1 25 25 A H3' H 1 4.806 0.005 . 1 . . . A 24 A H3' . 19698 1 215 . 1 1 25 25 A H8 H 1 7.968 0.005 . 1 . . . A 24 A H8 . 19698 1 216 . 1 1 25 25 A C1' C 13 93.11 0.005 . 1 . . . A 24 A C1' . 19698 1 217 . 1 1 25 25 A C2 C 13 152.689 0.005 . 1 . . . A 24 A C2 . 19698 1 218 . 1 1 25 25 A C8 C 13 140.096 0.005 . 1 . . . A 24 A C8 . 19698 1 219 . 1 1 26 26 A H1' H 1 5.835 0.005 . 1 . . . A 25 A H1' . 19698 1 220 . 1 1 26 26 A H2 H 1 7.369 0.005 . 1 . . . A 25 A H2 . 19698 1 221 . 1 1 26 26 A H2' H 1 4.434 0.005 . 1 . . . A 25 A H2' . 19698 1 222 . 1 1 26 26 A H8 H 1 7.853 0.005 . 1 . . . A 25 A H8 . 19698 1 223 . 1 1 26 26 A C1' C 13 92.52 0.005 . 1 . . . A 25 A C1' . 19698 1 224 . 1 1 26 26 A C2 C 13 153.752 0.005 . 1 . . . A 25 A C2 . 19698 1 225 . 1 1 26 26 A C2' C 13 75.845 0.005 . 1 . . . A 25 A C2' . 19698 1 226 . 1 1 26 26 A C8 C 13 139.596 0.005 . 1 . . . A 25 A C8 . 19698 1 227 . 1 1 27 27 G H1 H 1 13.485 0.005 . 1 . . . A 26 G H1 . 19698 1 228 . 1 1 27 27 G H1' H 1 5.482 0.005 . 1 . . . A 26 G H1' . 19698 1 229 . 1 1 27 27 G H2' H 1 4.328 0.005 . 1 . . . A 26 G H2' . 19698 1 230 . 1 1 27 27 G H8 H 1 7.108 0.005 . 1 . . . A 26 G H8 . 19698 1 231 . 1 1 27 27 G C1' C 13 92.753 0.005 . 1 . . . A 26 G C1' . 19698 1 232 . 1 1 27 27 G C8 C 13 135.751 0.005 . 1 . . . A 26 G C8 . 19698 1 233 . 1 1 27 27 G N1 N 15 148.091 0.005 . 1 . . . A 26 G N1 . 19698 1 234 . 1 1 28 28 C H1' H 1 5.375 0.005 . 1 . . . A 27 C H1' . 19698 1 235 . 1 1 28 28 C H2' H 1 4.392 0.005 . 1 . . . A 27 C H2' . 19698 1 236 . 1 1 28 28 C H5 H 1 5.069 0.005 . 1 . . . A 27 C H5 . 19698 1 237 . 1 1 28 28 C H5' H 1 4.416 0.005 . 1 . . . A 27 C H5' . 19698 1 238 . 1 1 28 28 C H5'' H 1 4.028 0.005 . 1 . . . A 27 C H5'' . 19698 1 239 . 1 1 28 28 C H6 H 1 7.281 0.005 . 1 . . . A 27 C H6 . 19698 1 240 . 1 1 28 28 C H41 H 1 8.144 0.005 . 1 . . . A 27 C H41 . 19698 1 241 . 1 1 28 28 C H42 H 1 6.678 0.005 . 1 . . . A 27 C H42 . 19698 1 242 . 1 1 28 28 C C1' C 13 94.36 0.005 . 1 . . . A 27 C C1' . 19698 1 243 . 1 1 28 28 C C2' C 13 76.27 0.005 . 1 . . . A 27 C C2' . 19698 1 244 . 1 1 28 28 C C5 C 13 95.373 0.005 . 1 . . . A 27 C C5 . 19698 1 245 . 1 1 28 28 C C6 C 13 140.424 0.005 . 1 . . . A 27 C C6 . 19698 1 246 . 1 1 29 29 A H1' H 1 5.927 0.005 . 1 . . . A 28 A H1' . 19698 1 247 . 1 1 29 29 A H2 H 1 7.464 0.005 . 1 . . . A 28 A H2 . 19698 1 248 . 1 1 29 29 A H2' H 1 4.391 0.005 . 1 . . . A 28 A H2' . 19698 1 249 . 1 1 29 29 A H3' H 1 4.524 0.005 . 1 . . . A 28 A H3' . 19698 1 250 . 1 1 29 29 A H8 H 1 7.986 0.005 . 1 . . . A 28 A H8 . 19698 1 251 . 1 1 29 29 A C1' C 13 92.401 0.005 . 1 . . . A 28 A C1' . 19698 1 252 . 1 1 29 29 A C2 C 13 154.874 0.005 . 1 . . . A 28 A C2 . 19698 1 253 . 1 1 29 29 A C8 C 13 140.825 0.005 . 1 . . . A 28 A C8 . 19698 1 254 . 1 1 30 30 U H1' H 1 5.629 0.005 . 1 . . . A 29 U H1' . 19698 1 255 . 1 1 30 30 U H2' H 1 4.129 0.005 . 1 . . . A 29 U H2' . 19698 1 256 . 1 1 30 30 U H3' H 1 4.521 0.005 . 1 . . . A 29 U H3' . 19698 1 257 . 1 1 30 30 U H4' H 1 4.185 0.005 . 1 . . . A 29 U H4' . 19698 1 258 . 1 1 30 30 U H5 H 1 5.425 0.005 . 1 . . . A 29 U H5 . 19698 1 259 . 1 1 30 30 U H5' H 1 4.053 0.005 . 1 . . . A 29 U H5' . 19698 1 260 . 1 1 30 30 U H5'' H 1 3.972 0.005 . 1 . . . A 29 U H5'' . 19698 1 261 . 1 1 30 30 U H6 H 1 7.497 0.005 . 1 . . . A 29 U H6 . 19698 1 262 . 1 1 30 30 U C1' C 13 90.728 0.005 . 1 . . . A 29 U C1' . 19698 1 263 . 1 1 30 30 U C5 C 13 102.602 0.005 . 1 . . . A 29 U C5 . 19698 1 264 . 1 1 30 30 U C6 C 13 143.25 0.005 . 1 . . . A 29 U C6 . 19698 1 265 . 1 1 31 31 A H1' H 1 6.024 0.005 . 1 . . . A 30 A H1' . 19698 1 266 . 1 1 31 31 A H2 H 1 8.133 0.005 . 1 . . . A 30 A H2 . 19698 1 267 . 1 1 31 31 A H2' H 1 4.844 0.005 . 1 . . . A 30 A H2' . 19698 1 268 . 1 1 31 31 A H3' H 1 4.784 0.005 . 1 . . . A 30 A H3' . 19698 1 269 . 1 1 31 31 A H4' H 1 4.527 0.005 . 1 . . . A 30 A H4' . 19698 1 270 . 1 1 31 31 A H5' H 1 4.125 0.005 . 1 . . . A 30 A H5' . 19698 1 271 . 1 1 31 31 A H5'' H 1 4.299 0.005 . 1 . . . A 30 A H5'' . 19698 1 272 . 1 1 31 31 A H8 H 1 8.3 0.005 . 1 . . . A 30 A H8 . 19698 1 273 . 1 1 31 31 A C1' C 13 91.092 0.005 . 1 . . . A 30 A C1' . 19698 1 274 . 1 1 31 31 A C2 C 13 155.735 0.005 . 1 . . . A 30 A C2 . 19698 1 275 . 1 1 31 31 A C8 C 13 142.625 0.005 . 1 . . . A 30 A C8 . 19698 1 276 . 1 1 32 32 U H1' H 1 5.851 0.005 . 1 . . . A 31 U H1' . 19698 1 277 . 1 1 32 32 U H2' H 1 4.399 0.005 . 1 . . . A 31 U H2' . 19698 1 278 . 1 1 32 32 U H3' H 1 4.681 0.005 . 1 . . . A 31 U H3' . 19698 1 279 . 1 1 32 32 U H5 H 1 5.686 0.005 . 1 . . . A 31 U H5 . 19698 1 280 . 1 1 32 32 U H5' H 1 4.202 0.005 . 1 . . . A 31 U H5' . 19698 1 281 . 1 1 32 32 U H5'' H 1 4.301 0.005 . 1 . . . A 31 U H5'' . 19698 1 282 . 1 1 32 32 U H6 H 1 7.744 0.005 . 1 . . . A 31 U H6 . 19698 1 283 . 1 1 32 32 U C1' C 13 91.708 0.005 . 1 . . . A 31 U C1' . 19698 1 284 . 1 1 32 32 U C5 C 13 102.844 0.005 . 1 . . . A 31 U C5 . 19698 1 285 . 1 1 32 32 U C6 C 13 143.882 0.005 . 1 . . . A 31 U C6 . 19698 1 286 . 1 1 33 33 U H1' H 1 5.819 0.005 . 1 . . . A 32 U H1' . 19698 1 287 . 1 1 33 33 U H2' H 1 4.363 0.005 . 1 . . . A 32 U H2' . 19698 1 288 . 1 1 33 33 U H3' H 1 4.669 0.005 . 1 . . . A 32 U H3' . 19698 1 289 . 1 1 33 33 U H5 H 1 5.785 0.005 . 1 . . . A 32 U H5 . 19698 1 290 . 1 1 33 33 U H5' H 1 4.208 0.005 . 1 . . . A 32 U H5' . 19698 1 291 . 1 1 33 33 U H5'' H 1 4.167 0.005 . 1 . . . A 32 U H5'' . 19698 1 292 . 1 1 33 33 U H6 H 1 7.755 0.005 . 1 . . . A 32 U H6 . 19698 1 293 . 1 1 33 33 U C1' C 13 91.821 0.005 . 1 . . . A 32 U C1' . 19698 1 294 . 1 1 33 33 U C5 C 13 102.959 0.005 . 1 . . . A 32 U C5 . 19698 1 295 . 1 1 33 33 U C6 C 13 144.112 0.005 . 1 . . . A 32 U C6 . 19698 1 296 . 1 1 34 34 A H1' H 1 6.109 0.005 . 1 . . . A 33 A H1' . 19698 1 297 . 1 1 34 34 A H2 H 1 8.206 0.005 . 1 . . . A 33 A H2 . 19698 1 298 . 1 1 34 34 A H2' H 1 4.883 0.005 . 1 . . . A 33 A H2' . 19698 1 299 . 1 1 34 34 A H3' H 1 4.861 0.005 . 1 . . . A 33 A H3' . 19698 1 300 . 1 1 34 34 A H4' H 1 4.642 0.005 . 1 . . . A 33 A H4' . 19698 1 301 . 1 1 34 34 A H5' H 1 4.287 0.005 . 1 . . . A 33 A H5' . 19698 1 302 . 1 1 34 34 A H5'' H 1 4.421 0.005 . 1 . . . A 33 A H5'' . 19698 1 303 . 1 1 34 34 A H8 H 1 8.456 0.005 . 1 . . . A 33 A H8 . 19698 1 304 . 1 1 34 34 A C1' C 13 91.683 0.005 . 1 . . . A 33 A C1' . 19698 1 305 . 1 1 34 34 A C2 C 13 155.737 0.005 . 1 . . . A 33 A C2 . 19698 1 306 . 1 1 34 34 A C8 C 13 142.529 0.005 . 1 . . . A 33 A C8 . 19698 1 307 . 1 1 35 35 C H1' H 1 6.028 0.005 . 1 . . . A 34 C H1' . 19698 1 308 . 1 1 35 35 C H2' H 1 4.43 0.005 . 1 . . . A 34 C H2' . 19698 1 309 . 1 1 35 35 C H3' H 1 4.838 0.005 . 1 . . . A 34 C H3' . 19698 1 310 . 1 1 35 35 C H4' H 1 4.598 0.005 . 1 . . . A 34 C H4' . 19698 1 311 . 1 1 35 35 C H5 H 1 5.79 0.005 . 1 . . . A 34 C H5 . 19698 1 312 . 1 1 35 35 C H6 H 1 7.759 0.005 . 1 . . . A 34 C H6 . 19698 1 313 . 1 1 35 35 C C1' C 13 92.386 0.005 . 1 . . . A 34 C C1' . 19698 1 314 . 1 1 35 35 C C5 C 13 96.582 0.005 . 1 . . . A 34 C C5 . 19698 1 315 . 1 1 35 35 C C6 C 13 143.54 0.005 . 1 . . . A 34 C C6 . 19698 1 316 . 1 1 36 36 A H1' H 1 6.199 0.005 . 1 . . . A 35 A H1' . 19698 1 317 . 1 1 36 36 A H2 H 1 8.803 0.005 . 1 . . . A 35 A H2 . 19698 1 318 . 