data_17106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17106 _Entry.Title ; solution structure of a preQ1 riboswitch (Class I) aptamer bound to preQ1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-06 _Entry.Accession_date 2010-08-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 . . . 17106 2 Qi Zhang . . . 17106 3 Juli Feigon . . . 17106 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 . 'not applicable' 'not applicable' . 17106 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID aptamer . 17106 preQ1 . 17106 pseudoknot . 17106 riboswitch . 17106 RNA . 17106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 17106 '15N chemical shifts' 67 17106 '1H chemical shifts' 319 17106 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-25 2010-08-06 update author 'update chemical shifts' 17106 1 . . 2010-08-19 2010-08-06 original author 'original release' 17106 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L1V 'BMRB Entry Tracking System' 17106 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17106 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19285444 _Citation.Full_citation . _Citation.Title 'Structural Insights into Riboswitch Control of the Biosynthesis of Queuosine, a Modified Nucleotide Found in the Anticodon of tRNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 33 _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 784 _Citation.Page_last 790 _Citation.Year 2009 _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 . . . 17106 1 2 Qi Zhang . . . 17106 1 3 Robert Peterson . D. . 17106 1 4 Juli Feigon . . . 17106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17106 _Assembly.ID 1 _Assembly.Name '36-MER, 7-DEAZA-7-AMINOMETHYL-GUANINE' _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 (36-MER)' 1 $RNA_(36-MER) A . yes native no no . . . 17106 1 2 7-DEAZA-7-AMINOMETHYL-GUANINE 2 $PRF B . yes native no no . . . 17106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(36-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(36-MER) _Entity.Entry_ID 17106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(36-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 ; GGAGAGGUUCUAGUUAUACC CUCUAUAAAAAACUAA ; _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 36 _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 11527.992 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'gene control at transcriptional level' 17106 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 17106 1 2 . G . 17106 1 3 . A . 17106 1 4 . G . 17106 1 5 . A . 17106 1 6 . G . 17106 1 7 . G . 17106 1 8 . U . 17106 1 9 . U . 17106 1 10 . C . 17106 1 11 . U . 17106 1 12 . A . 17106 1 13 . G . 17106 1 14 . U . 17106 1 15 . U . 17106 1 16 . A . 17106 1 17 . U . 17106 1 18 . A . 17106 1 19 . C . 17106 1 20 . C . 17106 1 21 . C . 17106 1 22 . U . 17106 1 23 . C . 17106 1 24 . U . 17106 1 25 . A . 17106 1 26 . U . 17106 1 27 . A . 17106 1 28 . A . 17106 1 29 . A . 17106 1 30 . A . 17106 1 31 . A . 17106 1 32 . A . 17106 1 33 . C . 17106 1 34 . U . 17106 1 35 . A . 17106 1 36 . A . 17106 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 17106 1 . G 2 2 17106 1 . A 3 3 17106 1 . G 4 4 17106 1 . A 5 5 17106 1 . G 6 6 17106 1 . G 7 7 17106 1 . U 8 8 17106 1 . U 9 9 17106 1 . C 10 10 17106 1 . U 11 11 17106 1 . A 12 12 17106 1 . G 13 13 17106 1 . U 14 14 17106 1 . U 15 15 17106 1 . A 16 16 17106 1 . U 17 17 17106 1 . A 18 18 17106 1 . C 19 19 17106 1 . C 20 20 17106 1 . C 21 21 17106 1 . U 22 22 17106 1 . C 23 23 17106 1 . U 24 24 17106 1 . A 25 25 17106 1 . U 26 26 17106 1 . A 27 27 17106 1 . A 28 28 17106 1 . A 29 29 17106 1 . A 30 30 17106 1 . A 31 31 17106 1 . A 32 32 17106 1 . C 33 33 17106 1 . U 34 34 17106 1 . A 35 35 17106 1 . A 36 36 17106 1 stop_ save_ save_PRF _Entity.Sf_category entity _Entity.Sf_framecode PRF _Entity.Entry_ID 17106 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PRF _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PRF _Entity.Nonpolymer_comp_label $chem_comp_PRF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . PRF . 17106 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 17106 _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_(36-MER) . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17106 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 17106 _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_(36-MER) . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17106 1 2 2 $PRF . