data_17671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17671 _Entry.Title ; Solution NMR Structure of the HIV-1 Exon Splicing Silencer 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-27 _Entry.Accession_date 2011-05-27 _Entry.Last_release_date 2012-03-07 _Entry.Original_release_date 2012-03-07 _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 Clay Mishler . . . 17671 2 Jeffrey Levengood . D. . 17671 3 Charles Johnson . A. . 17671 4 Prashant Rajan . . . 17671 5 Brent Znosko . M. . 17671 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' . 17671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'exon splicing silencer' . 17671 HIV . 17671 RNA . 17671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 143 17671 '15N chemical shifts' 16 17671 '1H chemical shifts' 185 17671 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-03-07 2011-05-27 original author . 17671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LDL 'BMRB Entry Tracking System' 17671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22154809 _Citation.Full_citation . _Citation.Title 'Solution Structure of the HIV-1 Exon Splicing Silencer 3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 415 _Citation.Journal_issue 4 _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 680 _Citation.Page_last 698 _Citation.Year 2012 _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 Jeffrey Levengood . D. . 17671 1 2 Carrie Rollins . . . 17671 1 3 Clay Mishler . H.J. . 17671 1 4 Charles Johnson . A. . 17671 1 5 Grace Miner . . . 17671 1 6 Prashant Rajan . . . 17671 1 7 Brent Znosko . M. . 17671 1 8 Blanton Tolbert . S. . 17671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17671 _Assembly.ID 1 _Assembly.Name 'RNA (27-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 (27-MER)' 1 $RNA_(27-MER) A . yes native no no . . . 17671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(27-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(27-MER) _Entity.Entry_ID 17671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(27-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 ; XGAUCCAUUCGAUUAGUGAA CGGAUCC ; _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 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8650.235 _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 5GP . 17671 1 2 2 G . 17671 1 3 3 A . 17671 1 4 4 U . 17671 1 5 5 C . 17671 1 6 6 C . 17671 1 7 7 A . 17671 1 8 8 U . 17671 1 9 9 U . 17671 1 10 10 C . 17671 1 11 11 G . 17671 1 12 12 A . 17671 1 13 13 U . 17671 1 14 14 U . 17671 1 15 15 A . 17671 1 16 16 G . 17671 1 17 17 U . 17671 1 18 18 G . 17671 1 19 19 A . 17671 1 20 20 A . 17671 1 21 21 C . 17671 1 22 22 G . 17671 1 23 23 G . 17671 1 24 24 A . 17671 1 25 25 U . 17671 1 26 26 C . 17671 1 27 27 C . 17671 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 . 5GP 1 1 17671 1 . G 2 2 17671 1 . A 3 3 17671 1 . U 4 4 17671 1 . C 5 5 17671 1 . C 6 6 17671 1 . A 7 7 17671 1 . U 8 8 17671 1 . U 9 9 17671 1 . C 10 10 17671 1 . G 11 11 17671 1 . A 12 12 17671 1 . U 13 13 17671 1 . U 14 14 17671 1 . A 15 15 17671 1 . G 16 16 17671 1 . U 17 17 17671 1 . G 18 18 17671 1 . A 19 19 17671 1 . A 20 20 17671 1 . C 21 21 17671 1 . G 22 22 17671 1 . G 23 23 17671 1 . A 24 24 17671 1 . U 25 25 17671 1 . C 26 26 17671 1 . C 27 27 17671 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17671 _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_(27-MER) . 11676 virus . HIV-1 HIV-1 . . Viruses . Lentivirus . HIV-1 . . . . . . . . . . . . . . . . . . . . 17671 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 17671 _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_(27-MER) . 'cell free synthesis' 'in vitro transcription' . . . . . . . . . . . . . . . . . . 'in vitro transcription' . . 'in vitro transcription' . . . . . . 17671 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_5GP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_5GP _Chem_comp.Entry_ID 17671 _Chem_comp.ID 5GP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-MONOPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code 5GP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces CPG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 5GP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 'C10 H14 N5 O8 P' _Chem_comp.Formula_weight 363.221 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:51:35 2011 ; _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 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 17671 5GP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17671 5GP InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 17671 5GP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17671 5GP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17671 5GP O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O SMILES ACDLabs 10.04 17671 5GP RQFCJASXJCIDSX-UUOKFMHZSA-N InChIKey InChI 1.03 17671 5GP 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 '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17671 5GP '5'-guanylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17671 5GP 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 P . P . . P . . N 0 . . . . no no . . . . 