1 1 36 36 A H2' H 1 4.79 0.005 . 1 . . . A 35 A H2' . 19698 1 319 . 1 1 36 36 A H3' H 1 4.67 0.005 . 1 . . . A 35 A H3' . 19698 1 320 . 1 1 36 36 A H4' H 1 4.63 0.005 . 1 . . . A 35 A H4' . 19698 1 321 . 1 1 36 36 A H5' H 1 4.57 0.005 . 1 . . . A 35 A H5' . 19698 1 322 . 1 1 36 36 A H5'' H 1 4.367 0.005 . 1 . . . A 35 A H5'' . 19698 1 323 . 1 1 36 36 A H8 H 1 8.419 0.005 . 1 . . . A 35 A H8 . 19698 1 324 . 1 1 36 36 A C1' C 13 94.302 0.005 . 1 . . . A 35 A C1' . 19698 1 325 . 1 1 36 36 A C2 C 13 156.584 0.005 . 1 . . . A 35 A C2 . 19698 1 326 . 1 1 36 36 A C8 C 13 141.6 0.005 . 1 . . . A 35 A C8 . 19698 1 327 . 1 1 37 37 C H1' H 1 5.649 0.005 . 1 . . . A 36 C H1' . 19698 1 328 . 1 1 37 37 C H2' H 1 4.543 0.005 . 1 . . . A 36 C H2' . 19698 1 329 . 1 1 37 37 C H5 H 1 5.228 0.005 . 1 . . . A 36 C H5 . 19698 1 330 . 1 1 37 37 C H6 H 1 7.42 0.005 . 1 . . . A 36 C H6 . 19698 1 331 . 1 1 37 37 C C1' C 13 94.3 0.005 . 1 . . . A 36 C C1' . 19698 1 332 . 1 1 38 38 G H1 H 1 13.274 0.005 . 1 . . . A 37 G H1 . 19698 1 333 . 1 1 38 38 G H1' H 1 5.655 0.005 . 1 . . . A 37 G H1' . 19698 1 334 . 1 1 38 38 G H2' H 1 4.614 0.005 . 1 . . . A 37 G H2' . 19698 1 335 . 1 1 38 38 G H3' H 1 4.456 0.005 . 1 . . . A 37 G H3' . 19698 1 336 . 1 1 38 38 G H8 H 1 7.683 0.005 . 1 . . . A 37 G H8 . 19698 1 337 . 1 1 38 38 G C1' C 13 94.266 0.005 . 1 . . . A 37 G C1' . 19698 1 338 . 1 1 38 38 G C8 C 13 137.876 0.005 . 1 . . . A 37 G C8 . 19698 1 339 . 1 1 38 38 G N1 N 15 148.691 0.005 . 1 . . . A 37 G N1 . 19698 1 340 . 1 1 39 39 C H1' H 1 5.599 0.005 . 1 . . . A 38 C H1' . 19698 1 341 . 1 1 39 39 C H2' H 1 4.498 0.005 . 1 . . . A 38 C H2' . 19698 1 342 . 1 1 39 39 C H5 H 1 5.253 0.005 . 1 . . . A 38 C H5 . 19698 1 343 . 1 1 39 39 C H6 H 1 7.751 0.005 . 1 . . . A 38 C H6 . 19698 1 344 . 1 1 39 39 C C1' C 13 94.39 0.005 . 1 . . . A 38 C C1' . 19698 1 345 . 1 1 39 39 C C5 C 13 95.091 0.005 . 1 . . . A 38 C C5 . 19698 1 346 . 1 1 39 39 C C6 C 13 141.35 0.005 . 1 . . . A 38 C C6 . 19698 1 347 . 1 1 40 40 G H1 H 1 12.593 0.005 . 1 . . . A 39 G H1 . 19698 1 348 . 1 1 40 40 G H1' H 1 5.799 0.005 . 1 . . . A 39 G H1' . 19698 1 349 . 1 1 40 40 G H2' H 1 4.418 0.005 . 1 . . . A 39 G H2' . 19698 1 350 . 1 1 40 40 G H3' H 1 4.821 0.005 . 1 . . . A 39 G H3' . 19698 1 351 . 1 1 40 40 G H8 H 1 7.677 0.005 . 1 . . . A 39 G H8 . 19698 1 352 . 1 1 40 40 G C1' C 13 93.032 0.005 . 1 . . . A 39 G C1' . 19698 1 353 . 1 1 40 40 G C8 C 13 137.011 0.005 . 1 . . . A 39 G C8 . 19698 1 354 . 1 1 40 40 G N1 N 15 146.733 0.005 . 1 . . . A 39 G N1 . 19698 1 355 . 1 1 41 41 G H1' H 1 5.965 0.005 . 1 . . . A 40 G H1' . 19698 1 356 . 1 1 41 41 G H2' H 1 4.543 0.005 . 1 . . . A 40 G H2' . 19698 1 357 . 1 1 41 41 G H3' H 1 4.525 0.005 . 1 . . . A 40 G H3' . 19698 1 358 . 1 1 41 41 G H8 H 1 7.582 0.005 . 1 . . . A 40 G H8 . 19698 1 359 . 1 1 41 41 G C1' C 13 92.824 0.005 . 1 . . . A 40 G C1' . 19698 1 360 . 1 1 42 42 A H1' H 1 5.853 0.005 . 1 . . . A 41 A H1' . 19698 1 361 . 1 1 42 42 A H2 H 1 7.783 0.005 . 1 . . . A 41 A H2 . 19698 1 362 . 1 1 42 42 A H2' H 1 4.612 0.005 . 1 . . . A 41 A H2' . 19698 1 363 . 1 1 42 42 A H3' H 1 4.551 0.005 . 1 . . . A 41 A H3' . 19698 1 364 . 1 1 42 42 A H4' H 1 4.544 0.005 . 1 . . . A 41 A H4' . 19698 1 365 . 1 1 42 42 A H8 H 1 8.009 0.005 . 1 . . . A 41 A H8 . 19698 1 366 . 1 1 42 42 A C1' C 13 93.419 0.005 . 1 . . . A 41 A C1' . 19698 1 367 . 1 1 42 42 A C2 C 13 155.254 0.005 . 1 . . . A 41 A C2 . 19698 1 368 . 1 1 42 42 A C8 C 13 140.825 0.005 . 1 . . . A 41 A C8 . 19698 1 369 . 1 1 43 43 U H1' H 1 5.4 0.005 . 1 . . . A 42 U H1' . 19698 1 370 . 1 1 43 43 U H2' H 1 4.16 0.005 . 1 . . . A 42 U H2' . 19698 1 371 . 1 1 43 43 U H3' H 1 4.455 0.005 . 1 . . . A 42 U H3' . 19698 1 372 . 1 1 43 43 U H4' H 1 4.266 0.005 . 1 . . . A 42 U H4' . 19698 1 373 . 1 1 43 43 U H5 H 1 4.869 0.005 . 1 . . . A 42 U H5 . 19698 1 374 . 1 1 43 43 U H6 H 1 7.296 0.005 . 1 . . . A 42 U H6 . 19698 1 375 . 1 1 43 43 U C1' C 13 91.944 0.005 . 1 . . . A 42 U C1' . 19698 1 376 . 1 1 43 43 U C5 C 13 99.122 0.005 . 1 . . . A 42 U C5 . 19698 1 377 . 1 1 44 44 A H1' H 1 5.783 0.005 . 1 . . . A 43 A H1' . 19698 1 378 . 1 1 44 44 A H2 H 1 7.909 0.005 . 1 . . . A 43 A H2 . 19698 1 379 . 1 1 44 44 A H2' H 1 4.451 0.005 . 1 . . . A 43 A H2' . 19698 1 380 . 1 1 44 44 A H3' H 1 4.83 0.005 . 1 . . . A 43 A H3' . 19698 1 381 . 1 1 44 44 A H4' H 1 4.445 0.005 . 1 . . . A 43 A H4' . 19698 1 382 . 1 1 44 44 A H8 H 1 8.247 0.005 . 1 . . . A 43 A H8 . 19698 1 383 . 1 1 44 44 A C1' C 13 91.821 0.005 . 1 . . . A 43 A C1' . 19698 1 384 . 1 1 44 44 A C2 C 13 154.912 0.005 . 1 . . . A 43 A C2 . 19698 1 385 . 1 1 44 44 A C8 C 13 141.395 0.005 . 1 . . . A 43 A C8 . 19698 1 386 . 1 1 45 45 A H1' H 1 5.86 0.005 . 1 . . . A 44 A H1' . 19698 1 387 . 1 1 45 45 A H2 H 1 8.103 0.005 . 1 . . . A 44 A H2 . 19698 1 388 . 1 1 45 45 A H2' H 1 4.765 0.005 . 1 . . . A 44 A H2' . 19698 1 389 . 1 1 45 45 A H3' H 1 4.712 0.005 . 1 . . . A 44 A H3' . 19698 1 390 . 1 1 45 45 A H4' H 1 4.529 0.005 . 1 . . . A 44 A H4' . 19698 1 391 . 1 1 45 45 A H5'' H 1 4.262 0.005 . 1 . . . A 44 A H5'' . 19698 1 392 . 1 1 45 45 A H8 H 1 8.208 0.005 . 1 . . . A 44 A H8 . 19698 1 393 . 1 1 45 45 A C1' C 13 91.178 0.005 . 1 . . . A 44 A C1' . 19698 1 394 . 1 1 45 45 A C2 C 13 155.966 0.005 . 1 . . . A 44 A C2 . 19698 1 395 . 1 1 45 45 A C8 C 13 141.395 0.005 . 1 . . . A 44 A C8 . 19698 1 396 . 1 1 46 46 C H1' H 1 5.805 0.005 . 1 . . . A 45 C H1' . 19698 1 397 . 1 1 46 46 C H2' H 1 4.442 0.005 . 1 . . . A 45 C H2' . 19698 1 398 . 1 1 46 46 C H5 H 1 5.843 0.005 . 1 . . . A 45 C H5 . 19698 1 399 . 1 1 46 46 C H6 H 1 7.959 0.005 . 1 . . . A 45 C H6 . 19698 1 400 . 1 1 46 46 C C5 C 13 96.555 0.005 . 1 . . . A 45 C C5 . 19698 1 401 . 1 1 46 46 C C6 C 13 142.2 0.005 . 1 . . . A 45 C C6 . 19698 1 402 . 1 1 47 47 C H1' H 1 5.488 0.005 . 1 . . . A 46 C H1' . 19698 1 403 . 1 1 47 47 C H2' H 1 4.668 0.005 . 1 . . . A 46 C H2' . 19698 1 404 . 1 1 47 47 C H5 H 1 5.642 0.005 . 1 . . . A 46 C H5 . 19698 1 405 . 1 1 47 47 C H6 H 1 7.635 0.005 . 1 . . . A 46 C H6 . 19698 1 406 . 1 1 47 47 C C1' C 13 94.6 0.005 . 1 . . . A 46 C C1' . 19698 1 407 . 1 1 47 47 C C5 C 13 96.652 0.005 . 1 . . . A 46 C C5 . 19698 1 408 . 1 1 47 47 C C6 C 13 141.392 0.005 . 1 . . . A 46 C C6 . 19698 1 409 . 1 1 48 48 G H1 H 1 13.046 0.005 . 1 . . . A 47 G H1 . 19698 1 410 . 1 1 48 48 G H1' H 1 5.748 0.005 . 1 . . . A 47 G H1' . 19698 1 411 . 1 1 48 48 G H2' H 1 4.602 0.005 . 1 . . . A 47 G H2' . 19698 1 412 . 1 1 48 48 G H5'' H 1 4.188 0.005 . 1 . . . A 47 G H5'' . 19698 1 413 . 1 1 48 48 G H8 H 1 7.641 0.005 . 1 . . . A 47 G H8 . 19698 1 414 . 1 1 48 48 G C1' C 13 93.361 0.005 . 1 . . . A 47 G C1' . 19698 1 415 . 1 1 48 48 G C8 C 13 136.622 0.005 . 1 . . . A 47 G C8 . 19698 1 416 . 1 1 48 48 G N1 N 15 147.722 0.005 . 1 . . . A 47 G N1 . 19698 1 417 . 1 1 49 49 C H1' H 1 5.515 0.005 . 1 . . . A 48 C H1' . 19698 1 418 . 1 1 49 49 C H2' H 1 4.481 0.005 . 1 . . . A 48 C H2' . 19698 1 419 . 1 1 49 49 C H3' H 1 4.419 0.005 . 1 . . . A 48 C H3' . 19698 1 420 . 1 1 49 49 C H5 H 1 5.22 0.005 . 1 . . . A 48 C H5 . 19698 1 421 . 1 1 49 49 C H6 H 1 7.531 0.005 . 1 . . . A 48 C H6 . 19698 1 422 . 1 1 49 49 C H41 H 1 8.393 0.005 . 