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17106 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 17106 _Chem_comp.ID PRF _Chem_comp.Provenance . _Chem_comp.Name 7-DEAZA-7-AMINOMETHYL-GUANINE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PRF _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PRF _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 no _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:51:40 2009 ; _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 17106 PRF c1c(c2c([nH]1)N=C(NC2=O)N)CN SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17106 PRF InChI=1/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)/f/h10,12H,9H2 InChI InChI 1.02b 17106 PRF MEYMBLGOKYDGLZ-NKUVXRGSCK InChIKey InChI 1.02b 17106 PRF NCc1c[nH]c2N=C(N)NC(=O)c12 SMILES CACTVS 3.341 17106 PRF NCc1c[nH]c2N=C(N)NC(=O)c12 SMILES_CANONICAL CACTVS 3.341 17106 PRF O=C1c2c(cnc2N=C(N1)N)CN SMILES ACDLabs 10.04 17106 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 17106 PRF 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17106 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 C10 . C10 . . C . . N 0 . . . . . . . . . . 19.202 . 17.662 . 19.513 . 0.881 -0.016 2.753 . . 17106 PRF C2 . C2 . . C . . N 0 . . . . . . . . . . 15.705 . 16.973 . 23.651 . -0.113 0.005 -2.482 . . 17106 PRF C4 . C4 . . C . . N 0 . . . . . . . . . . 16.068 . 16.940 . 21.273 . -1.143 -0.005 -0.411 . . 17106 PRF C5 . C5 . . C . . N 0 . . . . . . . . . . 17.352 . 17.283 . 21.400 . 0.110 -0.001 0.214 . . 17106 PRF C6 . C6 . . C . . N 0 . . . . . . . . . . 17.897 . 17.489 . 22.765 . 1.276 -0.002 -0.582 . . 17106 PRF C7 . C7 . . C . . N 0 . . . . . . . . . . 17.829 . 17.333 . 20.009 . -0.149 -0.012 1.653 . . 17106 PRF C8 . C8 . . C . . N 0 . . . . . . . . . . 16.788 . 17.024 . 19.253 . -1.483 -0.014 1.805 . . 17106 PRF H101 . H101 . . H . . N 0 . . . . . . . . . . 19.511 . 18.632 . 19.967 . 1.503 0.874 2.670 . . 17106 PRF H102 . H102 . . H . . N 0 . . . . . . . . . . 19.919 . 16.950 . 19.983 . 1.505 -0.905 2.664 . . 17106 PRF H111 . H111 . . H . . N 0 . . . . . . . . . . 20.432 . 17.944 . 17.718 . 0.929 -0.023 4.760 . . 17106 PRF H112 . H112 . . H . . N 0 . . . . . . . . . . 18.840 . 18.371 . 17.626 . -0.275 0.862 4.139 . . 17106 PRF H81 . H81 . . H . . N 0 . . . . . . . . . . 16.771 . 16.963 . 18.151 . -2.002 -0.018 2.752 . . 17106 PRF H91 . H91 . . H . . N 0 . . . . . . . . . . 17.400 . 17.461 . 24.768 . 1.915 0.007 -2.497 . . 17106 PRF HN21 . HN21 . . H . . N 0 . . . . . . . . . . 13.993 . 16.589 . 24.578 . -1.108 0.012 -4.261 . . 17106 PRF HN22 . HN22 . . H . . N 0 . . . . . . . . . . 15.024 . 17.703 . 25.256 . 0.565 0.014 -4.404 . . 17106 PRF HN91 . HN91 . . H . . N 0 . . . . . . . . . . 14.846 . 16.539 . 19.667 . -3.046 -0.009 0.423 . . 17106 PRF N1 . N1 . . N . . N 0 . . . . . . . . . . 17.038 . 17.322 . 23.825 . 1.131 0.003 -1.926 . . 17106 PRF N11 . N11 . . N . . N 0 . . . . . . . . . . 19.497 . 17.720 . 18.057 . 0.204 -0.021 4.057 . . 17106 PRF N2 . N2 . . N . . N 0 . . . . . . . . . . 14.972 . 16.846 . 24.706 . -0.230 0.011 -3.849 . . 17106 PRF N3 . N3 . . N . . N 0 . . . . . . . . . . 15.222 . 16.783 . 22.459 . -1.204 0.000 -1.751 . . 17106 PRF N9 . N9 . . N . . N 0 . . . . . . . . . . 15.770 . 16.798 . 20.015 . -2.087 -0.009 0.572 . . 17106 PRF O6 . O6 . . O . . N 0 . . . . . . . . . . 19.064 . 17.796 . 22.887 . 2.383 -0.003 -0.071 . . 17106 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 . . . . 17106 PRF 2 . SING N1 C6 . . . . 17106 PRF 3 . SING N1 H91 . . . . 17106 PRF 4 . DOUB C2 N3 . . . . 17106 PRF 5 . SING C2 N2 . . . . 17106 PRF 6 . SING N3 C4 . . . . 17106 PRF 7 . DOUB C4 C5 . . . . 17106 PRF 8 . SING C4 N9 . . . . 17106 PRF 9 . SING C5 C6 . . . . 17106 PRF 10 . SING C5 C7 . . . . 17106 PRF 11 . DOUB C6 O6 . . . . 17106 PRF 12 . SING C7 C10 . . . . 17106 PRF 13 . DOUB C7 C8 . . . . 17106 PRF 14 . SING C10 N11 . . . . 17106 PRF 15 . SING C10 H101 . . . . 17106 PRF 16 . SING C10 H102 . . . . 17106 PRF 17 . SING N11 H111 . . . . 17106 PRF 18 . SING N11 H112 . . . . 17106 PRF 19 . SING C8 N9 . . . . 17106 PRF 20 . SING C8 H81 . . . . 17106 PRF 21 . SING N9 HN91 . . . . 17106 PRF 22 . SING N2 HN21 . . . . 17106 PRF 23 . SING N2 HN22 . . . . 17106 PRF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17106 _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 'preQ1-RNA 36mer' '[U-13C; U-15N]-Cyt' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17106 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17106 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'preQ1-RNA 36mer' 'natural abundance' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17106 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17106 2 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17106 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O, phage' _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 'preQ1-RNA 36mer' '[U-13C; U-15N]' . . 