28.350 . 67.689 . 25.476 . 5.076 -0.808 -0.277 1 . 17671 5GP O1P . O1P . . O . . N 0 . . . . no no . . . . 28.751 . 66.438 . 24.826 . 5.916 0.337 0.139 2 . 17671 5GP O2P . O2P . . O . . N 0 . . . . no yes . . . . 27.100 . 67.524 . 26.318 . 4.843 -1.787 0.980 3 . 17671 5GP O3P . O3P . . O . . N 0 . . . . no no . . . . 29.531 . 68.265 . 26.332 . 5.815 -1.615 -1.457 4 . 17671 5GP O5' . O5' . . O . . N 0 . . . . no no . . . . 28.028 . 68.889 . 24.409 . 3.655 -0.266 -0.806 5 . 17671 5GP C5' . C5' . . C . . N 0 . . . . no no . . . . 27.778 . 70.273 . 24.855 . 3.104 0.537 0.240 6 . 17671 5GP C4' . C4' . . C . . R 0 . . . . no no . . . . 27.488 . 71.273 . 23.710 . 1.745 1.086 -0.200 7 . 17671 5GP O4' . O4' . . O . . N 0 . . . . no no . . . . 26.324 . 72.100 . 24.160 . 0.792 0.011 -0.345 8 . 17671 5GP C3' . C3' . . C . . S 0 . . . . no no . . . . 28.530 . 72.326 . 23.342 . 1.149 1.997 0.896 9 . 17671 5GP O3' . O3' . . O . . N 0 . . . . no no . . . . 29.505 . 71.871 . 22.416 . 1.399 3.371 0.596 10 . 17671 5GP C2' . C2' . . C . . R 0 . . . . no no . . . . 27.718 . 73.488 . 22.759 . -0.368 1.698 0.850 11 . 17671 5GP O2' . O2' . . O . . N 0 . . . . no no . . . . 27.482 . 73.333 . 21.343 . -1.101 2.880 0.522 12 . 17671 5GP C1' . C1' . . C . . R 0 . . . . no no . . . . 26.437 . 73.441 . 23.576 . -0.506 0.640 -0.267 13 . 17671 5GP N9 . N9 . . N . . N 0 . . . . yes no . . . . 26.175 . 74.503 . 24.598 . -1.530 -0.346 0.088 14 . 17671 5GP C8 . C8 . . C . . N 0 . . . . yes no . . . . 25.184 . 75.459 . 24.638 . -1.319 -1.538 0.717 15 . 17671 5GP N7 . N7 . . N . . N 0 . . . . yes no . . . . 25.150 . 76.194 . 25.730 . -2.451 -2.160 0.875 16 . 17671 5GP C5 . C5 . . C . . N 0 . . . . yes no . . . . 26.225 . 75.666 . 26.473 . -3.452 -1.407 0.358 17 . 17671 5GP C6 . C6 . . C . . N 0 . . . . no no . . . . 26.695 . 76.059 . 27.770 . -4.853 -1.572 0.249 18 . 17671 5GP O6 . O6 . . O . . N 0 . . . . no no . . . . 26.257 . 76.940 . 28.501 . -5.399 -2.574 0.677 19 . 17671 5GP N1 . N1 . . N . . N 0 . . . . no no . . . . 27.817 . 75.273 . 28.180 . -5.571 -0.589 -0.338 20 . 17671 5GP C2 . C2 . . C . . N 0 . . . . no no . . . . 28.377 . 74.254 . 27.412 . -4.949 0.524 -0.819 21 . 17671 5GP N2 . N2 . . N . . N 0 . . . . no no . . . . 29.431 . 73.644 . 27.993 . -5.703 1.503 -1.415 22 . 17671 5GP N3 . N3 . . N . . N 0 . . . . no no . . . . 27.937 . 73.882 . 26.195 . -3.648 0.689 -0.723 23 . 17671 5GP C4 . C4 . . C . . N 0 . . . . yes no . . . . 26.857 . 74.634 . 25.789 . -2.874 -0.239 -0.150 24 . 17671 5GP HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 27.339 . 67.489 . 27.237 . 4.292 -2.517 0.666 25 . 17671 5GP HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 30.295 . 68.381 . 25.780 . 6.660 -1.922 -1.100 26 . 17671 5GP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 26.902 . 70.260 . 25.521 . 3.778 1.366 0.455 27 . 17671 5GP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 28.699 . 70.617 . 25.349 . 2.977 -0.071 1.136 28 . 17671 5GP H4' . H4' . . H . . N 0 . . . . no no . . . . 27.386 . 70.618 . 22.832 . 1.844 1.634 -1.137 29 . 17671 5GP H3' . H3' . . H . . N 0 . . . . no no . . . . 29.118 . 72.608 . 24.228 . 1.561 1.739 1.872 30 . 17671 5GP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 29.106 . 71.769 . 21.560 . 1.007 3.890 1.311 31 . 17671 5GP H2' . H2' . . H . . N 0 . . . . no no . . . . 28.233 . 74.457 . 22.827 . -0.706 1.292 1.803 32 . 17671 5GP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 26.547 . 73.299 . 21.179 . -0.926 3.522 1.224 33 . 17671 5GP H1' . H1' . . H . . N 0 . . . . no no . . . . 25.646 . 73.674 . 22.848 . -0.754 1.118 -1.215 34 . 17671 5GP H8 . H8 . . H . . N 0 . . . . no no . . . . 24.482 . 75.596 . 23.828 . -0.356 -1.910 1.037 35 . 17671 5GP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 28.225 . 75.466 . 29.072 . -6.533 -0.680 -0.425 36 . 17671 5GP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 29.767 . 72.932 . 27.376 . -5.275 2.303 -1.759 37 . 