1 . . . A 48 C H41 . 19698 1 423 . 1 1 49 49 C H42 H 1 6.937 0.005 . 1 . . . A 48 C H42 . 19698 1 424 . 1 1 49 49 C C1' C 13 94.63 0.005 . 1 . . . A 48 C C1' . 19698 1 425 . 1 1 49 49 C C6 C 13 140.61 0.005 . 1 . . . A 48 C C6 . 19698 1 426 . 1 1 50 50 C H1' H 1 5.756 0.005 . 1 . . . A 49 C H1' . 19698 1 427 . 1 1 50 50 C H2' H 1 4.157 0.005 . 1 . . . A 49 C H2' . 19698 1 428 . 1 1 50 50 C H3' H 1 4.738 0.005 . 1 . . . A 49 C H3' . 19698 1 429 . 1 1 50 50 C H5 H 1 5.703 0.005 . 1 . . . A 49 C H5 . 19698 1 430 . 1 1 50 50 C H6 H 1 7.82 0.005 . 1 . . . A 49 C H6 . 19698 1 431 . 1 1 50 50 C C1' C 13 94.792 0.005 . 1 . . . A 49 C C1' . 19698 1 432 . 1 1 50 50 C C5 C 13 95.811 0.005 . 1 . . . A 49 C C5 . 19698 1 433 . 1 1 50 50 C C6 C 13 141.941 0.005 . 1 . . . A 49 C C6 . 19698 1 434 . 1 1 51 51 A H1' H 1 6.685 0.005 . 1 . . . A 50 A H1' . 19698 1 435 . 1 1 51 51 A H2 H 1 7.465 0.005 . 1 . . . A 50 A H2 . 19698 1 436 . 1 1 51 51 A H2' H 1 4.871 0.005 . 1 . . . A 50 A H2' . 19698 1 437 . 1 1 51 51 A H3' H 1 4.883 0.005 . 1 . . . A 50 A H3' . 19698 1 438 . 1 1 51 51 A H4' H 1 5.229 0.005 . 1 . . . A 50 A H4' . 19698 1 439 . 1 1 51 51 A H5' H 1 4.263 0.005 . 1 . . . A 50 A H5' . 19698 1 440 . 1 1 51 51 A H5'' H 1 4.416 0.005 . 1 . . . A 50 A H5'' . 19698 1 441 . 1 1 51 51 A H8 H 1 8.374 0.005 . 1 . . . A 50 A H8 . 19698 1 442 . 1 1 51 51 A C1' C 13 87.477 0.005 . 1 . . . A 50 A C1' . 19698 1 443 . 1 1 51 51 A C2 C 13 154.481 0.005 . 1 . . . A 50 A C2 . 19698 1 444 . 1 1 51 51 A C8 C 13 142.303 0.005 . 1 . . . A 50 A C8 . 19698 1 445 . 1 1 52 52 A H1' H 1 7.031 0.005 . 1 . . . A 51 A H1' . 19698 1 446 . 1 1 52 52 A H2 H 1 7.378 0.005 . 1 . . . A 51 A H2 . 19698 1 447 . 1 1 52 52 A H2' H 1 5.28 0.005 . 1 . . . A 51 A H2' . 19698 1 448 . 1 1 52 52 A H3' H 1 5.081 0.005 . 1 . . . A 51 A H3' . 19698 1 449 . 1 1 52 52 A H4' H 1 4.855 0.005 . 1 . . . A 51 A H4' . 19698 1 450 . 1 1 52 52 A H8 H 1 7.462 0.005 . 1 . . . A 51 A H8 . 19698 1 451 . 1 1 52 52 A H61 H 1 7.843 0.005 . 1 . . . A 51 A H61 . 19698 1 452 . 1 1 52 52 A H62 H 1 7.638 0.005 . 1 . . . A 51 A H62 . 19698 1 453 . 1 1 52 52 A C1' C 13 94.863 0.005 . 1 . . . A 51 A C1' . 19698 1 454 . 1 1 52 52 A C2 C 13 153.137 0.005 . 1 . . . A 51 A C2 . 19698 1 455 . 1 1 52 52 A C8 C 13 140.093 0.005 . 1 . . . A 51 A C8 . 19698 1 456 . 1 1 53 53 A H1' H 1 6.281 0.005 . 1 . . . A 52 A H1' . 19698 1 457 . 1 1 53 53 A H2 H 1 7.41 0.005 . 1 . . . A 52 A H2 . 19698 1 458 . 1 1 53 53 A H2' H 1 4.694 0.005 . 1 . . . A 52 A H2' . 19698 1 459 . 1 1 53 53 A H3' H 1 4.736 0.005 . 1 . . . A 52 A H3' . 19698 1 460 . 1 1 53 53 A H4' H 1 4.878 0.005 . 1 . . . A 52 A H4' . 19698 1 461 . 1 1 53 53 A H8 H 1 7.465 0.005 . 1 . . . A 52 A H8 . 19698 1 462 . 1 1 53 53 A H61 H 1 7.869 0.005 . 1 . . . A 52 A H61 . 19698 1 463 . 1 1 53 53 A H62 H 1 7.416 0.005 . 1 . . . A 52 A H62 . 19698 1 464 . 1 1 53 53 A C1' C 13 93.821 0.005 . 1 . . . A 52 A C1' . 19698 1 465 . 1 1 53 53 A C2 C 13 153.137 0.005 . 1 . . . A 52 A C2 . 19698 1 466 . 1 1 53 53 A C8 C 13 139.932 0.005 . 1 . . . A 52 A C8 . 19698 1 467 . 1 1 54 54 G H1 H 1 12.759 0.005 . 1 . . . A 53 G H1 . 19698 1 468 . 1 1 54 54 G H1' H 1 5.898 0.005 . 1 . . . A 53 G H1' . 19698 1 469 . 1 1 54 54 G H2' H 1 4.541 0.005 . 1 . . . A 53 G H2' . 19698 1 470 . 1 1 54 54 G H3' H 1 4.517 0.005 . 1 . . . A 53 G H3' . 19698 1 471 . 1 1 54 54 G H8 H 1 7.455 0.005 . 1 . . . A 53 G H8 . 19698 1 472 . 1 1 54 54 G C1' C 13 92.75 0.005 . 1 . . . A 53 G C1' . 19698 1 473 . 1 1 54 54 G C8 C 13 137.284 0.005 . 1 . . . A 53 G C8 . 19698 1 474 . 1 1 54 54 G N1 N 15 147.658 0.005 . 1 . . . A 53 G N1 . 19698 1 475 . 1 1 55 55 G H1 H 1 10.463 0.005 . 1 . . . A 54 G H1 . 19698 1 476 . 1 1 55 55 G H1' H 1 5.785 0.005 . 1 . . . A 54 G H1' . 19698 1 477 . 1 1 55 55 G H2' H 1 4.773 0.005 . 1 . . . A 54 G H2' . 19698 1 478 . 1 1 55 55 G H5'' H 1 4.1 0.005 . 1 . . . A 54 G H5'' . 19698 1 479 . 1 1 55 55 G H8 H 1 7.197 0.005 . 1 . . . A 54 G H8 . 19698 1 480 . 1 1 55 55 G C1' C 13 93.89 0.005 . 1 . . . A 54 G C1' . 19698 1 481 . 1 1 55 55 G C8 C 13 137.67 0.005 . 1 . . . A 54 G C8 . 19698 1 482 . 1 1 55 55 G N1 N 15 142.055 0.005 . 1 . . . A 54 G N1 . 19698 1 483 . 1 1 56 56 A H1' H 1 5.897 0.005 . 1 . . . A 55 A H1' . 19698 1 484 . 1 1 56 56 A H2 H 1 7.55 0.005 . 1 . . . A 55 A H2 . 19698 1 485 . 1 1 56 56 A H2' H 1 4.606 0.005 . 1 . . . A 55 A H2' . 19698 1 486 . 1 1 56 56 A H3' H 1 4.684 0.005 . 1 . . . A 55 A H3' . 19698 1 487 . 1 1 56 56 A H8 H 1 7.776 0.005 . 1 . . . A 55 A H8 . 19698 1 488 . 1 1 56 56 A C1' C 13 93.275 0.005 . 1 . . . A 55 A C1' . 19698 1 489 . 1 1 56 56 A C2 C 13 154.019 0.005 . 1 . . . A 55 A C2 . 19698 1 490 . 1 1 57 57 G H1 H 1 12.66 0.005 . 1 . . . A 56 G H1 . 19698 1 491 . 1 1 57 57 G H1' H 1 5.476 0.005 . 1 . . . A 56 G H1' . 19698 1 492 . 1 1 57 57 G H2' H 1 4.33 0.005 . 1 . . . A 56 G H2' . 19698 1 493 . 1 1 57 57 G H8 H 1 6.99 0.005 . 1 . . . A 56 G H8 . 19698 1 494 . 1 1 57 57 G C1' C 13 93.171 0.005 . 1 . . . A 56 G C1' . 19698 1 495 . 1 1 57 57 G C8 C 13 136.321 0.005 . 1 . . . A 56 G C8 . 19698 1 496 . 1 1 57 57 G N1 N 15 147.365 0.005 . 1 . . . A 56 G N1 . 19698 1 497 . 1 1 58 58 A H1' H 1 5.884 0.005 . 1 . . . A 57 A H1' . 19698 1 498 . 1 1 58 58 A H2 H 1 7.783 0.005 . 1 . . . A 57 A H2 . 19698 1 499 . 1 1 58 58 A H2' H 1 4.397 0.005 . 1 . . . A 57 A H2' . 19698 1 500 . 1 1 58 58 A H3' H 1 4.578 0.005 . 1 . . . A 57 A H3' . 19698 1 501 . 1 1 58 58 A H4' H 1 4.438 0.005 . 1 . . . A 57 A H4' . 19698 1 502 . 1 1 58 58 A H8 H 1 7.692 0.005 . 1 . . . A 57 A H8 . 19698 1 503 . 1 1 58 58 A C1' C 13 92.8 0.005 . 1 . . . A 57 A C1' . 19698 1 504 . 1 1 58 58 A C2 C 13 155.254 0.005 . 1 . . . A 57 A C2 . 19698 1 505 . 1 1 58 58 A C8 C 13 139.747 0.005 . 1 . . . A 57 A C8 . 19698 1 506 . 1 1 59 59 A H1' H 1 5.8 0.005 . 1 . . . A 58 A H1' . 19698 1 507 . 1 1 59 59 A H2 H 1 8.019 0.005 . 1 . . . A 58 A H2 . 19698 1 508 . 1 1 59 59 A H2' H 1 4.122 0.005 . 1 . . . A 58 A H2' . 19698 1 509 . 1 1 59 59 A H3' H 1 4.321 0.005 . 1 . . . A 58 A H3' . 19698 1 510 . 1 1 59 59 A H4' H 1 4.268 0.005 . 1 . . . A 58 A H4' . 19698 1 511 . 1 1 59 59 A H8 H 1 7.969 0.005 . 1 . . . A 58 A H8 . 19698 1 512 . 1 1 59 59 A C1' C 13 91.257 0.005 . 1 . . . A 58 A C1' . 19698 1 513 . 1 1 59 59 A C2 C 13 155.768 0.005 . 1 . . . A 58 A C2 . 19698 1 514 . 1 1 59 59 A C8 C 13 141.164 0.005 . 1 . . . A 58 A C8 . 19698 1 515 . 2 2 1 1 PRF H101 H 1 3.931 0.005 . 1 . . . . 1 Q1 H101 . 19698 1 516 . 2 2 1 1 PRF H102 H 1 4.589 0.005 . 1 . . . . 1 Q1 H102 . 19698 1 517 . 2 2 1 1 PRF H81 H 1 6.53 0.005 . 1 . . . . 1 Q1 H81 . 19698 1 518 . 2 2 1 1 PRF HN11 H 1 11.693 0.005 . 1 . . . . 1 Q1 HN11 . 19698 1 519 . 2 2 1 1 PRF HN91 H 1 8.529 0.005 . 1 . . . . 1 Q1 HN91 . 19698 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19698 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 3 '3D HCCH-TOCSY' . . . 19698 2 4 '3D HCCH-TOCSY' . . . 19698 2 5 '3D HCCH-TOCSY' . . . 19698 2 6 '3D HCCH-TOCSY' . . . 19698 2 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 5.706 0.005 . 1 . . . A -1 G H1' . 19698 2 2 . 1 1 1 1 G H2' H 1 4.75 0.005 . 1 . . . A -1 G H2' . 19698 2 3 . 1 1 1 1 G H3' H 1 4.661 0.005 . 1 . . . A -1 G H3' . 