1 $RNA_(36-MER) . . 0.7 . . mM . . . . 17106 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17106 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17106 3 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17106 _Sample.ID 4 _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 'preQ1-RNA 36mer' '[U-13C; U-15N]-Ade' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17106 4 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17106 _Sample.ID 5 _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 'preQ1-RNA 36mer' '[U-13C; U-15N]-Gua' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17106 5 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17106 _Sample.ID 6 _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 'preQ1-RNA 36mer' '[U-13C; U-15N]-Ura' . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 6 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17106 6 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17106 _Sample.ID 7 _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 'preQ1-RNA 36mer' U-H5,3',4',5',5''-2H . . 1 $RNA_(36-MER) . . 1 . . mM . . . . 17106 7 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17106 7 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17106 7 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 17106 _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' 50 . mM 17106 1 pH 6.3 . pH 17106 1 pressure 1 . atm 17106 1 temperature 300 . K 17106 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17106 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17106 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17106 1 processing 17106 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17106 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17106 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17106 2 'data analysis' 17106 2 'peak picking' 17106 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17106 _Software.ID 3 _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' . . 17106 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17106 3 'structure solution' 17106 3 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 17106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17106 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17106 _NMR_spectrometer.ID 3 _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 17106 _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 . 500 . . . 17106 1 2 spectrometer_2 Bruker DRX . 600 . . . 17106 1 3 spectrometer_3 Bruker Avance . 800 . . . 17106 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 17106 _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 . . . . . . . . . . . . . . . . . . . . . 17106 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 5 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 7 '2D 1H-15N COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17106 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 17106 _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 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17106 1 H 1 water protons . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17106 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17106 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 17106 _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' . . . 17106 1 2 '2D 1H-1H NOESY' . . . 17106 1 4 '3D HCCH-TOCSY' . . . 17106 1 8 '2D 1H-13C HSQC' . . . 17106 1 9 '2D 1H-15N HSQC' . . . 17106 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 17106 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 6.09 . . 1 . . . . 1 G H1 . 17106 1 2 . 1 1 1 1 G H1' H 1 5.43 . . 1 . . . . 1 G H1' . 17106 1 3 . 1 1 1 1 G H2' H 1 4.5 . . 1 . . . . 1 G H2' . 17106 1 4 . 1 1 1 1 G H3' H 1 4.71 . . 1 . . . . 1 G H3' . 17106 1 5 . 1 1 1 1 G H4' H 1 4.31 . . 1 . . . . 1 G H4' . 17106 1 6 . 1 1 1 1 G H5' H 1 4.11 . . 2 . . . . 1 G H5' . 17106 1 7 . 1 1 1 1 G H8 H 1 7.85 . . 1 . . . . 1 G H8 . 17106 1 8 . 1 1 1 1 G C1' C 13 88.93 . . 1 . . . . 1 G C1' . 17106 1 9 . 1 1 1 1 G C2' C 13 76.02 . . 1 . . . . 1 G C2' . 17106 1 10 . 1 1 1 1 G C3' C 13 77.88 . . 1 . . . . 1 G C3' . 17106 1 11 . 1 1 1 1 G C4' C 13 85.07 . . 1 . . . . 1 G C4' . 17106 1 12 . 1 1 1 1 G C5' C 13 68.04 . . 1 . . . . 1 G C5' . 17106 1 13 . 1 1 1 1 G C8 C 13 137.5 . . 1 . . . . 1 G C8 . 17106 1 14 . 1 1 1 1 G N1 N 15 72.84 . . 1 . . . . 1 G N1 . 17106 1 15 . 