17671 5GP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 29.812 . 73.867 . 28.890 . -6.663 1.394 -1.497 38 . 17671 5GP 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 . DOUB P O1P no N 1 . 17671 5GP 2 . SING P O2P no N 2 . 17671 5GP 3 . SING P O3P no N 3 . 17671 5GP 4 . SING P O5' no N 4 . 17671 5GP 5 . SING O2P HOP2 no N 5 . 17671 5GP 6 . SING O3P HOP3 no N 6 . 17671 5GP 7 . SING O5' C5' no N 7 . 17671 5GP 8 . SING C5' C4' no N 8 . 17671 5GP 9 . SING C5' H5'1 no N 9 . 17671 5GP 10 . SING C5' H5'2 no N 10 . 17671 5GP 11 . SING C4' O4' no N 11 . 17671 5GP 12 . SING C4' C3' no N 12 . 17671 5GP 13 . SING C4' H4' no N 13 . 17671 5GP 14 . SING O4' C1' no N 14 . 17671 5GP 15 . SING C3' O3' no N 15 . 17671 5GP 16 . SING C3' C2' no N 16 . 17671 5GP 17 . SING C3' H3' no N 17 . 17671 5GP 18 . SING O3' HO3' no N 18 . 17671 5GP 19 . SING C2' O2' no N 19 . 17671 5GP 20 . SING C2' C1' no N 20 . 17671 5GP 21 . SING C2' H2' no N 21 . 17671 5GP 22 . SING O2' HO2' no N 22 . 17671 5GP 23 . SING C1' N9 no N 23 . 17671 5GP 24 . SING C1' H1' no N 24 . 17671 5GP 25 . SING N9 C8 yes N 25 . 17671 5GP 26 . SING N9 C4 yes N 26 . 17671 5GP 27 . DOUB C8 N7 yes N 27 . 17671 5GP 28 . SING C8 H8 no N 28 . 17671 5GP 29 . SING N7 C5 yes N 29 . 17671 5GP 30 . SING C5 C6 no N 30 . 17671 5GP 31 . DOUB C5 C4 yes N 31 . 17671 5GP 32 . DOUB C6 O6 no N 32 . 17671 5GP 33 . SING C6 N1 no N 33 . 17671 5GP 34 . SING N1 C2 no N 34 . 17671 5GP 35 . SING N1 HN1 no N 35 . 17671 5GP 36 . SING C2 N2 no N 36 . 17671 5GP 37 . DOUB C2 N3 no N 37 . 17671 5GP 38 . SING N2 HN21 no N 38 . 17671 5GP 39 . SING N2 HN22 no N 39 . 17671 5GP 40 . SING N3 C4 no N 40 . 17671 5GP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_hiv_exon_splicing_silencer_3 _Sample.Sf_category sample _Sample.Sf_framecode hiv_exon_splicing_silencer_3 _Sample.Entry_ID 17671 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 (27-MER)' 'natural abundance' . . 1 $RNA_(27-MER) . . . 1 2 mM . . . . 17671 1 2 'RNA (27-MER)' '[U-100% 15N]' . . 1 $RNA_(27-MER) . . . 0.5 1 mM . . . . 17671 1 3 'RNA (27-MER)' '[U-100% 13C]' . . 1 $RNA_(27-MER) . . . 0.5 1 mM . . . . 17671 1 4 'RNA (27-MER)' [U-2H] . . 1 $RNA_(27-MER) . . . 0.5 1 mM . . . . 17671 1 5 'potassium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 17671 1 6 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17671 1 7 cacodylate 'natural abundance' . . . . . . 10 . . mM . . . . 17671 1 8 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17671 1 9 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17671 1 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 17671 _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' 150 . mM 17671 1 pH 5.5 . pH 17671 1 pressure 1 . atm 17671 1 temperature 303 . K 17671 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17671 _Software.ID 1 _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' . . 17671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17671 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17671 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17671 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17671 2 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 17671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17671 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17671 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17671 _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 Avance . 850 . . . 17671 1 2 spectrometer_2 Bruker Avance . 600 . . . 17671 1 3 spectrometer_3 Bruker DMX . 500 . . . 17671 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 17671 _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-15N HSQC' no . . . . . . . . . . 1 $hiv_exon_splicing_silencer_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17671 1 2 '2D HNN-COSY' no . . . . . . . . . . 1 $hiv_exon_splicing_silencer_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17671 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $hiv_exon_splicing_silencer_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17671 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $hiv_exon_splicing_silencer_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17671 1 5 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $hiv_exon_splicing_silencer_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17671 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 17671 _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 . indirect 0.251449530 . . . . . . . . . 