19698 2 4 . 1 1 1 1 G H4' H 1 4.445 0.005 . 1 . . . A -1 G H4' . 19698 2 5 . 1 1 1 1 G C1' C 13 93.681 0.005 . 1 . . . A -1 G C1' . 19698 2 6 . 1 1 1 1 G C2' C 13 74.957 0.005 . 1 . . . A -1 G C2' . 19698 2 7 . 1 1 1 1 G C3' C 13 73.642 0.005 . 1 . . . A -1 G C3' . 19698 2 8 . 1 1 1 1 G C4' C 13 83.443 0.005 . 1 . . . A -1 G C4' . 19698 2 9 . 1 1 3 3 U H1' H 1 5.511 0.005 . 1 . . . A 2 U H1' . 19698 2 10 . 1 1 3 3 U H2' H 1 4.412 0.005 . 1 . . . A 2 U H2' . 19698 2 11 . 1 1 3 3 U H3' H 1 4.484 0.005 . 1 . . . A 2 U H3' . 19698 2 12 . 1 1 3 3 U H4' H 1 4.48 0.005 . 1 . . . A 2 U H4' . 19698 2 13 . 1 1 3 3 U C1' C 13 93.785 0.005 . 1 . . . A 2 U C1' . 19698 2 14 . 1 1 3 3 U C2' C 13 75.388 0.005 . 1 . . . A 2 U C2' . 19698 2 15 . 1 1 3 3 U C3' C 13 72.486 0.005 . 1 . . . A 2 U C3' . 19698 2 16 . 1 1 3 3 U C4' C 13 82.083 0.005 . 1 . . . A 2 U C4' . 19698 2 17 . 1 1 4 4 U H1' H 1 5.672 0.005 . 1 . . . A 3 U H1' . 19698 2 18 . 1 1 4 4 U H2' H 1 4.521 0.005 . 1 . . . A 3 U H2' . 19698 2 19 . 1 1 4 4 U H3' H 1 4.656 0.005 . 1 . . . A 3 U H3' . 19698 2 20 . 1 1 4 4 U H4' H 1 4.474 0.005 . 1 . . . A 3 U H4' . 19698 2 21 . 1 1 4 4 U C1' C 13 93.005 0.005 . 1 . . . A 3 U C1' . 19698 2 22 . 1 1 4 4 U C2' C 13 76.943 0.005 . 1 . . . A 3 U C2' . 19698 2 23 . 1 1 4 4 U C3' C 13 72.249 0.005 . 1 . . . A 3 U C3' . 19698 2 24 . 1 1 4 4 U C4' C 13 81.755 0.005 . 1 . . . A 3 U C4' . 19698 2 25 . 1 1 5 5 G H1' H 1 5.671 0.005 . 1 . . . A 4 G H1' . 19698 2 26 . 1 1 5 5 G H2' H 1 4.47 0.005 . 1 . . . A 4 G H2' . 19698 2 27 . 1 1 5 5 G H3' H 1 4.622 0.005 . 1 . . . A 4 G H3' . 19698 2 28 . 1 1 5 5 G H4' H 1 4.442 0.005 . 1 . . . A 4 G H4' . 19698 2 29 . 1 1 5 5 G H5' H 1 4.341 0.005 . 1 . . . A 4 G H5' . 19698 2 30 . 1 1 5 5 G H5'' H 1 4.1 0.005 . 1 . . . A 4 G H5'' . 19698 2 31 . 1 1 5 5 G C1' C 13 91.084 0.005 . 1 . . . A 4 G C1' . 19698 2 32 . 1 1 5 5 G C2' C 13 75.903 0.005 . 1 . . . A 4 G C2' . 19698 2 33 . 1 1 5 5 G C3' C 13 75.351 0.005 . 1 . . . A 4 G C3' . 19698 2 34 . 1 1 5 5 G C4' C 13 83.896 0.005 . 1 . . . A 4 G C4' . 19698 2 35 . 1 1 5 5 G C5' C 13 66.865 0.005 . 1 . . . A 4 G C5' . 19698 2 36 . 1 1 6 6 G H1' H 1 5.524 0.005 . 1 . . . A 5 G H1' . 19698 2 37 . 1 1 6 6 G H2' H 1 4.427 0.005 . 1 . . . A 5 G H2' . 19698 2 38 . 1 1 6 6 G H3' H 1 4.283 0.005 . 1 . . . A 5 G H3' . 19698 2 39 . 1 1 6 6 G H4' H 1 4.392 0.005 . 1 . . . A 5 G H4' . 19698 2 40 . 1 1 6 6 G H5' H 1 4.436 0.005 . 1 . . . A 5 G H5' . 19698 2 41 . 1 1 6 6 G H5'' H 1 3.995 0.005 . 1 . . . A 5 G H5'' . 19698 2 42 . 1 1 6 6 G C1' C 13 92.773 0.005 . 1 . . . A 5 G C1' . 19698 2 43 . 1 1 6 6 G C2' C 13 75.336 0.005 . 1 . . . A 5 G C2' . 19698 2 44 . 1 1 6 6 G C3' C 13 72.786 0.005 . 1 . . . A 5 G C3' . 19698 2 45 . 1 1 6 6 G C4' C 13 82.005 0.005 . 1 . . . A 5 G C4' . 19698 2 46 . 1 1 6 6 G C5' C 13 65.745 0.005 . 1 . . . A 5 G C5' . 19698 2 47 . 1 1 7 7 U H1' H 1 5.368 0.005 . 1 . . . A 6 U H1' . 19698 2 48 . 1 1 7 7 U H2' H 1 4.34 0.005 . 1 . . . A 6 U H2' . 19698 2 49 . 1 1 7 7 U H3' H 1 4.393 0.005 . 1 . . . A 6 U H3' . 19698 2 50 . 1 1 7 7 U H4' H 1 4.392 0.005 . 1 . . . A 6 U H4' . 19698 2 51 . 1 1 7 7 U C1' C 13 93.609 0.005 . 1 . . . A 6 U C1' . 19698 2 52 . 1 1 7 7 U C2' C 13 75.211 0.005 . 1 . . . A 6 U C2' . 19698 2 53 . 1 1 7 7 U C3' C 13 71.979 0.005 . 1 . . . A 6 U C3' . 19698 2 54 . 1 1 7 7 U C4' C 13 82.06 0.005 . 1 . . . A 6 U C4' . 19698 2 55 . 1 1 8 8 G H1' H 1 5.704 0.005 . 1 . . . A 7 G H1' . 19698 2 56 . 1 1 8 8 G H2' H 1 4.01 0.005 . 1 . . . A 7 G H2' . 19698 2 57 . 1 1 8 8 G H3' H 1 4.661 0.005 . 1 . . . A 7 G H3' . 19698 2 58 . 1 1 8 8 G H4' H 1 4.304 0.005 . 1 . . . A 7 G H4' . 19698 2 59 . 1 1 8 8 G C1' C 13 93.134 0.005 . 1 . . . A 7 G C1' . 19698 2 60 . 1 1 8 8 G C2' C 13 75.801 0.005 . 1 . . . A 7 G C2' . 19698 2 61 . 1 1 8 8 G C3' C 13 73.51 0.005 . 1 . . . A 7 G C3' . 19698 2 62 . 1 1 8 8 G C4' C 13 82.282 0.005 . 1 . . . A 7 G C4' . 19698 2 63 . 1 1 9 9 C H1' H 1 5.679 0.005 . 1 . . . A 8 C H1' . 19698 2 64 . 1 1 9 9 C H2' H 1 4.282 0.005 . 1 . . . A 8 C H2' . 19698 2 65 . 1 1 9 9 C H3' H 1 4.623 0.005 . 1 . . . A 8 C H3' . 19698 2 66 . 1 1 9 9 C H4' H 1 4.378 0.005 . 1 . . . A 8 C H4' . 19698 2 67 . 1 1 9 9 C H5' H 1 4.333 0.005 . 1 . . . A 8 C H5' . 19698 2 68 . 1 1 9 9 C H5'' H 1 4.012 0.005 . 1 . . . A 8 C H5'' . 19698 2 69 . 1 1 9 9 C C1' C 13 91.212 0.005 . 1 . . . A 8 C C1' . 19698 2 70 . 1 1 9 9 C C2' C 13 75.178 0.005 . 1 . . . A 8 C C2' . 19698 2 71 . 1 1 9 9 C C3' C 13 77.507 0.005 . 1 . . . A 8 C C3' . 19698 2 72 . 1 1 9 9 C C4' C 13 85.218 0.005 . 1 . . . A 8 C C4' . 19698 2 73 . 1 1 9 9 C C5' C 13 67.593 0.005 . 1 . . . A 8 C C5' . 19698 2 74 . 1 1 10 10 U H1' H 1 5.545 0.005 . 1 . . . A 9 U H1' . 19698 2 75 . 1 1 10 10 U H2' H 1 4.673 0.005 . 1 . . . A 9 U H2' . 19698 2 76 . 1 1 10 10 U H3' H 1 4.345 0.005 . 1 . . . A 9 U H3' . 19698 2 77 . 1 1 10 10 U H4' H 1 4.468 0.005 . 1 . . . A 9 U H4' . 19698 2 78 . 1 1 10 10 U C1' C 13 94.2 0.005 . 1 . . . A 9 U C1' . 19698 2 79 . 1 1 10 10 U C2' C 13 75.089 0.005 . 1 . . . A 9 U C2' . 19698 2 80 . 1 1 10 10 U C3' C 13 72.319 0.005 . 1 . . . A 9 U C3' . 19698 2 81 . 1 1 10 10 U C4' C 13 82.13 0.005 . 1 . . . A 9 U C4' . 19698 2 82 . 1 1 11 11 U H1' H 1 5.608 0.005 . 1 . . . A 10 U H1' . 19698 2 83 . 1 1 11 11 U H2' H 1 4.204 0.005 . 1 . . . A 10 U H2' . 19698 2 84 . 1 1 11 11 U H3' H 1 4.354 0.005 . 1 . . . A 10 U H3' . 19698 2 85 . 1 1 11 11 U H4' H 1 4.445 0.005 . 1 . . . A 10 U H4' . 19698 2 86 . 1 1 11 11 U H5' H 1 4.156 0.005 . 1 . . . A 10 U H5' . 19698 2 87 . 1 1 11 11 U H5'' H 1 4.035 0.005 . 1 . . . A 10 U H5'' . 19698 2 88 . 1 1 11 11 U C1' C 13 94.597 0.005 . 1 . . . A 10 U C1' . 19698 2 89 . 1 1 11 11 U C2' C 13 76.638 0.005 . 1 . . . A 10 U C2' . 19698 2 90 . 1 1 11 11 U C3' C 13 71.64 0.005 . 1 . . . A 10 U C3' . 19698 2 91 . 1 1 11 11 U C4' C 13 81.946 0.005 . 1 . . . A 10 U C4' . 19698 2 92 . 1 1 11 11 U C5' C 13 66.847 0.005 . 1 . . . A 10 U C5' . 19698 2 93 . 1 1 12 12 A H1' H 1 6.015 0.005 . 1 . . . A 11 A H1' . 19698 2 94 . 1 1 12 12 A H2' H 1 4.542 0.005 . 1 . . . A 11 A H2' . 19698 2 95 . 1 1 12 12 A H3' H 1 4.9 0.005 . 1 . . . A 11 A H3' . 19698 2 96 . 1 1 12 12 A H4' H 1 4.613 0.005 . 1 . . . A 11 A H4' . 19698 2 97 . 1 1 12 12 A H5' H 1 4.073 0.005 . 1 . . . A 11 A H5' . 19698 2 98 . 1 1 12 12 A H5'' H 1 4.155 0.005 . 1 . . . A 11 A H5'' . 19698 2 99 . 1 1 12 12 A C1' C 13 88.72 0.005 . 1 . . . A 11 A C1' . 19698 2 100 . 1 1 12 12 A C2' C 13 78.275 0.005 . 1 . . . A 11 A C2' . 19698 2 101 . 1 1 12 12 A C3' C 13 78.205 0.005 . 1 . . . A 11 A C3' . 19698 2 102 . 1 1 12 12 A C4' C 13 85.809 0.005 . 1 . . . A 11 A C4' . 19698 2 103 . 1 1 12 12 A C5' C 13 67.572 0.005 . 1 . . . A 11 A C5' . 19698 2 104 . 1 1 13 13 G H1' H 1 5.921 0.005 . 1 . . . A 12 G H1' . 19698 2 105 . 1 1 13 13 G H2' H 1 4.983 0.005 . 1 . . . A 12 G H2' . 19698 2 106 . 1 1 13 13 G H3' H 1 4.875 0.005 . 1 . . . A 12 G H3' . 19698 2 107 . 1 1 13 13 G H4' H 1 4.573 0.005 . 1 . . . A 12 G H4' . 19698 2 108 . 1 1 13 13 G H5' H 1 4.469 0.005 . 1 . . . A 12 G H5' . 19698 2 109 . 1 1 13 13 G H5'' H 1 4.286 0.005 . 1 . . . A 12 G H5'' . 19698 2 110 . 1 1 13 13 G C1' C 13 92.654 0.005 . 1 . . . A 12 G C1' . 