1 1 2 2 G H1 H 1 6.25 . . 1 . . . . 2 G H1 . 17106 1 16 . 1 1 2 2 G H1' H 1 5.69 . . 1 . . . . 2 G H1' . 17106 1 17 . 1 1 2 2 G H2' H 1 4.75 . . 1 . . . . 2 G H2' . 17106 1 18 . 1 1 2 2 G H3' H 1 4.72 . . 1 . . . . 2 G H3' . 17106 1 19 . 1 1 2 2 G H4' H 1 4.56 . . 1 . . . . 2 G H4' . 17106 1 20 . 1 1 2 2 G H5' H 1 4.2 . . 2 . . . . 2 G H5' . 17106 1 21 . 1 1 2 2 G H5'' H 1 4.13 . . 1 . . . . 2 G H5'' . 17106 1 22 . 1 1 2 2 G H8 H 1 7.84 . . 1 . . . . 2 G H8 . 17106 1 23 . 1 1 2 2 G C1' C 13 89.51 . . 1 . . . . 2 G C1' . 17106 1 24 . 1 1 2 2 G C2' C 13 74.84 . . 1 . . . . 2 G C2' . 17106 1 25 . 1 1 2 2 G C3' C 13 77.11 . . 1 . . . . 2 G C3' . 17106 1 26 . 1 1 2 2 G C4' C 13 84.63 . . 1 . . . . 2 G C4' . 17106 1 27 . 1 1 2 2 G C5' C 13 67.98 . . 1 . . . . 2 G C5' . 17106 1 28 . 1 1 2 2 G C8 C 13 137.1 . . 1 . . . . 2 G C8 . 17106 1 29 . 1 1 2 2 G N1 N 15 73.12 . . 1 . . . . 2 G N1 . 17106 1 30 . 1 1 3 3 A H1' H 1 5.94 . . 1 . . . . 3 A H1' . 17106 1 31 . 1 1 3 3 A H2 H 1 7.61 . . 1 . . . . 3 A H2 . 17106 1 32 . 1 1 3 3 A H2' H 1 4.98 . . 1 . . . . 3 A H2' . 17106 1 33 . 1 1 3 3 A H3' H 1 4.76 . . 1 . . . . 3 A H3' . 17106 1 34 . 1 1 3 3 A H4' H 1 4.6 . . 1 . . . . 3 A H4' . 17106 1 35 . 1 1 3 3 A H5' H 1 4.4 . . 1 . . . . 3 A H5' . 17106 1 36 . 1 1 3 3 A H5'' H 1 4.27 . . 1 . . . . 3 A H5'' . 17106 1 37 . 1 1 3 3 A H8 H 1 8.32 . . 1 . . . . 3 A H8 . 17106 1 38 . 1 1 3 3 A H61 H 1 7.42 . . 2 . . . . 3 A H61 . 17106 1 39 . 1 1 3 3 A C1' C 13 90.5 . . 1 . . . . 3 A C1' . 17106 1 40 . 1 1 3 3 A C2 C 13 150.9 . . 1 . . . . 3 A C2 . 17106 1 41 . 1 1 3 3 A C2' C 13 75.06 . . 1 . . . . 3 A C2' . 17106 1 42 . 1 1 3 3 A C3' C 13 75.21 . . 1 . . . . 3 A C3' . 17106 1 43 . 1 1 3 3 A C4' C 13 83.52 . . 1 . . . . 3 A C4' . 17106 1 44 . 1 1 3 3 A C5' C 13 67.05 . . 1 . . . . 3 A C5' . 17106 1 45 . 1 1 3 3 A C8 C 13 139 . . 1 . . . . 3 A C8 . 17106 1 46 . 1 1 3 3 A N1 N 15 221.8 . . 1 . . . . 3 A N1 . 17106 1 47 . 1 1 3 3 A N3 N 15 216.3 . . 1 . . . . 3 A N3 . 17106 1 48 . 1 1 3 3 A N6 N 15 81.5 . . 1 . . . . 3 A N6 . 17106 1 49 . 1 1 3 3 A N7 N 15 230.5 . . 1 . . . . 3 A N7 . 17106 1 50 . 1 1 4 4 G H1 H 1 12.48 . . 1 . . . . 4 G H1 . 17106 1 51 . 1 1 4 4 G H1' H 1 5.82 . . 1 . . . . 4 G H1' . 17106 1 52 . 1 1 4 4 G H2' H 1 4.87 . . 1 . . . . 4 G H2' . 17106 1 53 . 1 1 4 4 G H3' H 1 4.58 . . 1 . . . . 4 G H3' . 17106 1 54 . 1 1 4 4 G H4' H 1 4.6 . . 1 . . . . 4 G H4' . 17106 1 55 . 1 1 4 4 G H5' H 1 4.47 . . 1 . . . . 4 G H5' . 17106 1 56 . 1 1 4 4 G H5'' H 1 4.35 . . 1 . . . . 4 G H5'' . 17106 1 57 . 1 1 4 4 G H8 H 1 7.36 . . 1 . . . . 4 G H8 . 17106 1 58 . 1 1 4 4 G H21 H 1 7.69 . . 1 . . . . 4 G H21 . 17106 1 59 . 1 1 4 4 G H22 H 1 5.64 . . 1 . . . . 4 G H22 . 17106 1 60 . 1 1 4 4 G C1' C 13 94.51 . . 1 . . . . 4 G C1' . 17106 1 61 . 1 1 4 4 G C2' C 13 75 . . 1 . . . . 4 G C2' . 17106 1 62 . 1 1 4 4 G C3' C 13 73.18 . . 1 . . . . 4 G C3' . 17106 1 63 . 1 1 4 4 G C4' C 13 82.96 . . 1 . . . . 4 G C4' . 17106 1 64 . 1 1 4 4 G C5' C 13 67.33 . . 1 . . . . 4 G C5' . 17106 1 65 . 1 1 4 4 G C8 C 13 133.7 . . 1 . . . . 4 G C8 . 17106 1 66 . 1 1 4 4 G N1 N 15 146.6 . . 1 . . . . 4 G N1 . 17106 1 67 . 1 1 4 4 G N2 N 15 75.53 . . 1 . . . . 4 G N2 . 17106 1 68 . 1 1 5 5 A H1' H 1 5.86 . . 1 . . . . 5 A H1' . 17106 1 69 . 1 1 5 5 A H2 H 1 7.43 . . 1 . . . . 5 A H2 . 17106 1 70 . 1 1 5 5 A H2' H 1 4.98 . . 1 . . . . 5 A H2' . 17106 1 71 . 1 1 5 5 A H3' H 1 4.93 . . 1 . . . . 5 A H3' . 17106 1 72 . 1 1 5 5 A H4' H 1 4.65 . . 1 . . . . 5 A H4' . 17106 1 73 . 1 1 5 5 A H5' H 1 4.89 . . 1 . . . . 5 A H5' . 17106 1 74 . 1 1 5 5 A H5'' H 1 4.31 . . 1 . . . . 5 A H5'' . 17106 1 75 . 1 1 5 5 A H8 H 1 8 . . 1 . . . . 5 A H8 . 17106 1 76 . 1 1 5 5 A H61 H 1 6.75 . . 2 . . . . 5 A H61 . 17106 1 77 . 1 1 5 5 A C1' C 13 94.04 . . 1 . . . . 5 A C1' . 17106 1 78 . 1 1 5 5 A C2 C 13 151.4 . . 1 . . . . 5 A C2 . 17106 1 79 . 1 1 5 5 A C2' C 13 75.79 . . 1 . . . . 5 A C2' . 17106 1 80 . 1 1 5 5 A C3' C 13 72.01 . . 1 . . . . 5 A C3' . 17106 1 81 . 1 1 5 5 A C4' C 13 81.99 . . 1 . . . . 5 A C4' . 17106 1 82 . 1 1 5 5 A C5' C 13 64.57 . . 1 . . . . 5 A C5' . 17106 1 83 . 1 1 5 5 A C8 C 13 136.8 . . 1 . . . . 5 A C8 . 17106 1 84 . 1 1 5 5 A N1 N 15 221.8 . . 1 . . . . 5 A N1 . 17106 1 85 . 1 1 5 5 A N3 N 15 216.3 . . 1 . . . . 5 A N3 . 17106 1 86 . 1 1 5 5 A N6 N 15 82.21 . . 1 . . . . 5 A N6 . 17106 1 87 . 1 1 5 5 A N7 N 15 230 . . 1 . . . . 5 A N7 . 17106 1 88 . 1 1 6 6 G H1 H 1 12.75 . . 1 . . . . 6 G H1 . 17106 1 89 . 1 1 6 6 G H1' H 1 4.76 . . 1 . . . . 6 G H1' . 17106 1 90 . 1 1 6 6 G H2' H 1 4.45 . . 1 . . . . 6 G H2' . 17106 1 91 . 