17671 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17671 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17671 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 17671 _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-15N HSQC' . . . 17671 1 2 '2D HNN-COSY' . . . 17671 1 3 '2D 1H-1H NOESY' . . . 17671 1 4 '2D 1H-1H TOCSY' . . . 17671 1 5 '2D 1H-13C HMQC' . . . 17671 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 2 2 G H1 H 1 12.53 0.02 . 1 . . . A 2 G H1 . 17671 1 2 . 1 1 2 2 G H1' H 1 5.89 0.02 . . . . . A 2 G H1' . 17671 1 3 . 1 1 2 2 G H2' H 1 4.68 0.02 . . . . . A 2 G H2' . 17671 1 4 . 1 1 2 2 G H3' H 1 4.54 0.02 . . . . . A 2 G H3' . 17671 1 5 . 1 1 2 2 G H4' H 1 4.57 0.02 . . . . . A 2 G H4' . 17671 1 6 . 1 1 2 2 G H5' H 1 4.23 0.02 . . . . . A 2 G H5' . 17671 1 7 . 1 1 2 2 G H8 H 1 7.63 0.02 . 1 . . . A 2 G H8 . 17671 1 8 . 1 1 2 2 G C1' C 13 93.02 0.02 . . . . . A 2 G C1' . 17671 1 9 . 1 1 2 2 G C2' C 13 75.56 0.02 . . . . . A 2 G C2' . 17671 1 10 . 1 1 2 2 G C4' C 13 82.61 0.02 . . . . . A 2 G C4' . 17671 1 11 . 1 1 2 2 G C8 C 13 137.2 0.02 . 1 . . . A 2 G C8 . 17671 1 12 . 1 1 2 2 G N1 N 15 147.82 0.02 . 1 . . . A 2 G N1 . 17671 1 13 . 1 1 3 3 A H1' H 1 6.01 0.02 . . . . . A 3 A H1' . 17671 1 14 . 1 1 3 3 A H2 H 1 7.82 0.02 . 1 . . . A 3 A H2 . 17671 1 15 . 1 1 3 3 A H2' H 1 4.55 0.02 . . . . . A 3 A H2' . 17671 1 16 . 1 1 3 3 A H3' H 1 4.63 0.02 . . . . . A 3 A H3' . 17671 1 17 . 1 1 3 3 A H4' H 1 4.51 0.02 . . . . . A 3 A H4' . 17671 1 18 . 1 1 3 3 A H5' H 1 4.17 0.02 . . . . . A 3 A H5' . 17671 1 19 . 1 1 3 3 A H8 H 1 7.88 0.02 . 1 . . . A 3 A H8 . 17671 1 20 . 1 1 3 3 A C1' C 13 93.33 0.02 . . . . . A 3 A C1' . 17671 1 21 . 1 1 3 3 A C2 C 13 154.17 0.02 . 1 . . . A 3 A C2 . 17671 1 22 . 1 1 3 3 A C2' C 13 72.84 0.02 . . . . . A 3 A C2' . 17671 1 23 . 1 1 3 3 A C3' C 13 75.85 0.02 . . . . . A 3 A C3' . 17671 1 24 . 1 1 3 3 A C4' C 13 82.35 0.02 . . . . . A 3 A C4' . 17671 1 25 . 1 1 3 3 A C8 C 13 139.74 0.02 . 1 . . . A 3 A C8 . 17671 1 26 . 1 1 3 3 A N1 N 15 222.72 0.02 . 1 . . . A 3 A N1 . 17671 1 27 . 1 1 4 4 U H1' H 1 5.52 0.02 . . . . . A 4 U H1' . 17671 1 28 . 1 1 4 4 U H2' H 1 4.39 0.02 . . . . . A 4 U H2' . 17671 1 29 . 1 1 4 4 U H3 H 1 14.2 0.02 . 1 . . . A 4 U H3 . 17671 1 30 . 1 1 4 4 U H3' H 1 4.43 0.02 . . . . . A 4 U H3' . 17671 1 31 . 1 1 4 4 U H4' H 1 4.42 0.02 . . . . . A 4 U H4' . 17671 1 32 . 1 1 4 4 U H5 H 1 5.05 0.02 . 1 . . . A 4 U H5 . 17671 1 33 . 1 1 4 4 U H5' H 1 4.09 0.02 . . . . . A 4 U H5' . 17671 1 34 . 1 1 4 4 U H6 H 1 7.67 0.02 . 1 . . . A 4 U H6 . 17671 1 35 . 1 1 4 4 U C1' C 13 93.58 0.02 . . . . . A 4 U C1' . 17671 1 36 . 1 1 4 4 U C2' C 13 75.62 0.02 . . . . . A 4 U C2' . 17671 1 37 . 1 1 4 4 U C3' C 13 72.49 0.02 . . . . . A 4 U C3' . 17671 1 38 . 1 1 4 4 U C4' C 13 82.2 0.02 . . . . . A 4 U C4' . 17671 1 39 . 1 1 4 4 U C5 C 13 102.88 0.02 . 1 . . . A 4 U C5 . 17671 1 40 . 1 1 4 4 U C6 C 13 141.62 0.02 . 1 . . . A 4 U C6 . 17671 1 41 . 1 1 4 4 U N3 N 15 163.49 0.02 . 1 . . . A 4 U N3 . 17671 1 42 . 1 1 5 5 C H1' H 1 5.57 0.02 . . . . . A 5 C H1' . 17671 1 43 . 1 1 5 5 C H2' H 1 4.38 0.02 . . . . . A 5 C H2' . 17671 1 44 . 1 1 5 5 C H3' H 1 4.46 0.02 . . . . . A 5 C H3' . 17671 1 45 . 1 1 5 5 C H4' H 1 4.46 0.02 . . . . . A 5 C H4' . 17671 1 46 . 1 1 5 5 C H5 H 1 5.61 0.02 . 1 . . . A 5 C H5 . 17671 1 47 . 1 1 5 5 C H5' H 1 4.55 0.02 . . . . . A 5 C H5' . 17671 1 48 . 1 1 5 5 C H5'' H 1 4.11 0.02 . 2 . . . A 5 C H5'' . 17671 1 49 . 1 1 5 5 C H6 H 1 7.84 0.02 . 1 . . . A 5 C H6 . 17671 1 50 . 1 1 5 5 C C1' C 13 94.26 0.02 . . . . . A 5 C C1' . 17671 1 51 . 1 1 5 5 C C2' C 13 75.68 0.02 . . . . . A 5 C C2' . 17671 1 52 . 1 1 5 5 C C3' C 13 72.67 0.02 . . . . . A 5 C C3' . 17671 1 53 . 1 1 5 5 C C4' C 13 82.1 0.02 . . . . . A 5 C C4' . 17671 1 54 . 1 1 5 5 C C5 C 13 97.8 0.02 . 1 . . . A 5 C C5 . 17671 1 55 . 1 1 5 5 C C6 C 13 141.81 0.02 . 1 . . . A 5 C C6 . 17671 1 56 . 1 1 5 5 C N3 N 15 197.97 0.02 . 1 . . . A 5 C N3 . 17671 1 57 . 1 1 6 6 C H1' H 1 5.47 0.02 . . . . . A 6 C H1' . 17671 1 58 . 1 1 6 6 C H2' H 1 4.45 0.02 . . . . . A 6 C H2' . 17671 1 59 . 1 1 6 6 C H3' H 1 4.55 0.02 . . . . . A 6 C H3' . 17671 1 60 . 1 1 6 6 C H4' H 1 4.42 0.02 . . . . . A 6 C H4' . 17671 1 61 . 1 1 6 6 C H5 H 1 5.57 0.02 . 1 . . . A 6 C H5 . 17671 1 62 . 1 1 6 6 C H5' H 1 4.11 0.02 . . . . . A 6 C H5' . 17671 1 63 . 1 1 6 6 C H6 H 1 7.76 0.02 . 1 . . . A 6 C H6 . 17671 1 64 . 1 1 6 6 C C1' C 13 93.78 0.02 . . . . . A 6 C C1' . 17671 1 65 . 1 1 6 6 C C2' C 13 75.84 0.02 . . . . . A 6 C C2' . 17671 1 66 . 1 1 6 6 C C3' C 13 73.1 0.02 . . . . . A 6 C C3' . 17671 1 67 . 1 1 6 6 C C4' C 13 82.13 0.02 . . . . . A 6 C C4' . 17671 1 68 . 