19698 2 111 . 1 1 13 13 G C2' C 13 75.323 0.005 . 1 . . . A 12 G C2' . 19698 2 112 . 1 1 13 13 G C3' C 13 75.323 0.005 . 1 . . . A 12 G C3' . 19698 2 113 . 1 1 13 13 G C4' C 13 84.373 0.005 . 1 . . . A 12 G C4' . 19698 2 114 . 1 1 13 13 G C5' C 13 67.218 0.005 . 1 . . . A 12 G C5' . 19698 2 115 . 1 1 14 14 C H1' H 1 5.567 0.005 . 1 . . . A 13 C H1' . 19698 2 116 . 1 1 14 14 C H2' H 1 4.455 0.005 . 1 . . . A 13 C H2' . 19698 2 117 . 1 1 14 14 C H3' H 1 4.553 0.005 . 1 . . . A 13 C H3' . 19698 2 118 . 1 1 14 14 C H4' H 1 4.455 0.005 . 1 . . . A 13 C H4' . 19698 2 119 . 1 1 14 14 C H5' H 1 4.577 0.005 . 1 . . . A 13 C H5' . 19698 2 120 . 1 1 14 14 C H5'' H 1 4.105 0.005 . 1 . . . A 13 C H5'' . 19698 2 121 . 1 1 14 14 C C1' C 13 94.347 0.005 . 1 . . . A 13 C C1' . 19698 2 122 . 1 1 14 14 C C2' C 13 76.149 0.005 . 1 . . . A 13 C C2' . 19698 2 123 . 1 1 14 14 C C3' C 13 73.013 0.005 . 1 . . . A 13 C C3' . 19698 2 124 . 1 1 14 14 C C4' C 13 82.401 0.005 . 1 . . . A 13 C C4' . 19698 2 125 . 1 1 14 14 C C5' C 13 65.351 0.005 . 1 . . . A 13 C C5' . 19698 2 126 . 1 1 15 15 U H1' H 1 5.536 0.005 . 1 . . . A 14 U H1' . 19698 2 127 . 1 1 15 15 U H2' H 1 4.647 0.005 . 1 . . . A 14 U H2' . 19698 2 128 . 1 1 15 15 U H4' H 1 4.489 0.005 . 1 . . . A 14 U H4' . 19698 2 129 . 1 1 15 15 U C1' C 13 93.865 0.005 . 1 . . . A 14 U C1' . 19698 2 130 . 1 1 15 15 U C2' C 13 75.219 0.005 . 1 . . . A 14 U C2' . 19698 2 131 . 1 1 15 15 U C4' C 13 82.037 0.005 . 1 . . . A 14 U C4' . 19698 2 132 . 1 1 16 16 U H1' H 1 5.556 0.005 . 1 . . . A 15 U H1' . 19698 2 133 . 1 1 16 16 U H2' H 1 4.169 0.005 . 1 . . . A 15 U H2' . 19698 2 134 . 1 1 16 16 U H3' H 1 4.579 0.005 . 1 . . . A 15 U H3' . 19698 2 135 . 1 1 16 16 U H4' H 1 4.469 0.005 . 1 . . . A 15 U H4' . 19698 2 136 . 1 1 16 16 U H5'' H 1 4.184 0.005 . 1 . . . A 15 U H5'' . 19698 2 137 . 1 1 16 16 U C1' C 13 93.775 0.005 . 1 . . . A 15 U C1' . 19698 2 138 . 1 1 16 16 U C2' C 13 75.934 0.005 . 1 . . . A 15 U C2' . 19698 2 139 . 1 1 16 16 U C3' C 13 72.125 0.005 . 1 . . . A 15 U C3' . 19698 2 140 . 1 1 16 16 U C4' C 13 82.202 0.005 . 1 . . . A 15 U C4' . 19698 2 141 . 1 1 18 18 U H1' H 1 5.474 0.005 . 1 . . . A 17 U H1' . 19698 2 142 . 1 1 18 18 U H2' H 1 4.442 0.005 . 1 . . . A 17 U H2' . 19698 2 143 . 1 1 18 18 U H3' H 1 4.057 0.005 . 1 . . . A 17 U H3' . 19698 2 144 . 1 1 18 18 U H4' H 1 4.227 0.005 . 1 . . . A 17 U H4' . 19698 2 145 . 1 1 18 18 U H5' H 1 4.014 0.005 . 1 . . . A 17 U H5' . 19698 2 146 . 1 1 18 18 U C1' C 13 91.294 0.005 . 1 . . . A 17 U C1' . 19698 2 147 . 1 1 18 18 U C2' C 13 75.212 0.005 . 1 . . . A 17 U C2' . 19698 2 148 . 1 1 18 18 U C3' C 13 75.84 0.005 . 1 . . . A 17 U C3' . 19698 2 149 . 1 1 18 18 U C4' C 13 83.89 0.005 . 1 . . . A 17 U C4' . 19698 2 150 . 1 1 18 18 U C5' C 13 66.306 0.005 . 1 . . . A 17 U C5' . 19698 2 151 . 1 1 19 19 U H1' H 1 5.698 0.005 . 1 . . . A 18 U H1' . 19698 2 152 . 1 1 19 19 U H2' H 1 4.742 0.005 . 1 . . . A 18 U H2' . 19698 2 153 . 1 1 19 19 U H3' H 1 4.454 0.005 . 1 . . . A 18 U H3' . 19698 2 154 . 1 1 19 19 U H4' H 1 4.568 0.005 . 1 . . . A 18 U H4' . 19698 2 155 . 1 1 19 19 U C1' C 13 93.439 0.005 . 1 . . . A 18 U C1' . 19698 2 156 . 1 1 19 19 U C2' C 13 75.476 0.005 . 1 . . . A 18 U C2' . 19698 2 157 . 1 1 19 19 U C3' C 13 72.197 0.005 . 1 . . . A 18 U C3' . 19698 2 158 . 1 1 19 19 U C4' C 13 81.848 0.005 . 1 . . . A 18 U C4' . 19698 2 159 . 1 1 20 20 U H2' H 1 4.274 0.005 . 1 . . . A 19 U H2' . 19698 2 160 . 1 1 20 20 U H3' H 1 4.157 0.005 . 1 . . . A 19 U H3' . 19698 2 161 . 1 1 20 20 U H4' H 1 4.667 0.005 . 1 . . . A 19 U H4' . 19698 2 162 . 1 1 20 20 U C2' C 13 73.569 0.005 . 1 . . . A 19 U C2' . 19698 2 163 . 1 1 20 20 U C3' C 13 71.682 0.005 . 1 . . . A 19 U C3' . 19698 2 164 . 1 1 20 20 U C4' C 13 82.271 0.005 . 1 . . . A 19 U C4' . 19698 2 165 . 1 1 21 21 C H1' H 1 3.424 0.005 . 1 . . . A 20 C H1' . 19698 2 166 . 1 1 21 21 C H2' H 1 3.741 0.005 . 1 . . . A 20 C H2' . 19698 2 167 . 1 1 21 21 C H3' H 1 4.175 0.005 . 1 . . . A 20 C H3' . 19698 2 168 . 1 1 21 21 C H4' H 1 3.11 0.005 . 1 . . . A 20 C H4' . 19698 2 169 . 1 1 21 21 C C1' C 13 94.625 0.005 . 1 . . . A 20 C C1' . 19698 2 170 . 1 1 21 21 C C2' C 13 74.561 0.005 . 1 . . . A 20 C C2' . 19698 2 171 . 1 1 21 21 C C3' C 13 71.786 0.005 . 1 . . . A 20 C C3' . 19698 2 172 . 1 1 21 21 C C4' C 13 82.415 0.005 . 1 . . . A 20 C C4' . 19698 2 173 . 1 1 22 22 A H1' H 1 5.692 0.005 . 1 . . . A 21 A H1' . 19698 2 174 . 1 1 22 22 A H2' H 1 4.243 0.005 . 1 . . . A 21 A H2' . 19698 2 175 . 1 1 22 22 A H3' H 1 4.637 0.005 . 1 . . . A 21 A H3' . 19698 2 176 . 1 1 22 22 A H4' H 1 4.266 0.005 . 1 . . . A 21 A H4' . 19698 2 177 . 1 1 22 22 A H5'' H 1 3.945 0.005 . 1 . . . A 21 A H5'' . 19698 2 178 . 1 1 22 22 A C1' C 13 92.597 0.005 . 1 . . . A 21 A C1' . 19698 2 179 . 1 1 22 22 A C2' C 13 75.476 0.005 . 1 . . . A 21 A C2' . 19698 2 180 . 1 1 22 22 A C3' C 13 71.778 0.005 . 1 . . . A 21 A C3' . 19698 2 181 . 1 1 22 22 A C4' C 13 81.649 0.005 . 1 . . . A 21 A C4' . 19698 2 182 . 1 1 22 22 A C5' C 13 63.533 0.005 . 1 . . . A 21 A C5' . 19698 2 183 . 1 1 23 23 C H1' H 1 5.313 0.005 . 1 . . . A 22 C H1' . 19698 2 184 . 1 1 23 23 C H2' H 1 4.037 0.005 . 1 . . . A 22 C H2' . 19698 2 185 . 1 1 23 23 C H3' H 1 4.311 0.005 . 1 . . . A 22 C H3' . 19698 2 186 . 1 1 23 23 C H4' H 1 4.283 0.005 . 1 . . . A 22 C H4' . 19698 2 187 . 1 1 23 23 C C1' C 13 93.878 0.005 . 1 . . . A 22 C C1' . 19698 2 188 . 1 1 23 23 C C2' C 13 76.253 0.005 . 1 . . . A 22 C C2' . 19698 2 189 . 1 1 23 23 C C3' C 13 72.588 0.005 . 1 . . . A 22 C C3' . 19698 2 190 . 1 1 23 23 C C4' C 13 82.113 0.005 . 1 . . . A 22 C C4' . 19698 2 191 . 1 1 24 24 C H1' H 1 5.378 0.005 . 1 . . . A 23 C H1' . 19698 2 192 . 1 1 24 24 C H3' H 1 4.528 0.005 . 1 . . . A 23 C H3' . 19698 2 193 . 1 1 24 24 C H4' H 1 4.342 0.005 . 1 . . . A 23 C H4' . 19698 2 194 . 1 1 24 24 C C1' C 13 93.77 0.005 . 1 . . . A 23 C C1' . 19698 2 195 . 1 1 24 24 C C3' C 13 72.301 0.005 . 1 . . . A 23 C C3' . 19698 2 196 . 1 1 24 24 C C4' C 13 81.918 0.005 . 1 . . . A 23 C C4' . 19698 2 197 . 1 1 25 25 A H1' H 1 5.804 0.005 . 1 . . . A 24 A H1' . 19698 2 198 . 1 1 25 25 A H2' H 1 4.394 0.005 . 1 . . . A 24 A H2' . 19698 2 199 . 1 1 25 25 A H3' H 1 4.809 0.005 . 1 . . . A 24 A H3' . 19698 2 200 . 1 1 25 25 A H4' H 1 4.471 0.005 . 1 . . . A 24 A H4' . 19698 2 201 . 1 1 25 25 A H5' H 1 4.155 0.005 . 1 . . . A 24 A H5' . 19698 2 202 . 1 1 25 25 A H5'' H 1 4.554 0.005 . 1 . . . A 24 A H5'' . 19698 2 203 . 1 1 25 25 A C2' C 13 75.815 0.005 . 1 . . . A 24 A C2' . 19698 2 204 . 1 1 25 25 A C3' C 13 72.459 0.005 . 1 . . . A 24 A C3' . 19698 2 205 . 1 1 25 25 A C4' C 13 81.854 0.005 . 1 . . . A 24 A C4' . 19698 2 206 . 1 1 25 25 A C5' C 13 64.779 0.005 . 1 . . . A 24 A C5' . 19698 2 207 . 1 1 26 26 A H1' H 1 5.851 0.005 . 1 . . . A 25 A H1' . 19698 2 208 . 1 1 26 26 A H2' H 1 4.457 0.005 . 1 . . . A 25 A H2' . 19698 2 209 . 1 1 26 26 A H3' H 1 4.684 0.005 . 1 . . . A 25 A H3' . 19698 2 210 . 1 1 26 26 A H4' H 1 4.464 0.005 . 1 . . . A 25 A H4' . 19698 2 211 . 1 1 26 26 A C1' C 13 92.217 0.005 . 1 . . . A 25 A C1' . 19698 2 212 . 1 1 26 26 A C2' C 13 75.845 0.005 . 1 . . . A 25 A C2' . 19698 2 213 . 1 1 26 26 A C3' C 13 72.482 0.005 . 