1 1 6 6 G H3' H 1 4.2 . . 1 . . . . 6 G H3' . 17106 1 92 . 1 1 6 6 G H4' H 1 4.56 . . 1 . . . . 6 G H4' . 17106 1 93 . 1 1 6 6 G H5' H 1 4.41 . . 1 . . . . 6 G H5' . 17106 1 94 . 1 1 6 6 G H5'' H 1 4.16 . . 1 . . . . 6 G H5'' . 17106 1 95 . 1 1 6 6 G H8 H 1 6.92 . . 1 . . . . 6 G H8 . 17106 1 96 . 1 1 6 6 G H21 H 1 8.13 . . 1 . . . . 6 G H21 . 17106 1 97 . 1 1 6 6 G H22 H 1 6.14 . . 1 . . . . 6 G H22 . 17106 1 98 . 1 1 6 6 G C1' C 13 92.75 . . 1 . . . . 6 G C1' . 17106 1 99 . 1 1 6 6 G C2' C 13 74.49 . . 1 . . . . 6 G C2' . 17106 1 100 . 1 1 6 6 G C3' C 13 73.51 . . 1 . . . . 6 G C3' . 17106 1 101 . 1 1 6 6 G C4' C 13 81.77 . . 1 . . . . 6 G C4' . 17106 1 102 . 1 1 6 6 G C5' C 13 67.47 . . 1 . . . . 6 G C5' . 17106 1 103 . 1 1 6 6 G C8 C 13 133.0 . . 1 . . . . 6 G C8 . 17106 1 104 . 1 1 6 6 G N1 N 15 147.3 . . 1 . . . . 6 G N1 . 17106 1 105 . 1 1 6 6 G N2 N 15 74.74 . . 1 . . . . 6 G N2 . 17106 1 106 . 1 1 7 7 G H1 H 1 12.5 . . 1 . . . . 7 G H1 . 17106 1 107 . 1 1 7 7 G H1' H 1 5.84 . . 1 . . . . 7 G H1' . 17106 1 108 . 1 1 7 7 G H2' H 1 4.05 . . 1 . . . . 7 G H2' . 17106 1 109 . 1 1 7 7 G H3' H 1 4.79 . . 1 . . . . 7 G H3' . 17106 1 110 . 1 1 7 7 G H4' H 1 4.5 . . 1 . . . . 7 G H4' . 17106 1 111 . 1 1 7 7 G H5' H 1 4.57 . . 1 . . . . 7 G H5' . 17106 1 112 . 1 1 7 7 G H5'' H 1 4.25 . . 1 . . . . 7 G H5'' . 17106 1 113 . 1 1 7 7 G H8 H 1 7.39 . . 1 . . . . 7 G H8 . 17106 1 114 . 1 1 7 7 G H21 H 1 8.76 . . 1 . . . . 7 G H21 . 17106 1 115 . 1 1 7 7 G H22 H 1 7.45 . . 1 . . . . 7 G H22 . 17106 1 116 . 1 1 7 7 G C1' C 13 91.07 . . 1 . . . . 7 G C1' . 17106 1 117 . 1 1 7 7 G C2' C 13 77.29 . . 1 . . . . 7 G C2' . 17106 1 118 . 1 1 7 7 G C3' C 13 73.54 . . 1 . . . . 7 G C3' . 17106 1 119 . 1 1 7 7 G C4' C 13 82.39 . . 1 . . . . 7 G C4' . 17106 1 120 . 1 1 7 7 G C5' C 13 64.83 . . 1 . . . . 7 G C5' . 17106 1 121 . 1 1 7 7 G C8 C 13 134.6 . . 1 . . . . 7 G C8 . 17106 1 122 . 1 1 7 7 G N1 N 15 148.2 . . 1 . . . . 7 G N1 . 17106 1 123 . 1 1 7 7 G N2 N 15 81.06 . . 1 . . . . 7 G N2 . 17106 1 124 . 1 1 8 8 U H1' H 1 5.32 . . 1 . . . . 8 U H1' . 17106 1 125 . 1 1 8 8 U H2' H 1 3.97 . . 1 . . . . 8 U H2' . 17106 1 126 . 1 1 8 8 U H3 H 1 13.11 . . 1 . . . . 8 U H3 . 17106 1 127 . 1 1 8 8 U H3' H 1 4.43 . . 1 . . . . 8 U H3' . 17106 1 128 . 1 1 8 8 U H4' H 1 4.41 . . 1 . . . . 8 U H4' . 17106 1 129 . 1 1 8 8 U H5 H 1 5.34 . . 1 . . . . 8 U H5 . 17106 1 130 . 1 1 8 8 U H5' H 1 4.54 . . 1 . . . . 8 U H5' . 17106 1 131 . 1 1 8 8 U H5'' H 1 4.18 . . 1 . . . . 8 U H5'' . 17106 1 132 . 1 1 8 8 U H6 H 1 7.92 . . 1 . . . . 8 U H6 . 17106 1 133 . 1 1 8 8 U C1' C 13 92.9 . . 1 . . . . 8 U C1' . 17106 1 134 . 1 1 8 8 U C2' C 13 75.86 . . 1 . . . . 8 U C2' . 17106 1 135 . 1 1 8 8 U C3' C 13 72.24 . . 1 . . . . 8 U C3' . 17106 1 136 . 1 1 8 8 U C4' C 13 81.74 . . 1 . . . . 8 U C4' . 17106 1 137 . 1 1 8 8 U C5 C 13 103.8 . . 1 . . . . 8 U C5 . 17106 1 138 . 1 1 8 8 U C5' C 13 64.66 . . 1 . . . . 8 U C5' . 17106 1 139 . 1 1 8 8 U C6 C 13 138.9 . . 1 . . . . 8 U C6 . 17106 1 140 . 1 1 8 8 U N3 N 15 161.3 . . 1 . . . . 8 U N3 . 17106 1 141 . 1 1 9 9 U H1' H 1 6.09 . . 1 . . . . 9 U H1' . 17106 1 142 . 1 1 9 9 U H2' H 1 4.33 . . 1 . . . . 9 U H2' . 17106 1 143 . 1 1 9 9 U H3' H 1 4.39 . . 1 . . . . 9 U H3' . 17106 1 144 . 1 1 9 9 U H4' H 1 4.35 . . 1 . . . . 9 U H4' . 17106 1 145 . 1 1 9 9 U H5 H 1 5.59 . . 1 . . . . 9 U H5 . 17106 1 146 . 1 1 9 9 U H5' H 1 4.56 . . 1 . . . . 9 U H5' . 17106 1 147 . 1 1 9 9 U H5'' H 1 4.14 . . 1 . . . . 9 U H5'' . 17106 1 148 . 1 1 9 9 U H6 H 1 7.91 . . 1 . . . . 9 U H6 . 17106 1 149 . 1 1 9 9 U C1' C 13 92.9 . . 1 . . . . 9 U C1' . 17106 1 150 . 1 1 9 9 U C2' C 13 75.86 . . 1 . . . . 9 U C2' . 17106 1 151 . 1 1 9 9 U C3' C 13 72.24 . . 1 . . . . 9 U C3' . 17106 1 152 . 1 1 9 9 U C4' C 13 81.74 . . 1 . . . . 9 U C4' . 17106 1 153 . 1 1 9 9 U C5 C 13 102.7 . . 1 . . . . 9 U C5 . 17106 1 154 . 1 1 9 9 U C5' C 13 64.53 . . 1 . . . . 9 U C5' . 17106 1 155 . 1 1 9 9 U C6 C 13 141.3 . . 1 . . . . 9 U C6 . 17106 1 156 . 1 1 10 10 C H1' H 1 6.1 . . 1 . . . . 10 C H1' . 17106 1 157 . 1 1 10 10 C H2' H 1 4.17 . . 1 . . . . 10 C H2' . 17106 1 158 . 1 1 10 10 C H3' H 1 4.78 . . 1 . . . . 10 C H3' . 17106 1 159 . 1 1 10 10 C H4' H 1 4.84 . . 1 . . . . 10 C H4' . 17106 1 160 . 1 1 10 10 C H5 H 1 5.96 . . 1 . . . . 10 C H5 . 17106 1 161 . 1 1 10 10 C H6 H 1 8.28 . . 1 . . . . 10 C H6 . 17106 1 162 . 1 1 10 10 C C5 C 13 98.16 . . 1 . . . . 10 C C5 . 17106 1 163 . 1 1 10 10 C C6 C 13 142.2 . . 1 . . . . 10 C C6 . 17106 1 164 . 1 1 11 11 U H1' H 1 5.49 . . 1 . . . . 11 U H1' . 17106 1 165 . 1 1 11 11 U H2' H 1 4.88 . . 1 . . . . 