1 1 6 6 C C5 C 13 98.15 0.02 . 1 . . . A 6 C C5 . 17671 1 69 . 1 1 6 6 C C6 C 13 141.57 0.02 . 1 . . . A 6 C C6 . 17671 1 70 . 1 1 6 6 C N3 N 15 196.23 0.02 . 1 . . . A 6 C N3 . 17671 1 71 . 1 1 7 7 A H1' H 1 6.04 0.02 . . . . . A 7 A H1' . 17671 1 72 . 1 1 7 7 A H2 H 1 7.93 0.02 . 1 . . . A 7 A H2 . 17671 1 73 . 1 1 7 7 A H2' H 1 4.6 0.02 . . . . . A 7 A H2' . 17671 1 74 . 1 1 7 7 A H3' H 1 4.47 0.02 . . . . . A 7 A H3' . 17671 1 75 . 1 1 7 7 A H4' H 1 4.56 0.02 . . . . . A 7 A H4' . 17671 1 76 . 1 1 7 7 A H5' H 1 4.18 0.02 . . . . . A 7 A H5' . 17671 1 77 . 1 1 7 7 A H8 H 1 8.26 0.02 . 1 . . . A 7 A H8 . 17671 1 78 . 1 1 7 7 A C1' C 13 93.87 0.02 . . . . . A 7 A C1' . 17671 1 79 . 1 1 7 7 A C2 C 13 147.93 0.02 . 1 . . . A 7 A C2 . 17671 1 80 . 1 1 7 7 A C2' C 13 75.56 0.02 . . . . . A 7 A C2' . 17671 1 81 . 1 1 7 7 A C3' C 13 75.79 0.02 . . . . . A 7 A C3' . 17671 1 82 . 1 1 7 7 A C4' C 13 82.7 0.02 . . . . . A 7 A C4' . 17671 1 83 . 1 1 7 7 A C8 C 13 142.72 0.02 . 1 . . . A 7 A C8 . 17671 1 84 . 1 1 8 8 U H1' H 1 5.41 0.02 . . . . . A 8 U H1' . 17671 1 85 . 1 1 8 8 U H2' H 1 4.27 0.02 . . . . . A 8 U H2' . 17671 1 86 . 1 1 8 8 U H3 H 1 14.42 0.02 . 1 . . . A 8 U H3 . 17671 1 87 . 1 1 8 8 U H3' H 1 4.48 0.02 . . . . . A 8 U H3' . 17671 1 88 . 1 1 8 8 U H4' H 1 4.44 0.02 . . . . . A 8 U H4' . 17671 1 89 . 1 1 8 8 U H5 H 1 5.26 0.02 . 1 . . . A 8 U H5 . 17671 1 90 . 1 1 8 8 U H5' H 1 4.09 0.02 . . . . . A 8 U H5' . 17671 1 91 . 1 1 8 8 U H6 H 1 7.69 0.02 . 1 . . . A 8 U H6 . 17671 1 92 . 1 1 8 8 U C1' C 13 93.61 0.02 . . . . . A 8 U C1' . 17671 1 93 . 1 1 8 8 U C2' C 13 82.27 0.02 . . . . . A 8 U C2' . 17671 1 94 . 1 1 8 8 U C3' C 13 72.45 0.02 . . . . . A 8 U C3' . 17671 1 95 . 1 1 8 8 U C4' C 13 82.27 0.02 . . . . . A 8 U C4' . 17671 1 96 . 1 1 8 8 U C5 C 13 103.2 0.02 . 1 . . . A 8 U C5 . 17671 1 97 . 1 1 8 8 U C6 C 13 141.5 0.02 . 1 . . . A 8 U C6 . 17671 1 98 . 1 1 8 8 U N3 N 15 163.55 0.02 . 1 . . . A 8 U N3 . 17671 1 99 . 1 1 9 9 U H1' H 1 5.61 0.02 . . . . . A 9 U H1' . 17671 1 100 . 1 1 9 9 U H2' H 1 4.38 0.02 . . . . . A 9 U H2' . 17671 1 101 . 1 1 9 9 U H3 H 1 13.71 0.02 . 1 . . . A 9 U H3 . 17671 1 102 . 1 1 9 9 U H3' H 1 4.48 0.02 . . . . . A 9 U H3' . 17671 1 103 . 1 1 9 9 U H4' H 1 4.38 0.02 . . . . . A 9 U H4' . 17671 1 104 . 1 1 9 9 U H5 H 1 5.48 0.02 . 1 . . . A 9 U H5 . 17671 1 105 . 1 1 9 9 U H5' H 1 4.1 0.02 . . . . . A 9 U H5' . 17671 1 106 . 1 1 9 9 U H6 H 1 7.93 0.02 . 1 . . . A 9 U H6 . 17671 1 107 . 1 1 9 9 U C1' C 13 93.88 0.02 . . . . . A 9 U C1' . 17671 1 108 . 1 1 9 9 U C2' C 13 75.54 0.02 . . . . . A 9 U C2' . 17671 1 109 . 1 1 9 9 U C3' C 13 75.65 0.02 . . . . . A 9 U C3' . 17671 1 110 . 1 1 9 9 U C4' C 13 82.27 0.02 . . . . . A 9 U C4' . 17671 1 111 . 1 1 9 9 U C5 C 13 103.37 0.02 . 1 . . . A 9 U C5 . 17671 1 112 . 1 1 9 9 U C6 C 13 142.59 0.02 . 1 . . . A 9 U C6 . 17671 1 113 . 1 1 9 9 U N3 N 15 163.79 0.02 . 1 . . . A 9 U N3 . 17671 1 114 . 1 1 10 10 C H1' H 1 5.48 0.02 . . . . . A 10 C H1' . 17671 1 115 . 1 1 10 10 C H2' H 1 4.36 0.02 . . . . . A 10 C H2' . 17671 1 116 . 1 1 10 10 C H3' H 1 4.46 0.02 . . . . . A 10 C H3' . 17671 1 117 . 1 1 10 10 C H4' H 1 4.52 0.02 . . . . . A 10 C H4' . 17671 1 118 . 1 1 10 10 C H5 H 1 5.54 0.02 . 1 . . . A 10 C H5 . 17671 1 119 . 1 1 10 10 C H5' H 1 4.1 0.02 . . . . . A 10 C H5' . 17671 1 120 . 1 1 10 10 C H6 H 1 7.71 0.02 . . . . . A 10 C H6 . 17671 1 121 . 1 1 10 10 C C1' C 13 94.17 0.02 . . . . . A 10 C C1' . 17671 1 122 . 1 1 10 10 C C2' C 13 75.61 0.02 . . . . . A 10 C C2' . 17671 1 123 . 1 1 10 10 C C3' C 13 72.67 0.02 . . . . . A 10 C C3' . 17671 1 124 . 1 1 10 10 C C4' C 13 82.31 0.02 . . . . . A 10 C C4' . 17671 1 125 . 1 1 10 10 C C5 C 13 97.97 0.02 . 1 . . . A 10 C C5 . 17671 1 126 . 1 1 10 10 C C6 C 13 141.36 0.02 . 1 . . . A 10 C C6 . 17671 1 127 . 1 1 10 10 C N3 N 15 196.03 0.02 . 1 . . . A 10 C N3 . 17671 1 128 . 1 1 11 11 G H1' H 1 5.58 0.02 . . . . . A 11 G H1' . 17671 1 129 . 1 1 11 11 G H2' H 1 4.57 0.02 . . . . . A 11 G H2' . 17671 1 130 . 1 1 11 11 G H3' H 1 4.57 0.02 . . . . . A 11 G H3' . 17671 1 131 . 1 1 11 11 G H4' H 1 4.39 0.02 . . . . . A 11 G H4' . 17671 1 132 . 1 1 11 11 G H5' H 1 4.1 0.02 . . . . . A 11 G H5' . 17671 1 133 . 1 1 11 11 G H8 H 1 7.55 0.02 . 1 . . . A 11 G H8 . 17671 1 134 . 1 1 11 11 G C1' C 13 92.4 0.02 . . . . . A 11 G C1' . 17671 1 135 . 1 1 11 11 G C3' C 13 74.34 0.02 . . . . . A 11 G C3' . 17671 1 136 . 1 1 11 11 G C4' C 13 84.03 0.02 . . . . . A 11 G C4' . 17671 1 137 . 1 1 11 11 G C8 C 13 138.39 0.02 . 1 . . . A 11 G C8 . 17671 1 138 . 1 1 12 12 A H1' H 1 5.89 0.02 . . . . . A 12 A H1' . 