1 . . . A 25 A C3' . 19698 2 214 . 1 1 26 26 A C4' C 13 81.763 0.005 . 1 . . . A 25 A C4' . 19698 2 215 . 1 1 27 27 G H1' H 1 5.467 0.005 . 1 . . . A 26 G H1' . 19698 2 216 . 1 1 27 27 G H2' H 1 4.316 0.005 . 1 . . . A 26 G H2' . 19698 2 217 . 1 1 27 27 G H3' H 1 4.317 0.005 . 1 . . . A 26 G H3' . 19698 2 218 . 1 1 27 27 G H4' H 1 4.379 0.005 . 1 . . . A 26 G H4' . 19698 2 219 . 1 1 27 27 G H5' H 1 4.415 0.005 . 1 . . . A 26 G H5' . 19698 2 220 . 1 1 27 27 G H5'' H 1 4.013 0.005 . 1 . . . A 26 G H5'' . 19698 2 221 . 1 1 27 27 G C1' C 13 92.513 0.005 . 1 . . . A 26 G C1' . 19698 2 222 . 1 1 27 27 G C2' C 13 75.548 0.005 . 1 . . . A 26 G C2' . 19698 2 223 . 1 1 27 27 G C3' C 13 72.656 0.005 . 1 . . . A 26 G C3' . 19698 2 224 . 1 1 27 27 G C4' C 13 81.982 0.005 . 1 . . . A 26 G C4' . 19698 2 225 . 1 1 27 27 G C5' C 13 65.712 0.005 . 1 . . . A 26 G C5' . 19698 2 226 . 1 1 28 28 C H1' H 1 5.345 0.005 . 1 . . . A 27 C H1' . 19698 2 227 . 1 1 28 28 C H2' H 1 4.362 0.005 . 1 . . . A 27 C H2' . 19698 2 228 . 1 1 28 28 C H3' H 1 4.495 0.005 . 1 . . . A 27 C H3' . 19698 2 229 . 1 1 28 28 C H4' H 1 4.309 0.005 . 1 . . . A 27 C H4' . 19698 2 230 . 1 1 28 28 C H5' H 1 4.382 0.005 . 1 . . . A 27 C H5' . 19698 2 231 . 1 1 28 28 C H5'' H 1 3.97 0.005 . 1 . . . A 27 C H5'' . 19698 2 232 . 1 1 28 28 C C1' C 13 94.283 0.005 . 1 . . . A 27 C C1' . 19698 2 233 . 1 1 28 28 C C2' C 13 76.27 0.005 . 1 . . . A 27 C C2' . 19698 2 234 . 1 1 28 28 C C3' C 13 72.814 0.005 . 1 . . . A 27 C C3' . 19698 2 235 . 1 1 28 28 C C4' C 13 82.431 0.005 . 1 . . . A 27 C C4' . 19698 2 236 . 1 1 28 28 C C5' C 13 65.652 0.005 . 1 . . . A 27 C C5' . 19698 2 237 . 1 1 29 29 A H1' H 1 5.963 0.005 . 1 . . . A 28 A H1' . 19698 2 238 . 1 1 29 29 A H2' H 1 4.422 0.005 . 1 . . . A 28 A H2' . 19698 2 239 . 1 1 29 29 A H3' H 1 4.534 0.005 . 1 . . . A 28 A H3' . 19698 2 240 . 1 1 29 29 A H4' H 1 4.425 0.005 . 1 . . . A 28 A H4' . 19698 2 241 . 1 1 29 29 A H5' H 1 4.085 0.005 . 1 . . . A 28 A H5' . 19698 2 242 . 1 1 29 29 A H5'' H 1 4.402 0.005 . 1 . . . A 28 A H5'' . 19698 2 243 . 1 1 29 29 A C1' C 13 91.826 0.005 . 1 . . . A 28 A C1' . 19698 2 244 . 1 1 29 29 A C2' C 13 76.42 0.005 . 1 . . . A 28 A C2' . 19698 2 245 . 1 1 29 29 A C3' C 13 75.063 0.005 . 1 . . . A 28 A C3' . 19698 2 246 . 1 1 29 29 A C4' C 13 83.603 0.005 . 1 . . . A 28 A C4' . 19698 2 247 . 1 1 29 29 A C5' C 13 66.469 0.005 . 1 . . . A 28 A C5' . 19698 2 248 . 1 1 30 30 U H1' H 1 5.653 0.005 . 1 . . . A 29 U H1' . 19698 2 249 . 1 1 30 30 U H2' H 1 4.167 0.005 . 1 . . . A 29 U H2' . 19698 2 250 . 1 1 30 30 U H3' H 1 4.52 0.005 . 1 . . . A 29 U H3' . 19698 2 251 . 1 1 30 30 U H4' H 1 4.191 0.005 . 1 . . . A 29 U H4' . 19698 2 252 . 1 1 30 30 U H5' H 1 3.985 0.005 . 1 . . . A 29 U H5' . 19698 2 253 . 1 1 30 30 U H5'' H 1 4.054 0.005 . 1 . . . A 29 U H5'' . 19698 2 254 . 1 1 30 30 U C1' C 13 90.381 0.005 . 1 . . . A 29 U C1' . 19698 2 255 . 1 1 30 30 U C2' C 13 75.799 0.005 . 1 . . . A 29 U C2' . 19698 2 256 . 1 1 30 30 U C3' C 13 76.949 0.005 . 1 . . . A 29 U C3' . 19698 2 257 . 1 1 30 30 U C4' C 13 84.405 0.005 . 1 . . . A 29 U C4' . 19698 2 258 . 1 1 30 30 U C5' C 13 67.326 0.005 . 1 . . . A 29 U C5' . 19698 2 259 . 1 1 31 31 A H1' H 1 6.048 0.005 . 1 . . . A 30 A H1' . 19698 2 260 . 1 1 31 31 A H2' H 1 4.858 0.005 . 1 . . . A 30 A H2' . 19698 2 261 . 1 1 31 31 A H3' H 1 4.789 0.005 . 1 . . . A 30 A H3' . 19698 2 262 . 1 1 31 31 A H4' H 1 4.537 0.005 . 1 . . . A 30 A H4' . 19698 2 263 . 1 1 31 31 A H5' H 1 4.13 0.005 . 1 . . . A 30 A H5' . 19698 2 264 . 1 1 31 31 A H5'' H 1 4.237 0.005 . 1 . . . A 30 A H5'' . 19698 2 265 . 1 1 31 31 A C1' C 13 90.453 0.005 . 1 . . . A 30 A C1' . 19698 2 266 . 1 1 31 31 A C2' C 13 76.029 0.005 . 1 . . . A 30 A C2' . 19698 2 267 . 1 1 31 31 A C3' C 13 76.961 0.005 . 1 . . . A 30 A C3' . 19698 2 268 . 1 1 31 31 A C4' C 13 85.222 0.005 . 1 . . . A 30 A C4' . 19698 2 269 . 1 1 31 31 A C5' C 13 67.913 0.005 . 1 . . . A 30 A C5' . 19698 2 270 . 1 1 32 32 U H1' H 1 5.885 0.005 . 1 . . . A 31 U H1' . 19698 2 271 . 1 1 32 32 U H2' H 1 4.427 0.005 . 1 . . . A 31 U H2' . 19698 2 272 . 1 1 32 32 U H3' H 1 4.684 0.005 . 1 . . . A 31 U H3' . 19698 2 273 . 1 1 32 32 U H4' H 1 4.474 0.005 . 1 . . . A 31 U H4' . 19698 2 274 . 1 1 32 32 U H5' H 1 4.195 0.005 . 1 . . . A 31 U H5' . 19698 2 275 . 1 1 32 32 U H5'' H 1 4.296 0.005 . 1 . . . A 31 U H5'' . 19698 2 276 . 1 1 32 32 U C1' C 13 91.206 0.005 . 1 . . . A 31 U C1' . 19698 2 277 . 1 1 32 32 U C2' C 13 75.584 0.005 . 1 . . . A 31 U C2' . 19698 2 278 . 1 1 32 32 U C3' C 13 76.448 0.005 . 1 . . . A 31 U C3' . 19698 2 279 . 1 1 32 32 U C4' C 13 84.602 0.005 . 1 . . . A 31 U C4' . 19698 2 280 . 1 1 32 32 U C5' C 13 67.556 0.005 . 1 . . . A 31 U C5' . 19698 2 281 . 1 1 33 33 U H1' H 1 5.853 0.005 . 1 . . . A 32 U H1' . 19698 2 282 . 1 1 33 33 U H2' H 1 4.377 0.005 . 1 . . . A 32 U H2' . 19698 2 283 . 1 1 33 33 U H3' H 1 4.675 0.005 . 1 . . . A 32 U H3' . 19698 2 284 . 1 1 33 33 U H4' H 1 4.427 0.005 . 1 . . . A 32 U H4' . 19698 2 285 . 1 1 33 33 U H5' H 1 4.222 0.005 . 1 . . . A 32 U H5' . 19698 2 286 . 1 1 33 33 U H5'' H 1 4.139 0.005 . 1 . . . A 32 U H5'' . 19698 2 287 . 1 1 33 33 U C1' C 13 91.284 0.005 . 1 . . . A 32 U C1' . 19698 2 288 . 1 1 33 33 U C2' C 13 75.541 0.005 . 1 . . . A 32 U C2' . 19698 2 289 . 1 1 33 33 U C3' C 13 76.573 0.005 . 1 . . . A 32 U C3' . 19698 2 290 . 1 1 33 33 U C4' C 13 84.736 0.005 . 1 . . . A 32 U C4' . 19698 2 291 . 1 1 33 33 U C5' C 13 67.625 0.005 . 1 . . . A 32 U C5' . 19698 2 292 . 1 1 34 34 A H1' H 1 6.14 0.005 . 1 . . . A 33 A H1' . 19698 2 293 . 1 1 34 34 A H2' H 1 4.924 0.005 . 1 . . . A 33 A H2' . 19698 2 294 . 1 1 34 34 A H3' H 1 4.871 0.005 . 1 . . . A 33 A H3' . 19698 2 295 . 1 1 34 34 A H4' H 1 4.648 0.005 . 1 . . . A 33 A H4' . 19698 2 296 . 1 1 34 34 A H5' H 1 4.294 0.005 . 1 . . . A 33 A H5' . 19698 2 297 . 1 1 34 34 A H5'' H 1 4.412 0.005 . 1 . . . A 33 A H5'' . 19698 2 298 . 1 1 34 34 A C1' C 13 90.971 0.005 . 1 . . . A 33 A C1' . 19698 2 299 . 1 1 34 34 A C2' C 13 75.928 0.005 . 1 . . . A 33 A C2' . 19698 2 300 . 1 1 34 34 A C3' C 13 75.928 0.005 . 1 . . . A 33 A C3' . 19698 2 301 . 1 1 34 34 A C4' C 13 84.776 0.005 . 1 . . . A 33 A C4' . 19698 2 302 . 1 1 34 34 A C5' C 13 67.401 0.005 . 1 . . . A 33 A C5' . 19698 2 303 . 1 1 35 35 C H1' H 1 6.054 0.005 . 1 . . . A 34 C H1' . 19698 2 304 . 1 1 35 35 C H2' H 1 4.429 0.005 . 1 . . . A 34 C H2' . 19698 2 305 . 1 1 35 35 C H3' H 1 4.803 0.005 . 1 . . . A 34 C H3' . 19698 2 306 . 1 1 35 35 C H4' H 1 4.556 0.005 . 1 . . . A 34 C H4' . 19698 2 307 . 1 1 35 35 C H5' H 1 4.41 0.005 . 1 . . . A 34 C H5' . 19698 2 308 . 1 1 35 35 C H5'' H 1 4.282 0.005 . 1 . . . A 34 C H5'' . 19698 2 309 . 1 1 35 35 C C1' C 13 92.41 0.005 . 1 . . . A 34 C C1' . 19698 2 310 . 1 1 35 35 C C2' C 13 76.722 0.005 . 1 . . . A 34 C C2' . 19698 2 311 . 1 1 35 35 C C3' C 13 76.688 0.005 . 1 . . . A 34 C C3' . 19698 2 312 . 1 1 35 35 C C4' C 13 85.103 0.005 . 1 . . . A 34 C C4' . 19698 2 313 . 1 1 35 35 C C5' C 13 67.983 0.005 . 1 . . . A 34 C C5' . 19698 2 314 . 1 1 36 36 A H1' H 1 6.215 0.005 . 1 . . . A 35 A H1' . 19698 2 315 . 1 1 36 36 A H2' H 1 4.852 0.005 . 1 . . . A 35 A H2' . 