11 U H2' . 17106 1 166 . 1 1 11 11 U H3' H 1 4.83 . . 1 . . . . 11 U H3' . 17106 1 167 . 1 1 11 11 U H4' H 1 4.49 . . 1 . . . . 11 U H4' . 17106 1 168 . 1 1 11 11 U H5 H 1 5.79 . . 1 . . . . 11 U H5 . 17106 1 169 . 1 1 11 11 U H5' H 1 4.56 . . 1 . . . . 11 U H5' . 17106 1 170 . 1 1 11 11 U H5'' H 1 4.22 . . 1 . . . . 11 U H5'' . 17106 1 171 . 1 1 11 11 U H6 H 1 8.29 . . 1 . . . . 11 U H6 . 17106 1 172 . 1 1 11 11 U C1' C 13 94.91 . . 1 . . . . 11 U C1' . 17106 1 173 . 1 1 11 11 U C2' C 13 75.06 . . 1 . . . . 11 U C2' . 17106 1 174 . 1 1 11 11 U C3' C 13 72.16 . . 1 . . . . 11 U C3' . 17106 1 175 . 1 1 11 11 U C4' C 13 83.52 . . 1 . . . . 11 U C4' . 17106 1 176 . 1 1 11 11 U C5 C 13 103 . . 1 . . . . 11 U C5 . 17106 1 177 . 1 1 11 11 U C5' C 13 63.08 . . 1 . . . . 11 U C5' . 17106 1 178 . 1 1 11 11 U C6 C 13 142 . . 1 . . . . 11 U C6 . 17106 1 179 . 1 1 12 12 A H1' H 1 5.88 . . 1 . . . . 12 A H1' . 17106 1 180 . 1 1 12 12 A H2 H 1 6.69 . . 1 . . . . 12 A H2 . 17106 1 181 . 1 1 12 12 A H2' H 1 4.6 . . 1 . . . . 12 A H2' . 17106 1 182 . 1 1 12 12 A H3' H 1 4.68 . . 1 . . . . 12 A H3' . 17106 1 183 . 1 1 12 12 A H4' H 1 4.54 . . 1 . . . . 12 A H4' . 17106 1 184 . 1 1 12 12 A H5' H 1 4.55 . . 1 . . . . 12 A H5' . 17106 1 185 . 1 1 12 12 A H5'' H 1 4.19 . . 1 . . . . 12 A H5'' . 17106 1 186 . 1 1 12 12 A H8 H 1 7.95 . . 1 . . . . 12 A H8 . 17106 1 187 . 1 1 12 12 A C1' C 13 93.11 . . 1 . . . . 12 A C1' . 17106 1 188 . 1 1 12 12 A C2 C 13 150.7 . . 1 . . . . 12 A C2 . 17106 1 189 . 1 1 12 12 A C2' C 13 75.61 . . 1 . . . . 12 A C2' . 17106 1 190 . 1 1 12 12 A C3' C 13 72.64 . . 1 . . . . 12 A C3' . 17106 1 191 . 1 1 12 12 A C4' C 13 81.84 . . 1 . . . . 12 A C4' . 17106 1 192 . 1 1 12 12 A C5' C 13 65.04 . . 1 . . . . 12 A C5' . 17106 1 193 . 1 1 12 12 A C8 C 13 137.2 . . 1 . . . . 12 A C8 . 17106 1 194 . 1 1 12 12 A N1 N 15 218.7 . . 1 . . . . 12 A N1 . 17106 1 195 . 1 1 12 12 A N3 N 15 211.3 . . 1 . . . . 12 A N3 . 17106 1 196 . 1 1 12 12 A N6 N 15 85.86 . . 1 . . . . 12 A N6 . 17106 1 197 . 1 1 12 12 A N7 N 15 233.1 . . 1 . . . . 12 A N7 . 17106 1 198 . 1 1 13 13 G H1 H 1 13.28 . . 1 . . . . 13 G H1 . 17106 1 199 . 1 1 13 13 G H1' H 1 5.82 . . 1 . . . . 13 G H1' . 17106 1 200 . 1 1 13 13 G H2' H 1 4.67 . . 1 . . . . 13 G H2' . 17106 1 201 . 1 1 13 13 G H3' H 1 4.69 . . 1 . . . . 13 G H3' . 17106 1 202 . 1 1 13 13 G H4' H 1 4.54 . . 1 . . . . 13 G H4' . 17106 1 203 . 1 1 13 13 G H5' H 1 4.69 . . 1 . . . . 13 G H5' . 17106 1 204 . 1 1 13 13 G H5'' H 1 4.25 . . 1 . . . . 13 G H5'' . 17106 1 205 . 1 1 13 13 G H8 H 1 7.48 . . 1 . . . . 13 G H8 . 17106 1 206 . 1 1 13 13 G H21 H 1 8.12 . . 1 . . . . 13 G H21 . 17106 1 207 . 1 1 13 13 G H22 H 1 7.71 . . 1 . . . . 13 G H22 . 17106 1 208 . 1 1 13 13 G C1' C 13 90.89 . . 1 . . . . 13 G C1' . 17106 1 209 . 1 1 13 13 G C2' C 13 76.57 . . 1 . . . . 13 G C2' . 17106 1 210 . 1 1 13 13 G C3' C 13 73.2 . . 1 . . . . 13 G C3' . 17106 1 211 . 1 1 13 13 G C4' C 13 82.01 . . 1 . . . . 13 G C4' . 17106 1 212 . 1 1 13 13 G C5' C 13 64.72 . . 1 . . . . 13 G C5' . 17106 1 213 . 1 1 13 13 G C8 C 13 133 . . 1 . . . . 13 G C8 . 17106 1 214 . 1 1 13 13 G N1 N 15 148.8 . . 1 . . . . 13 G N1 . 17106 1 215 . 1 1 13 13 G N2 N 15 78.35 . . 1 . . . . 13 G N2 . 17106 1 216 . 1 1 14 14 U H1' H 1 6.04 . . 1 . . . . 14 U H1' . 17106 1 217 . 1 1 14 14 U H2' H 1 4.56 . . 1 . . . . 14 U H2' . 17106 1 218 . 1 1 14 14 U H3' H 1 4.7 . . 1 . . . . 14 U H3' . 17106 1 219 . 1 1 14 14 U H4' H 1 4.54 . . 1 . . . . 14 U H4' . 17106 1 220 . 1 1 14 14 U H5 H 1 6.01 . . 1 . . . . 14 U H5 . 17106 1 221 . 1 1 14 14 U H5' H 1 4.3 . . 1 . . . . 14 U H5' . 17106 1 222 . 1 1 14 14 U H5'' H 1 4.19 . . 1 . . . . 14 U H5'' . 17106 1 223 . 1 1 14 14 U H6 H 1 7.85 . . 1 . . . . 14 U H6 . 17106 1 224 . 1 1 14 14 U C1' C 13 90.81 . . 1 . . . . 14 U C1' . 17106 1 225 . 1 1 14 14 U C2' C 13 75.22 . . 1 . . . . 14 U C2' . 17106 1 226 . 1 1 14 14 U C3' C 13 77.3 . . 1 . . . . 14 U C3' . 17106 1 227 . 1 1 14 14 U C4' C 13 85.29 . . 1 . . . . 14 U C4' . 17106 1 228 . 1 1 14 14 U C5 C 13 106.4 . . 1 . . . . 14 U C5 . 17106 1 229 . 1 1 14 14 U C5' C 13 68.8 . . 1 . . . . 14 U C5' . 17106 1 230 . 1 1 14 14 U C6 C 13 141.8 . . 1 . . . . 14 U C6 . 17106 1 231 . 1 1 15 15 U H1' H 1 6.03 . . 1 . . . . 15 U H1' . 17106 1 232 . 1 1 15 15 U H2' H 1 4.6 . . 1 . . . . 15 U H2' . 17106 1 233 . 1 1 15 15 U H3' H 1 4.84 . . 1 . . . . 15 U H3' . 17106 1 234 . 1 1 15 15 U H4' H 1 4.56 . . 1 . . . . 15 U H4' . 17106 1 235 . 1 1 15 15 U H5 H 1 5.94 . . 1 . . . . 15 U H5 . 17106 1 236 . 1 1 15 15 U H5' H 1 4.34 . . 1 . . . . 15 U H5' . 17106 1 237 . 