17671 1 139 . 1 1 12 12 A H2 H 1 7.99 0.02 . . . . . A 12 A H2 . 17671 1 140 . 1 1 12 12 A H2' H 1 4.56 0.02 . . . . . A 12 A H2' . 17671 1 141 . 1 1 12 12 A H3' H 1 4.72 0.02 . . . . . A 12 A H3' . 17671 1 142 . 1 1 12 12 A H4' H 1 4.45 0.02 . . . . . A 12 A H4' . 17671 1 143 . 1 1 12 12 A H5' H 1 4.34 0.02 . . . . . A 12 A H5' . 17671 1 144 . 1 1 12 12 A H5'' H 1 4.13 0.02 . 2 . . . A 12 A H5'' . 17671 1 145 . 1 1 12 12 A H8 H 1 8.13 0.02 . 1 . . . A 12 A H8 . 17671 1 146 . 1 1 12 12 A C1' C 13 90.97 0.02 . . . . . A 12 A C1' . 17671 1 147 . 1 1 12 12 A C2 C 13 155 0.02 . 1 . . . A 12 A C2 . 17671 1 148 . 1 1 12 12 A C2' C 13 73.03 0.02 . . . . . A 12 A C2' . 17671 1 149 . 1 1 12 12 A C3' C 13 76.45 0.02 . . . . . A 12 A C3' . 17671 1 150 . 1 1 12 12 A C4' C 13 84.54 0.02 . . . . . A 12 A C4' . 17671 1 151 . 1 1 12 12 A C8 C 13 141.28 0.02 . 1 . . . A 12 A C8 . 17671 1 152 . 1 1 13 13 U H1' H 1 5.69 0.02 . . . . . A 13 U H1' . 17671 1 153 . 1 1 13 13 U H2' H 1 4.23 0.02 . . . . . A 13 U H2' . 17671 1 154 . 1 1 13 13 U H3' H 1 4.52 0.02 . . . . . A 13 U H3' . 17671 1 155 . 1 1 13 13 U H4' H 1 4.22 0.02 . . . . . A 13 U H4' . 17671 1 156 . 1 1 13 13 U H5 H 1 5.56 0.02 . 1 . . . A 13 U H5 . 17671 1 157 . 1 1 13 13 U H5' H 1 3.95 0.02 . . . . . A 13 U H5' . 17671 1 158 . 1 1 13 13 U H6 H 1 7.58 0.02 . 1 . . . A 13 U H6 . 17671 1 159 . 1 1 13 13 U C1' C 13 90.4 0.02 . . . . . A 13 U C1' . 17671 1 160 . 1 1 13 13 U C2' C 13 75.8 0.02 . . . . . A 13 U C2' . 17671 1 161 . 1 1 13 13 U C3' C 13 77.28 0.02 . . . . . A 13 U C3' . 17671 1 162 . 1 1 13 13 U C4' C 13 85.36 0.02 . . . . . A 13 U C4' . 17671 1 163 . 1 1 13 13 U C5 C 13 105.2 0.02 . 1 . . . A 13 U C5 . 17671 1 164 . 1 1 13 13 U C6 C 13 143.3 0.02 . 1 . . . A 13 U C6 . 17671 1 165 . 1 1 14 14 U H1' H 1 5.69 0.02 . . . . . A 14 U H1' . 17671 1 166 . 1 1 14 14 U H2' H 1 4.22 0.02 . . . . . A 14 U H2' . 17671 1 167 . 1 1 14 14 U H3' H 1 4.52 0.02 . . . . . A 14 U H3' . 17671 1 168 . 1 1 14 14 U H4' H 1 4.22 0.02 . . . . . A 14 U H4' . 17671 1 169 . 1 1 14 14 U H5 H 1 5.77 0.02 . 1 . . . A 14 U H5 . 17671 1 170 . 1 1 14 14 U H5' H 1 3.95 0.02 . . . . . A 14 U H5' . 17671 1 171 . 1 1 14 14 U H6 H 1 7.63 0.02 . 1 . . . A 14 U H6 . 17671 1 172 . 1 1 14 14 U C1' C 13 90.4 0.02 . . . . . A 14 U C1' . 17671 1 173 . 1 1 14 14 U C2' C 13 75.8 0.02 . . . . . A 14 U C2' . 17671 1 174 . 1 1 14 14 U C3' C 13 77.24 0.02 . . . . . A 14 U C3' . 17671 1 175 . 1 1 14 14 U C4' C 13 85.26 0.02 . . . . . A 14 U C4' . 17671 1 176 . 1 1 14 14 U C5 C 13 105.49 0.02 . 1 . . . A 14 U C5 . 17671 1 177 . 1 1 14 14 U C6 C 13 143.98 0.02 . 1 . . . A 14 U C6 . 17671 1 178 . 1 1 15 15 A H1' H 1 5.84 0.02 . . . . . A 15 A H1' . 17671 1 179 . 1 1 15 15 A H2 H 1 8 0.02 . 1 . . . A 15 A H2 . 17671 1 180 . 1 1 15 15 A H2' H 1 4.58 0.02 . . . . . A 15 A H2' . 17671 1 181 . 1 1 15 15 A H3' H 1 4.72 0.02 . . . . . A 15 A H3' . 17671 1 182 . 1 1 15 15 A H4' H 1 4.28 0.02 . . . . . A 15 A H4' . 17671 1 183 . 1 1 15 15 A H5' H 1 3.98 0.02 . . . . . A 15 A H5' . 17671 1 184 . 1 1 15 15 A H5'' H 1 3.89 0.02 . 2 . . . A 15 A H5'' . 17671 1 185 . 1 1 15 15 A H8 H 1 8.14 0.02 . 1 . . . A 15 A H8 . 17671 1 186 . 1 1 15 15 A C1' C 13 90.17 0.02 . . . . . A 15 A C1' . 17671 1 187 . 1 1 15 15 A C2 C 13 154.97 0.02 . 1 . . . A 15 A C2 . 17671 1 188 . 1 1 15 15 A C2' C 13 76.76 0.02 . . . . . A 15 A C2' . 17671 1 189 . 1 1 15 15 A C3' C 13 77.45 0.02 . . . . . A 15 A C3' . 17671 1 190 . 1 1 15 15 A C4' C 13 85.39 0.02 . . . . . A 15 A C4' . 17671 1 191 . 1 1 15 15 A C8 C 13 142.09 0.02 . 1 . . . A 15 A C8 . 17671 1 192 . 1 1 16 16 G H1' H 1 5.79 0.02 . . . . . A 16 G H1' . 17671 1 193 . 1 1 16 16 G H2' H 1 4.88 0.02 . . . . . A 16 G H2' . 17671 1 194 . 1 1 16 16 G H3' H 1 4.86 0.02 . . . . . A 16 G H3' . 17671 1 195 . 1 1 16 16 G H4' H 1 4.49 0.02 . . . . . A 16 G H4' . 17671 1 196 . 1 1 16 16 G H5' H 1 4.28 0.02 . . . . . A 16 G H5' . 17671 1 197 . 1 1 16 16 G H5'' H 1 4.2 0.02 . 2 . . . A 16 G H5'' . 17671 1 198 . 1 1 16 16 G H8 H 1 7.88 0.02 . 1 . . . A 16 G H8 . 17671 1 199 . 1 1 16 16 G C1' C 13 91.77 0.02 . . . . . A 16 G C1' . 17671 1 200 . 1 1 16 16 G C2' C 13 77.03 0.02 . . . . . A 16 G C2' . 17671 1 201 . 1 1 16 16 G C3' C 13 75.29 0.02 . . . . . A 16 G C3' . 17671 1 202 . 1 1 16 16 G C4' C 13 85.41 0.02 . . . . . A 16 G C4' . 17671 1 203 . 1 1 16 16 G C8 C 13 140.66 0.02 . 1 . . . A 16 G C8 . 17671 1 204 . 1 1 17 17 U H1' H 1 5.99 0.02 . . . . . A 17 U H1' . 17671 1 205 . 1 1 17 17 U H2' H 1 4.51 0.02 . . . . . A 17 U H2' . 17671 1 206 . 