19698 2 316 . 1 1 36 36 A H3' H 1 4.666 0.005 . 1 . . . A 35 A H3' . 19698 2 317 . 1 1 36 36 A H4' H 1 4.625 0.005 . 1 . . . A 35 A H4' . 19698 2 318 . 1 1 36 36 A H5' H 1 4.572 0.005 . 1 . . . A 35 A H5' . 19698 2 319 . 1 1 36 36 A H5'' H 1 4.373 0.005 . 1 . . . A 35 A H5'' . 19698 2 320 . 1 1 36 36 A C1' C 13 93.601 0.005 . 1 . . . A 35 A C1' . 19698 2 321 . 1 1 36 36 A C2' C 13 75.844 0.005 . 1 . . . A 35 A C2' . 19698 2 322 . 1 1 36 36 A C3' C 13 73.51 0.005 . 1 . . . A 35 A C3' . 19698 2 323 . 1 1 36 36 A C4' C 13 83.18 0.005 . 1 . . . A 35 A C4' . 19698 2 324 . 1 1 36 36 A C5' C 13 66.211 0.005 . 1 . . . A 35 A C5' . 19698 2 325 . 1 1 38 38 G H1' H 1 5.661 0.005 . 1 . . . A 37 G H1' . 19698 2 326 . 1 1 38 38 G H2' H 1 4.625 0.005 . 1 . . . A 37 G H2' . 19698 2 327 . 1 1 38 38 G H3' H 1 4.447 0.005 . 1 . . . A 37 G H3' . 19698 2 328 . 1 1 38 38 G H4' H 1 4.524 0.005 . 1 . . . A 37 G H4' . 19698 2 329 . 1 1 38 38 G C1' C 13 93.068 0.005 . 1 . . . A 37 G C1' . 19698 2 330 . 1 1 38 38 G C2' C 13 75.338 0.005 . 1 . . . A 37 G C2' . 19698 2 331 . 1 1 38 38 G C3' C 13 73.839 0.005 . 1 . . . A 37 G C3' . 19698 2 332 . 1 1 38 38 G C4' C 13 82.622 0.005 . 1 . . . A 37 G C4' . 19698 2 333 . 1 1 39 39 C H1' H 1 5.889 0.005 . 1 . . . A 38 C H1' . 19698 2 334 . 1 1 39 39 C H2' H 1 4.37 0.005 . 1 . . . A 38 C H2' . 19698 2 335 . 1 1 39 39 C H4' H 1 4.435 0.005 . 1 . . . A 38 C H4' . 19698 2 336 . 1 1 39 39 C H5' H 1 4.271 0.005 . 1 . . . A 38 C H5' . 19698 2 337 . 1 1 39 39 C H5'' H 1 4.149 0.005 . 1 . . . A 38 C H5'' . 19698 2 338 . 1 1 39 39 C C1' C 13 95.289 0.005 . 1 . . . A 38 C C1' . 19698 2 339 . 1 1 39 39 C C2' C 13 85.027 0.005 . 1 . . . A 38 C C2' . 19698 2 340 . 1 1 39 39 C C4' C 13 86.998 0.005 . 1 . . . A 38 C C4' . 19698 2 341 . 1 1 39 39 C C5' C 13 68.172 0.005 . 1 . . . A 38 C C5' . 19698 2 342 . 1 1 40 40 G H1' H 1 5.799 0.005 . 1 . . . A 39 G H1' . 19698 2 343 . 1 1 40 40 G H2' H 1 4.41 0.005 . 1 . . . A 39 G H2' . 19698 2 344 . 1 1 40 40 G H3' H 1 4.802 0.005 . 1 . . . A 39 G H3' . 19698 2 345 . 1 1 40 40 G H4' H 1 4.498 0.005 . 1 . . . A 39 G H4' . 19698 2 346 . 1 1 40 40 G C1' C 13 92.533 0.005 . 1 . . . A 39 G C1' . 19698 2 347 . 1 1 40 40 G C2' C 13 75.871 0.005 . 1 . . . A 39 G C2' . 19698 2 348 . 1 1 40 40 G C3' C 13 72.757 0.005 . 1 . . . A 39 G C3' . 19698 2 349 . 1 1 40 40 G C4' C 13 81.87 0.005 . 1 . . . A 39 G C4' . 19698 2 350 . 1 1 41 41 G H1' H 1 5.982 0.005 . 1 . . . A 40 G H1' . 19698 2 351 . 1 1 41 41 G H2' H 1 4.532 0.005 . 1 . . . A 40 G H2' . 19698 2 352 . 1 1 41 41 G H3' H 1 4.504 0.005 . 1 . . . A 40 G H3' . 19698 2 353 . 1 1 41 41 G H4' H 1 4.47 0.005 . 1 . . . A 40 G H4' . 19698 2 354 . 1 1 41 41 G C1' C 13 92.309 0.005 . 1 . . . A 40 G C1' . 19698 2 355 . 1 1 41 41 G C2' C 13 76.307 0.005 . 1 . . . A 40 G C2' . 19698 2 356 . 1 1 41 41 G C3' C 13 72.454 0.005 . 1 . . . A 40 G C3' . 19698 2 357 . 1 1 41 41 G C4' C 13 82.242 0.005 . 1 . . . A 40 G C4' . 19698 2 358 . 1 1 42 42 A H1' H 1 5.881 0.005 . 1 . . . A 41 A H1' . 19698 2 359 . 1 1 42 42 A H2' H 1 4.622 0.005 . 1 . . . A 41 A H2' . 19698 2 360 . 1 1 42 42 A H3' H 1 4.564 0.005 . 1 . . . A 41 A H3' . 19698 2 361 . 1 1 42 42 A H4' H 1 4.541 0.005 . 1 . . . A 41 A H4' . 19698 2 362 . 1 1 42 42 A C1' C 13 92.549 0.005 . 1 . . . A 41 A C1' . 19698 2 363 . 1 1 42 42 A C2' C 13 75.609 0.005 . 1 . . . A 41 A C2' . 19698 2 364 . 1 1 42 42 A C3' C 13 72.98 0.005 . 1 . . . A 41 A C3' . 19698 2 365 . 1 1 42 42 A C4' C 13 82.876 0.005 . 1 . . . A 41 A C4' . 19698 2 366 . 1 1 43 43 U H1' H 1 5.427 0.005 . 1 . . . A 42 U H1' . 19698 2 367 . 1 1 43 43 U H2' H 1 4.174 0.005 . 1 . . . A 42 U H2' . 19698 2 368 . 1 1 43 43 U H3' H 1 4.455 0.005 . 1 . . . A 42 U H3' . 19698 2 369 . 1 1 43 43 U H4' H 1 4.257 0.005 . 1 . . . A 42 U H4' . 19698 2 370 . 1 1 43 43 U H5' H 1 4.067 0.005 . 1 . . . A 42 U H5' . 19698 2 371 . 1 1 43 43 U H5'' H 1 4.243 0.005 . 1 . . . A 42 U H5'' . 19698 2 372 . 1 1 43 43 U C1' C 13 91.944 0.005 . 1 . . . A 42 U C1' . 19698 2 373 . 1 1 43 43 U C2' C 13 75.741 0.005 . 1 . . . A 42 U C2' . 19698 2 374 . 1 1 43 43 U C3' C 13 74.314 0.005 . 1 . . . A 42 U C3' . 19698 2 375 . 1 1 43 43 U C4' C 13 83.609 0.005 . 1 . . . A 42 U C4' . 19698 2 376 . 1 1 43 43 U C5' C 13 65.637 0.005 . 1 . . . A 42 U C5' . 19698 2 377 . 1 1 44 44 A H1' H 1 5.816 0.005 . 1 . . . A 43 A H1' . 19698 2 378 . 1 1 44 44 A H2' H 1 4.488 0.005 . 1 . . . A 43 A H2' . 19698 2 379 . 1 1 44 44 A H3' H 1 4.829 0.005 . 1 . . . A 43 A H3' . 19698 2 380 . 1 1 44 44 A H4' H 1 4.44 0.005 . 1 . . . A 43 A H4' . 19698 2 381 . 1 1 44 44 A H5' H 1 4.249 0.005 . 1 . . . A 43 A H5' . 19698 2 382 . 1 1 44 44 A H5'' H 1 4.108 0.005 . 1 . . . A 43 A H5'' . 19698 2 383 . 1 1 44 44 A C1' C 13 91.161 0.005 . 1 . . . A 43 A C1' . 19698 2 384 . 1 1 44 44 A C2' C 13 76.081 0.005 . 1 . . . A 43 A C2' . 19698 2 385 . 1 1 44 44 A C3' C 13 74.525 0.005 . 1 . . . A 43 A C3' . 19698 2 386 . 1 1 44 44 A C4' C 13 83.303 0.005 . 1 . . . A 43 A C4' . 19698 2 387 . 1 1 44 44 A C5' C 13 66.117 0.005 . 1 . . . A 43 A C5' . 19698 2 388 . 1 1 45 45 A H1' H 1 5.906 0.005 . 1 . . . A 44 A H1' . 19698 2 389 . 1 1 45 45 A H2' H 1 4.789 0.005 . 1 . . . A 44 A H2' . 19698 2 390 . 1 1 45 45 A H3' H 1 4.739 0.005 . 1 . . . A 44 A H3' . 19698 2 391 . 1 1 45 45 A H4' H 1 4.548 0.005 . 1 . . . A 44 A H4' . 19698 2 392 . 1 1 45 45 A C1' C 13 91.178 0.005 . 1 . . . A 44 A C1' . 19698 2 393 . 1 1 45 45 A C2' C 13 76.243 0.005 . 1 . . . A 44 A C2' . 19698 2 394 . 1 1 45 45 A C3' C 13 74.622 0.005 . 1 . . . A 44 A C3' . 19698 2 395 . 1 1 45 45 A C4' C 13 83.744 0.005 . 1 . . . A 44 A C4' . 19698 2 396 . 1 1 47 47 C H1' H 1 5.451 0.005 . 1 . . . A 46 C H1' . 19698 2 397 . 1 1 47 47 C H2' H 1 4.619 0.005 . 1 . . . A 46 C H2' . 19698 2 398 . 1 1 47 47 C H3' H 1 4.429 0.005 . 1 . . . A 46 C H3' . 19698 2 399 . 1 1 47 47 C H4' H 1 4.429 0.005 . 1 . . . A 46 C H4' . 19698 2 400 . 1 1 47 47 C H5' H 1 4.419 0.005 . 1 . . . A 46 C H5' . 19698 2 401 . 1 1 47 47 C H5'' H 1 4.127 0.005 . 1 . . . A 46 C H5'' . 19698 2 402 . 1 1 47 47 C C1' C 13 94.369 0.005 . 1 . . . A 46 C C1' . 19698 2 403 . 1 1 47 47 C C2' C 13 76.079 0.005 . 1 . . . A 46 C C2' . 19698 2 404 . 1 1 47 47 C C3' C 13 74.048 0.005 . 1 . . . A 46 C C3' . 19698 2 405 . 1 1 47 47 C C4' C 13 82.567 0.005 . 1 . . . A 46 C C4' . 19698 2 406 . 1 1 47 47 C C5' C 13 67.105 0.005 . 1 . . . A 46 C C5' . 19698 2 407 . 1 1 48 48 G H1' H 1 5.742 0.005 . 1 . . . A 47 G H1' . 19698 2 408 . 1 1 48 48 G H2' H 1 4.582 0.005 . 1 . . . A 47 G H2' . 19698 2 409 . 1 1 48 48 G H3' H 1 4.56 0.005 . 1 . . . A 47 G H3' . 19698 2 410 . 1 1 48 48 G H4' H 1 4.472 0.005 . 1 . . . A 47 G H4' . 19698 2 411 . 1 1 48 48 G C1' C 13 92.399 0.005 . 1 . . . A 47 G C1' . 19698 2 412 . 1 1 48 48 G C2' C 13 75.483 0.005 . 1 . . . A 47 G C2' . 19698 2 413 . 1 1 48 48 G C3' C 13 72.772 0.005 . 1 . . . A 47 G C3' . 19698 2 414 . 1 1 48 48 G C4' C 13 81.82 0.005 . 1 . . . A 47 G C4' . 19698 2 415 . 1 1 49 49 C H1' H 1 5.491 0.005 . 1 . . . A 48 C H1' . 19698 2 416 . 1 1 49 49 C H2' H 1 4.431 0.005 . 1 . . . A 48 C H2' . 19698 2 417 . 1 1 49 49 C H3' H 1 4.382 0.005 . 1 . . . A 48 C H3' . 19698 2 418 . 1 1 49 49 C H4' H 1 4.381 0.005 . 