1 1 15 15 U H5'' H 1 4.26 . . 1 . . . . 15 U H5'' . 17106 1 238 . 1 1 15 15 U H6 H 1 7.93 . . 1 . . . . 15 U H6 . 17106 1 239 . 1 1 15 15 U C1' C 13 92.28 . . 1 . . . . 15 U C1' . 17106 1 240 . 1 1 15 15 U C2' C 13 75.34 . . 1 . . . . 15 U C2' . 17106 1 241 . 1 1 15 15 U C3' C 13 76.86 . . 1 . . . . 15 U C3' . 17106 1 242 . 1 1 15 15 U C4' C 13 85.66 . . 1 . . . . 15 U C4' . 17106 1 243 . 1 1 15 15 U C5 C 13 105.4 . . 1 . . . . 15 U C5 . 17106 1 244 . 1 1 15 15 U C5' C 13 67.82 . . 1 . . . . 15 U C5' . 17106 1 245 . 1 1 15 15 U C6 C 13 142.8 . . 1 . . . . 15 U C6 . 17106 1 246 . 1 1 16 16 A H1' H 1 6 . . 1 . . . . 16 A H1' . 17106 1 247 . 1 1 16 16 A H2 H 1 7.58 . . 1 . . . . 16 A H2 . 17106 1 248 . 1 1 16 16 A H2' H 1 4.97 . . 1 . . . . 16 A H2' . 17106 1 249 . 1 1 16 16 A H3' H 1 4.89 . . 1 . . . . 16 A H3' . 17106 1 250 . 1 1 16 16 A H4' H 1 4.59 . . 1 . . . . 16 A H4' . 17106 1 251 . 1 1 16 16 A H5' H 1 4.3 . . 1 . . . . 16 A H5' . 17106 1 252 . 1 1 16 16 A H5'' H 1 4.15 . . 1 . . . . 16 A H5'' . 17106 1 253 . 1 1 16 16 A H8 H 1 8.54 . . 1 . . . . 16 A H8 . 17106 1 254 . 1 1 16 16 A H61 H 1 7.1 . . 2 . . . . 16 A H61 . 17106 1 255 . 1 1 16 16 A C1' C 13 88.55 . . 1 . . . . 16 A C1' . 17106 1 256 . 1 1 16 16 A C2 C 13 151.4 . . 1 . . . . 16 A C2 . 17106 1 257 . 1 1 16 16 A C2' C 13 76.5 . . 1 . . . . 16 A C2' . 17106 1 258 . 1 1 16 16 A C3' C 13 78.99 . . 1 . . . . 16 A C3' . 17106 1 259 . 1 1 16 16 A C4' C 13 87.27 . . 1 . . . . 16 A C4' . 17106 1 260 . 1 1 16 16 A C5' C 13 68.34 . . 1 . . . . 16 A C5' . 17106 1 261 . 1 1 16 16 A C8 C 13 140 . . 1 . . . . 16 A C8 . 17106 1 262 . 1 1 16 16 A N1 N 15 223 . . 1 . . . . 16 A N1 . 17106 1 263 . 1 1 16 16 A N3 N 15 213.6 . . 1 . . . . 16 A N3 . 17106 1 264 . 1 1 16 16 A N6 N 15 79.64 . . 1 . . . . 16 A N6 . 17106 1 265 . 1 1 16 16 A N7 N 15 235.4 . . 1 . . . . 16 A N7 . 17106 1 266 . 1 1 17 17 U H1' H 1 5.95 . . 1 . . . . 17 U H1' . 17106 1 267 . 1 1 17 17 U H2' H 1 4.55 . . 1 . . . . 17 U H2' . 17106 1 268 . 1 1 17 17 U H3' H 1 4.72 . . 1 . . . . 17 U H3' . 17106 1 269 . 1 1 17 17 U H4' H 1 4.61 . . 1 . . . . 17 U H4' . 17106 1 270 . 1 1 17 17 U H5 H 1 5.95 . . 1 . . . . 17 U H5 . 17106 1 271 . 1 1 17 17 U H5' H 1 4.44 . . 1 . . . . 17 U H5' . 17106 1 272 . 1 1 17 17 U H5'' H 1 4.24 . . 1 . . . . 17 U H5'' . 17106 1 273 . 1 1 17 17 U H6 H 1 7.88 . . 1 . . . . 17 U H6 . 17106 1 274 . 1 1 17 17 U C1' C 13 92.83 . . 1 . . . . 17 U C1' . 17106 1 275 . 1 1 17 17 U C2' C 13 75.79 . . 1 . . . . 17 U C2' . 17106 1 276 . 1 1 17 17 U C3' C 13 76.64 . . 1 . . . . 17 U C3' . 17106 1 277 . 1 1 17 17 U C4' C 13 84.54 . . 1 . . . . 17 U C4' . 17106 1 278 . 1 1 17 17 U C5 C 13 105.4 . . 1 . . . . 17 U C5 . 17106 1 279 . 1 1 17 17 U C5' C 13 68.35 . . 1 . . . . 17 U C5' . 17106 1 280 . 1 1 17 17 U C6 C 13 142.2 . . 1 . . . . 17 U C6 . 17106 1 281 . 1 1 18 18 A H1' H 1 6.11 . . 1 . . . . 18 A H1' . 17106 1 282 . 1 1 18 18 A H2 H 1 8.12 . . 1 . . . . 18 A H2 . 17106 1 283 . 1 1 18 18 A H2' H 1 4.98 . . 1 . . . . 18 A H2' . 17106 1 284 . 1 1 18 18 A H3' H 1 4.41 . . 1 . . . . 18 A H3' . 17106 1 285 . 1 1 18 18 A H4' H 1 4.66 . . 1 . . . . 18 A H4' . 17106 1 286 . 1 1 18 18 A H5' H 1 4.51 . . 1 . . . . 18 A H5' . 17106 1 287 . 1 1 18 18 A H5'' H 1 4.3 . . 1 . . . . 18 A H5'' . 17106 1 288 . 1 1 18 18 A H8 H 1 8.11 . . 1 . . . . 18 A H8 . 17106 1 289 . 1 1 18 18 A H61 H 1 9.37 . . 2 . . . . 18 A H61 . 17106 1 290 . 1 1 18 18 A C1' C 13 93.76 . . 1 . . . . 18 A C1' . 17106 1 291 . 1 1 18 18 A C2 C 13 152.4 . . 1 . . . . 18 A C2 . 17106 1 292 . 1 1 18 18 A C2' C 13 75.35 . . 1 . . . . 18 A C2' . 17106 1 293 . 1 1 18 18 A C3' C 13 73.73 . . 1 . . . . 18 A C3' . 17106 1 294 . 1 1 18 18 A C4' C 13 83.23 . . 1 . . . . 18 A C4' . 17106 1 295 . 1 1 18 18 A C5' C 13 66.87 . . 1 . . . . 18 A C5' . 17106 1 296 . 1 1 18 18 A C8 C 13 137.9 . . 1 . . . . 18 A C8 . 17106 1 297 . 1 1 18 18 A N1 N 15 228.9 . . 1 . . . . 18 A N1 . 17106 1 298 . 1 1 18 18 A N3 N 15 212.9 . . 1 . . . . 18 A N3 . 17106 1 299 . 1 1 18 18 A N6 N 15 87.3 . . 1 . . . . 18 A N6 . 17106 1 300 . 1 1 18 18 A N7 N 15 226.3 . . 1 . . . . 18 A N7 . 17106 1 301 . 1 1 19 19 C H1' H 1 5.4 . . 1 . . . . 19 C H1' . 17106 1 302 . 1 1 19 19 C H2' H 1 4.35 . . 1 . . . . 19 C H2' . 17106 1 303 . 1 1 19 19 C H3' H 1 4.35 . . 1 . . . . 19 C H3' . 17106 1 304 . 1 1 19 19 C H4' H 1 4.54 . . 1 . . . . 19 C H4' . 17106 1 305 . 1 1 19 19 C H5 H 1 5.37 . . 1 . . . . 19 C H5 . 17106 1 306 . 1 1 19 19 C H5' H 1 4.08 . . 1 . . . . 19 C H5' . 17106 1 307 . 1 1 19 19 C H5'' H 1 4.48 . . 1 . . . . 19 C H5'' . 17106 1 308 . 1 1 19 19 C H6 H 1 7.11 . . 