1 1 17 17 U H3' H 1 4.77 0.02 . . . . . A 17 U H3' . 17671 1 207 . 1 1 17 17 U H4' H 1 4.51 0.02 . . . . . A 17 U H4' . 17671 1 208 . 1 1 17 17 U H5 H 1 5.87 0.02 . 1 . . . A 17 U H5 . 17671 1 209 . 1 1 17 17 U H5' H 1 4.27 0.02 . . . . . A 17 U H5' . 17671 1 210 . 1 1 17 17 U H6 H 1 7.88 0.02 . 1 . . . A 17 U H6 . 17671 1 211 . 1 1 17 17 U C1' C 13 90.97 0.02 . . . . . A 17 U C1' . 17671 1 212 . 1 1 17 17 U C2' C 13 77.31 0.02 . . . . . A 17 U C2' . 17671 1 213 . 1 1 17 17 U C3' C 13 76.96 0.02 . . . . . A 17 U C3' . 17671 1 214 . 1 1 17 17 U C4' C 13 85.31 0.02 . . . . . A 17 U C4' . 17671 1 215 . 1 1 17 17 U C5 C 13 105.58 0.02 . 1 . . . A 17 U C5 . 17671 1 216 . 1 1 17 17 U C6 C 13 143.89 0.02 . 1 . . . A 17 U C6 . 17671 1 217 . 1 1 18 18 G H1 H 1 11.91 0.02 . 1 . . . A 18 G H1 . 17671 1 218 . 1 1 18 18 G H1' H 1 5.48 0.02 . . . . . A 18 G H1' . 17671 1 219 . 1 1 18 18 G H2' H 1 4.71 0.02 . . . . . A 18 G H2' . 17671 1 220 . 1 1 18 18 G H3' H 1 4.61 0.02 . . . . . A 18 G H3' . 17671 1 221 . 1 1 18 18 G H4' H 1 4.49 0.02 . . . . . A 18 G H4' . 17671 1 222 . 1 1 18 18 G H5' H 1 4.39 0.02 . . . . . A 18 G H5' . 17671 1 223 . 1 1 18 18 G H5'' H 1 4.24 0.02 . 2 . . . A 18 G H5'' . 17671 1 224 . 1 1 18 18 G H8 H 1 7.93 0.02 . 1 . . . A 18 G H8 . 17671 1 225 . 1 1 18 18 G C1' C 13 92.66 0.02 . . . . . A 18 G C1' . 17671 1 226 . 1 1 18 18 G C2' C 13 77.03 0.02 . . . . . A 18 G C2' . 17671 1 227 . 1 1 18 18 G C3' C 13 75.29 0.02 . . . . . A 18 G C3' . 17671 1 228 . 1 1 18 18 G C4' C 13 83.14 0.02 . . . . . A 18 G C4' . 17671 1 229 . 1 1 18 18 G C8 C 13 138.15 0.02 . 1 . . . A 18 G C8 . 17671 1 230 . 1 1 18 18 G N1 N 15 146.99 0.02 . 1 . . . A 18 G N1 . 17671 1 231 . 1 1 19 19 A H1' H 1 5.92 0.02 . . . . . A 19 A H1' . 17671 1 232 . 1 1 19 19 A H2 H 1 7.18 0.02 . 1 . . . A 19 A H2 . 17671 1 233 . 1 1 19 19 A H2' H 1 4.71 0.02 . . . . . A 19 A H2' . 17671 1 234 . 1 1 19 19 A H3' H 1 4.57 0.02 . . . . . A 19 A H3' . 17671 1 235 . 1 1 19 19 A H4' H 1 4.53 0.02 . . . . . A 19 A H4' . 17671 1 236 . 1 1 19 19 A H5' H 1 4.21 0.02 . . . . . A 19 A H5' . 17671 1 237 . 1 1 19 19 A H8 H 1 7.88 0.02 . 1 . . . A 19 A H8 . 17671 1 238 . 1 1 19 19 A C1' C 13 93.12 0.02 . . . . . A 19 A C1' . 17671 1 239 . 1 1 19 19 A C2 C 13 153.06 0.02 . 1 . . . A 19 A C2 . 17671 1 240 . 1 1 19 19 A C2' C 13 75.63 0.02 . . . . . A 19 A C2' . 17671 1 241 . 1 1 19 19 A C3' C 13 76.48 0.02 . . . . . A 19 A C3' . 17671 1 242 . 1 1 19 19 A C4' C 13 82.49 0.02 . . . . . A 19 A C4' . 17671 1 243 . 1 1 19 19 A C8 C 13 139.77 0.02 . 1 . . . A 19 A C8 . 17671 1 244 . 1 1 19 19 A N1 N 15 220.26 0.02 . 1 . . . A 19 A N1 . 17671 1 245 . 1 1 20 20 A H1' H 1 5.76 0.02 . . . . . A 20 A H1' . 17671 1 246 . 1 1 20 20 A H2 H 1 7.75 0.02 . 1 . . . A 20 A H2 . 17671 1 247 . 1 1 20 20 A H2' H 1 4.6 0.02 . . . . . A 20 A H2' . 17671 1 248 . 1 1 20 20 A H3' H 1 4.39 0.02 . . . . . A 20 A H3' . 17671 1 249 . 1 1 20 20 A H4' H 1 4.51 0.02 . . . . . A 20 A H4' . 17671 1 250 . 1 1 20 20 A H5' H 1 4.1 0.02 . . . . . A 20 A H5' . 17671 1 251 . 1 1 20 20 A H8 H 1 7.54 0.02 . 1 . . . A 20 A H8 . 17671 1 252 . 1 1 20 20 A C1' C 13 93.34 0.02 . . . . . A 20 A C1' . 17671 1 253 . 1 1 20 20 A C2 C 13 153.83 0.02 . 1 . . . A 20 A C2 . 17671 1 254 . 1 1 20 20 A C2' C 13 75.84 0.02 . . . . . A 20 A C2' . 17671 1 255 . 1 1 20 20 A C3' C 13 72.93 0.02 . . . . . A 20 A C3' . 17671 1 256 . 1 1 20 20 A C4' C 13 82.33 0.02 . . . . . A 20 A C4' . 17671 1 257 . 1 1 20 20 A C8 C 13 139 0.02 . 1 . . . A 20 A C8 . 17671 1 258 . 1 1 20 20 A N1 N 15 222.02 0.02 . 1 . . . A 20 A N1 . 17671 1 259 . 1 1 21 21 C H1' H 1 5.3 0.02 . . . . . A 21 C H1' . 17671 1 260 . 1 1 21 21 C H2' H 1 4.36 0.02 . . . . . A 21 C H2' . 17671 1 261 . 1 1 21 21 C H3' H 1 4.48 0.02 . . . . . A 21 C H3' . 17671 1 262 . 1 1 21 21 C H4' H 1 4.38 0.02 . . . . . A 21 C H4' . 17671 1 263 . 1 1 21 21 C H5 H 1 5.41 0.02 . 1 . . . A 21 C H5 . 17671 1 264 . 1 1 21 21 C H5' H 1 4.11 0.02 . . . . . A 21 C H5' . 17671 1 265 . 1 1 21 21 C H6 H 1 7.56 0.02 . 1 . . . A 21 C H6 . 17671 1 266 . 1 1 21 21 C C1' C 13 93.62 0.02 . . . . . A 21 C C1' . 17671 1 267 . 1 1 21 21 C C2' C 13 75.98 0.02 . . . . . A 21 C C2' . 17671 1 268 . 1 1 21 21 C C3' C 13 72.79 0.02 . . . . . A 21 C C3' . 17671 1 269 . 1 1 21 21 C C4' C 13 82.27 0.02 . . . . . A 21 C C4' . 17671 1 270 . 1 1 21 21 C C5 C 13 98.01 0.02 . 1 . . . A 21 C C5 . 17671 1 271 . 1 1 21 21 C C6 C 13 140.84 0.02 . 1 . . . A 21 C C6 . 17671 1 272 . 1 1 22 22 G H1 H 1 12.33 0.02 . 1 . . . A 22 G H1 . 17671 1 273 . 1 1 22 22 G H1' H 1 5.73 0.02 . . . . . A 22 G H1' . 17671 1 274 . 