1 . . . A 48 C H4' . 19698 2 419 . 1 1 49 49 C H5' H 1 4.098 0.005 . 1 . . . A 48 C H5' . 19698 2 420 . 1 1 49 49 C H5'' H 1 4.065 0.005 . 1 . . . A 48 C H5'' . 19698 2 421 . 1 1 49 49 C C1' C 13 94.369 0.005 . 1 . . . A 48 C C1' . 19698 2 422 . 1 1 49 49 C C2' C 13 72.974 0.005 . 1 . . . A 48 C C2' . 19698 2 423 . 1 1 49 49 C C3' C 13 76.123 0.005 . 1 . . . A 48 C C3' . 19698 2 424 . 1 1 49 49 C C4' C 13 82.45 0.005 . 1 . . . A 48 C C4' . 19698 2 425 . 1 1 49 49 C C5' C 13 65.653 0.005 . 1 . . . A 48 C C5' . 19698 2 426 . 1 1 50 50 C H1' H 1 5.734 0.005 . 1 . . . A 49 C H1' . 19698 2 427 . 1 1 50 50 C H2' H 1 4.174 0.005 . 1 . . . A 49 C H2' . 19698 2 428 . 1 1 50 50 C H3' H 1 4.689 0.005 . 1 . . . A 49 C H3' . 19698 2 429 . 1 1 50 50 C H4' H 1 4.364 0.005 . 1 . . . A 49 C H4' . 19698 2 430 . 1 1 50 50 C C1' C 13 94.664 0.005 . 1 . . . A 49 C C1' . 19698 2 431 . 1 1 50 50 C C2' C 13 76.908 0.005 . 1 . . . A 49 C C2' . 19698 2 432 . 1 1 50 50 C C3' C 13 73.668 0.005 . 1 . . . A 49 C C3' . 19698 2 433 . 1 1 50 50 C C4' C 13 83.135 0.005 . 1 . . . A 49 C C4' . 19698 2 434 . 1 1 51 51 A H1' H 1 6.675 0.005 . 1 . . . A 50 A H1' . 19698 2 435 . 1 1 51 51 A H2' H 1 4.912 0.005 . 1 . . . A 50 A H2' . 19698 2 436 . 1 1 51 51 A H3' H 1 4.889 0.005 . 1 . . . A 50 A H3' . 19698 2 437 . 1 1 51 51 A H4' H 1 5.205 0.005 . 1 . . . A 50 A H4' . 19698 2 438 . 1 1 51 51 A H5' H 1 4.278 0.005 . 1 . . . A 50 A H5' . 19698 2 439 . 1 1 51 51 A H5'' H 1 4.405 0.005 . 1 . . . A 50 A H5'' . 19698 2 440 . 1 1 51 51 A C1' C 13 87.081 0.005 . 1 . . . A 50 A C1' . 19698 2 441 . 1 1 51 51 A C2' C 13 80.069 0.005 . 1 . . . A 50 A C2' . 19698 2 442 . 1 1 51 51 A C3' C 13 76.374 0.005 . 1 . . . A 50 A C3' . 19698 2 443 . 1 1 51 51 A C4' C 13 84.237 0.005 . 1 . . . A 50 A C4' . 19698 2 444 . 1 1 51 51 A C5' C 13 68.159 0.005 . 1 . . . A 50 A C5' . 19698 2 445 . 1 1 52 52 A H1' H 1 7.03 0.005 . 1 . . . A 51 A H1' . 19698 2 446 . 1 1 52 52 A H2' H 1 5.288 0.005 . 1 . . . A 51 A H2' . 19698 2 447 . 1 1 52 52 A H3' H 1 5.08 0.005 . 1 . . . A 51 A H3' . 19698 2 448 . 1 1 52 52 A H4' H 1 4.853 0.005 . 1 . . . A 51 A H4' . 19698 2 449 . 1 1 52 52 A H5' H 1 4.63 0.005 . 1 . . . A 51 A H5' . 19698 2 450 . 1 1 52 52 A H5'' H 1 4.507 0.005 . 1 . . . A 51 A H5'' . 19698 2 451 . 1 1 52 52 A C1' C 13 94.329 0.005 . 1 . . . A 51 A C1' . 19698 2 452 . 1 1 52 52 A C2' C 13 75.552 0.005 . 1 . . . A 51 A C2' . 19698 2 453 . 1 1 52 52 A C3' C 13 74.728 0.005 . 1 . . . A 51 A C3' . 19698 2 454 . 1 1 52 52 A C4' C 13 85.199 0.005 . 1 . . . A 51 A C4' . 19698 2 455 . 1 1 52 52 A C5' C 13 72.008 0.005 . 1 . . . A 51 A C5' . 19698 2 456 . 1 1 53 53 A H1' H 1 6.275 0.005 . 1 . . . A 52 A H1' . 19698 2 457 . 1 1 53 53 A H2' H 1 4.701 0.005 . 1 . . . A 52 A H2' . 19698 2 458 . 1 1 53 53 A H3' H 1 4.734 0.005 . 1 . . . A 52 A H3' . 19698 2 459 . 1 1 53 53 A H4' H 1 4.853 0.005 . 1 . . . A 52 A H4' . 19698 2 460 . 1 1 53 53 A H5' H 1 4.289 0.005 . 1 . . . A 52 A H5' . 19698 2 461 . 1 1 53 53 A C1' C 13 93.228 0.005 . 1 . . . A 52 A C1' . 19698 2 462 . 1 1 53 53 A C2' C 13 76.163 0.005 . 1 . . . A 52 A C2' . 19698 2 463 . 1 1 53 53 A C3' C 13 72.871 0.005 . 1 . . . A 52 A C3' . 19698 2 464 . 1 1 53 53 A C4' C 13 81.853 0.005 . 1 . . . A 52 A C4' . 19698 2 465 . 1 1 53 53 A C5' C 13 64.289 0.005 . 1 . . . A 52 A C5' . 19698 2 466 . 1 1 54 54 G H1' H 1 5.901 0.005 . 1 . . . A 53 G H1' . 19698 2 467 . 1 1 54 54 G H2' H 1 4.55 0.005 . 1 . . . A 53 G H2' . 19698 2 468 . 1 1 54 54 G H3' H 1 4.497 0.005 . 1 . . . A 53 G H3' . 19698 2 469 . 1 1 54 54 G H4' H 1 4.572 0.005 . 1 . . . A 53 G H4' . 19698 2 470 . 1 1 54 54 G C1' C 13 92.276 0.005 . 1 . . . A 53 G C1' . 19698 2 471 . 1 1 54 54 G C2' C 13 76.052 0.005 . 1 . . . A 53 G C2' . 19698 2 472 . 1 1 54 54 G C3' C 13 73.405 0.005 . 1 . . . A 53 G C3' . 19698 2 473 . 1 1 54 54 G C4' C 13 81.804 0.005 . 1 . . . A 53 G C4' . 19698 2 474 . 1 1 55 55 G H1' H 1 5.778 0.005 . 1 . . . A 54 G H1' . 19698 2 475 . 1 1 55 55 G H2' H 1 4.78 0.005 . 1 . . . A 54 G H2' . 19698 2 476 . 1 1 55 55 G H3' H 1 4.452 0.005 . 1 . . . A 54 G H3' . 19698 2 477 . 1 1 55 55 G H4' H 1 4.533 0.005 . 1 . . . A 54 G H4' . 19698 2 478 . 1 1 55 55 G C1' C 13 93.381 0.005 . 1 . . . A 54 G C1' . 19698 2 479 . 1 1 55 55 G C2' C 13 75.299 0.005 . 1 . . . A 54 G C2' . 19698 2 480 . 1 1 55 55 G C3' C 13 73.332 0.005 . 1 . . . A 54 G C3' . 19698 2 481 . 1 1 55 55 G C4' C 13 82.265 0.005 . 1 . . . A 54 G C4' . 19698 2 482 . 1 1 56 56 A H1' H 1 5.944 0.005 . 1 . . . A 55 A H1' . 19698 2 483 . 1 1 56 56 A H2' H 1 4.613 0.005 . 1 . . . A 55 A H2' . 19698 2 484 . 1 1 56 56 A H3' H 1 4.692 0.005 . 1 . . . A 55 A H3' . 19698 2 485 . 1 1 56 56 A H4' H 1 4.516 0.005 . 1 . . . A 55 A H4' . 19698 2 486 . 1 1 56 56 A H5' H 1 4.161 0.005 . 1 . . . A 55 A H5' . 19698 2 487 . 1 1 56 56 A H5'' H 1 4.578 0.005 . 1 . . . A 55 A H5'' . 19698 2 488 . 1 1 56 56 A C1' C 13 92.665 0.005 . 1 . . . A 55 A C1' . 19698 2 489 . 1 1 56 56 A C2' C 13 75.764 0.005 . 1 . . . A 55 A C2' . 19698 2 490 . 1 1 56 56 A C3' C 13 72.41 0.005 . 1 . . . A 55 A C3' . 19698 2 491 . 1 1 56 56 A C4' C 13 82.008 0.005 . 1 . . . A 55 A C4' . 19698 2 492 . 1 1 56 56 A C5' C 13 64.38 0.005 . 1 . . . A 55 A C5' . 19698 2 493 . 1 1 57 57 G H1' H 1 5.437 0.005 . 1 . . . A 56 G H1' . 19698 2 494 . 1 1 57 57 G H2' H 1 4.365 0.005 . 1 . . . A 56 G H2' . 19698 2 495 . 1 1 57 57 G H5'' H 1 4.063 0.005 . 1 . . . A 56 G H5'' . 19698 2 496 . 1 1 57 57 G C1' C 13 90.906 0.005 . 1 . . . A 56 G C1' . 19698 2 497 . 1 1 57 57 G C2' C 13 81.874 0.005 . 1 . . . A 56 G C2' . 19698 2 498 . 1 1 57 57 G C5' C 13 66.751 0.005 . 1 . . . A 56 G C5' . 19698 2 499 . 1 1 58 58 A H1' H 1 5.898 0.005 . 1 . . . A 57 A H1' . 19698 2 500 . 1 1 58 58 A H2' H 1 4.396 0.005 . 1 . . . A 57 A H2' . 19698 2 501 . 1 1 58 58 A H3' H 1 4.583 0.005 . 1 . . . A 57 A H3' . 19698 2 502 . 1 1 58 58 A H4' H 1 4.437 0.005 . 1 . . . A 57 A H4' . 19698 2 503 . 1 1 58 58 A H5' H 1 4.132 0.005 . 1 . . . A 57 A H5' . 19698 2 504 . 1 1 58 58 A H5'' H 1 4.484 0.005 . 1 . . . A 57 A H5'' . 19698 2 505 . 1 1 58 58 A C1' C 13 92.24 0.005 . 1 . . . A 57 A C1' . 19698 2 506 . 1 1 58 58 A C2' C 13 76.35 0.005 . 1 . . . A 57 A C2' . 19698 2 507 . 1 1 58 58 A C3' C 13 73.44 0.005 . 1 . . . A 57 A C3' . 19698 2 508 . 1 1 58 58 A C4' C 13 82.899 0.005 . 1 . . . A 57 A C4' . 19698 2 509 . 1 1 58 58 A C5' C 13 65.155 0.005 . 1 . . . A 57 A C5' . 19698 2 510 . 1 1 59 59 A H1' H 1 5.854 0.005 . 1 . . . A 58 A H1' . 19698 2 511 . 1 1 59 59 A H2' H 1 4.212 0.005 . 1 . . . A 58 A H2' . 19698 2 512 . 1 1 59 59 A H3' H 1 4.327 0.005 . 1 . . . A 58 A H3' . 19698 2 513 . 1 1 59 59 A H4' H 1 4.272 0.005 . 1 . . . A 58 A H4' . 19698 2 514 . 1 1 59 59 A H5' H 1 4.088 0.005 . 1 . . . A 58 A H5' . 19698 2 515 . 1 1 59 59 A H5'' H 1 4.326 0.005 . 1 . . . A 58 A H5'' . 19698 2 516 . 1 1 59 59 A C1' C 13 90.589 0.005 . 1 . . . A 58 A C1' . 19698 2 517 . 1 1 59 59 A C2' C 13 77.726 0.005 . 1 . . . A 58 A C2' . 19698 2 518 . 1 1 59 59 A C3' C 13 71.54 0.005 . 1 . . . A 58 A C3' . 19698 2 519 . 1 1 59 59 A C4' C 13 85.175 0.005 . 1 . . . A 58 A C4' . 19698 2 520 . 1 1 59 59 A C5' C 13 66.36 0.005 . 1 . . . A 58 A C5' . 19698 2 stop_ save_