1 1 22 22 G H2' H 1 4.65 0.02 . . . . . A 22 G H2' . 17671 1 275 . 1 1 22 22 G H3' H 1 4.63 0.02 . . . . . A 22 G H3' . 17671 1 276 . 1 1 22 22 G H4' H 1 4.49 0.02 . . . . . A 22 G H4' . 17671 1 277 . 1 1 22 22 G H5' H 1 4.42 0.02 . . . . . A 22 G H5' . 17671 1 278 . 1 1 22 22 G H8 H 1 7.79 0.02 . 1 . . . A 22 G H8 . 17671 1 279 . 1 1 22 22 G C1' C 13 90.67 0.02 . . . . . A 22 G C1' . 17671 1 280 . 1 1 22 22 G C2' C 13 75.33 0.02 . . . . . A 22 G C2' . 17671 1 281 . 1 1 22 22 G C3' C 13 73.38 0.02 . . . . . A 22 G C3' . 17671 1 282 . 1 1 22 22 G C4' C 13 83.17 0.02 . . . . . A 22 G C4' . 17671 1 283 . 1 1 22 22 G C8 C 13 137.83 0.02 . 1 . . . A 22 G C8 . 17671 1 284 . 1 1 22 22 G N1 N 15 147.69 0.02 . 1 . . . A 22 G N1 . 17671 1 285 . 1 1 23 23 G H1 H 1 12.38 0.02 . 1 . . . A 23 G H1 . 17671 1 286 . 1 1 23 23 G H1' H 1 5.67 0.02 . . . . . A 23 G H1' . 17671 1 287 . 1 1 23 23 G H2' H 1 4.58 0.02 . . . . . A 23 G H2' . 17671 1 288 . 1 1 23 23 G H3' H 1 4.5 0.02 . . . . . A 23 G H3' . 17671 1 289 . 1 1 23 23 G H4' H 1 4.58 0.02 . . . . . A 23 G H4' . 17671 1 290 . 1 1 23 23 G H5' H 1 4.42 0.02 . . . . . A 23 G H5' . 17671 1 291 . 1 1 23 23 G H5'' H 1 4.22 0.02 . 2 . . . A 23 G H5'' . 17671 1 292 . 1 1 23 23 G H8 H 1 7.39 0.02 . 1 . . . A 23 G H8 . 17671 1 293 . 1 1 23 23 G C1' C 13 93.18 0.02 . . . . . A 23 G C1' . 17671 1 294 . 1 1 23 23 G C3' C 13 73.56 0.02 . . . . . A 23 G C3' . 17671 1 295 . 1 1 23 23 G C4' C 13 82.63 0.02 . . . . . A 23 G C4' . 17671 1 296 . 1 1 23 23 G C8 C 13 136.99 0.02 . 1 . . . A 23 G C8 . 17671 1 297 . 1 1 23 23 G N1 N 15 147.7 0.02 . 1 . . . A 23 G N1 . 17671 1 298 . 1 1 24 24 A H1' H 1 5.97 0.02 . . . . . A 24 A H1' . 17671 1 299 . 1 1 24 24 A H2 H 1 7.79 0.02 . 1 . . . A 24 A H2 . 17671 1 300 . 1 1 24 24 A H2' H 1 4.47 0.02 . . . . . A 24 A H2' . 17671 1 301 . 1 1 24 24 A H3' H 1 4.62 0.02 . . . . . A 24 A H3' . 17671 1 302 . 1 1 24 24 A H4' H 1 4.49 0.02 . . . . . A 24 A H4' . 17671 1 303 . 1 1 24 24 A H5' H 1 4.13 0.02 . . . . . A 24 A H5' . 17671 1 304 . 1 1 24 24 A H8 H 1 7.83 0.02 . 1 . . . A 24 A H8 . 17671 1 305 . 1 1 24 24 A C1' C 13 93.24 0.02 . . . . . A 24 A C1' . 17671 1 306 . 1 1 24 24 A C2 C 13 154.11 0.02 . 1 . . . A 24 A C2 . 17671 1 307 . 1 1 24 24 A C2' C 13 72.84 0.02 . . . . . A 24 A C2' . 17671 1 308 . 1 1 24 24 A C3' C 13 73.2 0.02 . . . . . A 24 A C3' . 17671 1 309 . 1 1 24 24 A C4' C 13 82.42 0.02 . . . . . A 24 A C4' . 17671 1 310 . 1 1 24 24 A C8 C 13 139.67 0.02 . 1 . . . A 24 A C8 . 17671 1 311 . 1 1 24 24 A N1 N 15 222.6 0.02 . 1 . . . A 24 A N1 . 17671 1 312 . 1 1 25 25 U H1' H 1 5.52 0.02 . . . . . A 25 U H1' . 17671 1 313 . 1 1 25 25 U H2' H 1 4.39 0.02 . . . . . A 25 U H2' . 17671 1 314 . 1 1 25 25 U H3 H 1 14.17 0.02 . 1 . . . A 25 U H3 . 17671 1 315 . 1 1 25 25 U H3' H 1 4.43 0.02 . . . . . A 25 U H3' . 17671 1 316 . 1 1 25 25 U H4' H 1 4.42 0.02 . . . . . A 25 U H4' . 17671 1 317 . 1 1 25 25 U H5 H 1 5.02 0.02 . 1 . . . A 25 U H5 . 17671 1 318 . 1 1 25 25 U H5' H 1 4.09 0.02 . . . . . A 25 U H5' . 17671 1 319 . 1 1 25 25 U H6 H 1 7.67 0.02 . 1 . . . A 25 U H6 . 17671 1 320 . 1 1 25 25 U C1' C 13 93.58 0.02 . . . . . A 25 U C1' . 17671 1 321 . 1 1 25 25 U C2' C 13 75.62 0.02 . . . . . A 25 U C2' . 17671 1 322 . 1 1 25 25 U C3' C 13 72.49 0.02 . . . . . A 25 U C3' . 17671 1 323 . 1 1 25 25 U C4' C 13 82.2 0.02 . . . . . A 25 U C4' . 17671 1 324 . 1 1 25 25 U C5 C 13 102.79 0.02 . 1 . . . A 25 U C5 . 17671 1 325 . 1 1 25 25 U C6 C 13 141.6 0.02 . 1 . . . A 25 U C6 . 17671 1 326 . 1 1 25 25 U N3 N 15 163.49 0.02 . 1 . . . A 25 U N3 . 17671 1 327 . 1 1 26 26 C H1' H 1 5.6 0.02 . . . . . A 26 C H1' . 17671 1 328 . 1 1 26 26 C H2' H 1 4.25 0.02 . . . . . A 26 C H2' . 17671 1 329 . 1 1 26 26 C H3' H 1 4.43 0.02 . . . . . A 26 C H3' . 17671 1 330 . 1 1 26 26 C H4' H 1 4.43 0.02 . . . . . A 26 C H4' . 17671 1 331 . 1 1 26 26 C H5 H 1 5.61 0.02 . 1 . . . A 26 C H5 . 17671 1 332 . 1 1 26 26 C H5' H 1 4.51 0.02 . . . . . A 26 C H5' . 17671 1 333 . 1 1 26 26 C H5'' H 1 4.07 0.02 . 2 . . . A 26 C H5'' . 17671 1 334 . 1 1 26 26 C H6 H 1 7.84 0.02 . 1 . . . A 26 C H6 . 17671 1 335 . 1 1 26 26 C C1' C 13 94.4 0.02 . . . . . A 26 C C1' . 17671 1 336 . 1 1 26 26 C C2' C 13 75.85 0.02 . . . . . A 26 C C2' . 17671 1 337 . 1 1 26 26 C C3' C 13 72.55 0.02 . . . . . A 26 C C3' . 17671 1 338 . 1 1 26 26 C C4' C 13 82.15 0.02 . . . . . A 26 C C4' . 17671 1 339 . 1 1 26 26 C C5 C 13 97.8 0.02 . 1 . . . A 26 C C5 . 17671 1 340 . 1 1 26 26 C C6 C 13 141.81 0.02 . 1 . . . A 26 C C6 . 17671 1 341 . 1 1 26 26 C N3 N 15 198.2 0.02 . 1 . . . A 26 C N3 . 17671 1 stop_ save_