1 . . . . 19 C H6 . 17106 1 309 . 1 1 19 19 C H41 H 1 8.72 . . 1 . . . . 19 C H41 . 17106 1 310 . 1 1 19 19 C H42 H 1 6.91 . . 1 . . . . 19 C H42 . 17106 1 311 . 1 1 19 19 C C1' C 13 93.88 . . 1 . . . . 19 C C1' . 17106 1 312 . 1 1 19 19 C C2' C 13 75.61 . . 1 . . . . 19 C C2' . 17106 1 313 . 1 1 19 19 C C3' C 13 72.14 . . 1 . . . . 19 C C3' . 17106 1 314 . 1 1 19 19 C C4' C 13 81.85 . . 1 . . . . 19 C C4' . 17106 1 315 . 1 1 19 19 C C5 C 13 97.06 . . 1 . . . . 19 C C5 . 17106 1 316 . 1 1 19 19 C C5' C 13 64.55 . . 1 . . . . 19 C C5' . 17106 1 317 . 1 1 19 19 C C6 C 13 137.6 . . 1 . . . . 19 C C6 . 17106 1 318 . 1 1 19 19 C N4 N 15 95.89 . . 1 . . . . 19 C N4 . 17106 1 319 . 1 1 20 20 C H1' H 1 6.11 . . 1 . . . . 20 C H1' . 17106 1 320 . 1 1 20 20 C H2' H 1 5.01 . . 1 . . . . 20 C H2' . 17106 1 321 . 1 1 20 20 C H3' H 1 4.61 . . 1 . . . . 20 C H3' . 17106 1 322 . 1 1 20 20 C H4' H 1 4.74 . . 1 . . . . 20 C H4' . 17106 1 323 . 1 1 20 20 C H5 H 1 5.43 . . 1 . . . . 20 C H5 . 17106 1 324 . 1 1 20 20 C H5' H 1 4.8 . . 1 . . . . 20 C H5' . 17106 1 325 . 1 1 20 20 C H5'' H 1 4.22 . . 1 . . . . 20 C H5'' . 17106 1 326 . 1 1 20 20 C H6 H 1 7.8 . . 1 . . . . 20 C H6 . 17106 1 327 . 1 1 20 20 C H41 H 1 8.03 . . 1 . . . . 20 C H41 . 17106 1 328 . 1 1 20 20 C H42 H 1 6.5 . . 1 . . . . 20 C H42 . 17106 1 329 . 1 1 20 20 C C1' C 13 94.68 . . 1 . . . . 20 C C1' . 17106 1 330 . 1 1 20 20 C C2' C 13 74.2 . . 1 . . . . 20 C C2' . 17106 1 331 . 1 1 20 20 C C3' C 13 71.75 . . 1 . . . . 20 C C3' . 17106 1 332 . 1 1 20 20 C C4' C 13 82.54 . . 1 . . . . 20 C C4' . 17106 1 333 . 1 1 20 20 C C5 C 13 97.16 . . 1 . . . . 20 C C5 . 17106 1 334 . 1 1 20 20 C C5' C 13 63.83 . . 1 . . . . 20 C C5' . 17106 1 335 . 1 1 20 20 C C6 C 13 139.5 . . 1 . . . . 20 C C6 . 17106 1 336 . 1 1 20 20 C N3 N 15 199.2 . . 1 . . . . 20 C N3 . 17106 1 337 . 1 1 20 20 C N4 N 15 94.8 . . 1 . . . . 20 C N4 . 17106 1 338 . 1 1 21 21 C H1' H 1 5.67 . . 1 . . . . 21 C H1' . 17106 1 339 . 1 1 21 21 C H2' H 1 4.78 . . 1 . . . . 21 C H2' . 17106 1 340 . 1 1 21 21 C H3' H 1 4.46 . . 1 . . . . 21 C H3' . 17106 1 341 . 1 1 21 21 C H4' H 1 4.18 . . 1 . . . . 21 C H4' . 17106 1 342 . 1 1 21 21 C H5 H 1 5.48 . . 1 . . . . 21 C H5 . 17106 1 343 . 1 1 21 21 C H5' H 1 4.75 . . 1 . . . . 21 C H5' . 17106 1 344 . 1 1 21 21 C H5'' H 1 4.06 . . 1 . . . . 21 C H5'' . 17106 1 345 . 1 1 21 21 C H6 H 1 8.06 . . 1 . . . . 21 C H6 . 17106 1 346 . 1 1 21 21 C H41 H 1 8.5 . . 1 . . . . 21 C H41 . 17106 1 347 . 1 1 21 21 C H42 H 1 6.9 . . 1 . . . . 21 C H42 . 17106 1 348 . 1 1 21 21 C C1' C 13 94.35 . . 1 . . . . 21 C C1' . 17106 1 349 . 1 1 21 21 C C2' C 13 73.73 . . 1 . . . . 21 C C2' . 17106 1 350 . 1 1 21 21 C C3' C 13 71.38 . . 1 . . . . 21 C C3' . 17106 1 351 . 1 1 21 21 C C4' C 13 81.78 . . 1 . . . . 21 C C4' . 17106 1 352 . 1 1 21 21 C C5 C 13 97.01 . . 1 . . . . 21 C C5 . 17106 1 353 . 1 1 21 21 C C5' C 13 63.58 . . 1 . . . . 21 C C5' . 17106 1 354 . 1 1 21 21 C C6 C 13 140 . . 1 . . . . 21 C C6 . 17106 1 355 . 1 1 21 21 C N3 N 15 197.1 . . 1 . . . . 21 C N3 . 17106 1 356 . 1 1 21 21 C N4 N 15 96.81 . . 1 . . . . 21 C N4 . 17106 1 357 . 1 1 22 22 U H1' H 1 4.86 . . 1 . . . . 22 U H1' . 17106 1 358 . 1 1 22 22 U H2' H 1 4.42 . . 1 . . . . 22 U H2' . 17106 1 359 . 1 1 22 22 U H3 H 1 14.07 . . 1 . . . . 22 U H3 . 17106 1 360 . 1 1 22 22 U H3' H 1 4.28 . . 1 . . . . 22 U H3' . 17106 1 361 . 1 1 22 22 U H4' H 1 3.15 . . 1 . . . . 22 U H4' . 17106 1 362 . 1 1 22 22 U H5 H 1 5.37 . . 1 . . . . 22 U H5 . 17106 1 363 . 1 1 22 22 U H5' H 1 4.35 . . 1 . . . . 22 U H5' . 17106 1 364 . 1 1 22 22 U H5'' H 1 3.77 . . 1 . . . . 22 U H5'' . 17106 1 365 . 1 1 22 22 U H6 H 1 7.63 . . 1 . . . . 22 U H6 . 17106 1 366 . 1 1 22 22 U C1' C 13 95.97 . . 1 . . . . 22 U C1' . 17106 1 367 . 1 1 22 22 U C2' C 13 73.95 . . 1 . . . . 22 U C2' . 17106 1 368 . 1 1 22 22 U C3' C 13 71.99 . . 1 . . . . 22 U C3' . 17106 1 369 . 1 1 22 22 U C4' C 13 81.53 . . 1 . . . . 22 U C4' . 17106 1 370 . 1 1 22 22 U C5 C 13 103.7 . . 1 . . . . 22 U C5 . 17106 1 371 . 1 1 22 22 U C5' C 13 63.05 . . 1 . . . . 22 U C5' . 17106 1 372 . 1 1 22 22 U C6 C 13 139.4 . . 1 . . . . 22 U C6 . 17106 1 373 . 1 1 22 22 U N3 N 15 163.2 . . 1 . . . . 22 U N3 . 17106 1 374 . 1 1 23 23 C H1' H 1 5.83 . . 1 . . . . 23 C H1' . 17106 1 375 . 1 1 23 23 C H2' H 1 4.37 . . 1 . . . . 23 C H2' . 17106 1 376 . 1 1 23 23 C H3' H 1 4.49 . . 1 . . . . 23 C H3' . 17106 1 377 . 1 1 23 23 C H4' H 1 4.42 . . 1 . . . . 23 C H4' . 17106 1 378 . 1 1 23 23 C H5 H 1 5.72 . . 1 . . . . 23 C H5 . 17106 1 379 . 1 1 23 23 C H5' H 1 4.51 . . 1 . . . . 23 C H5' . 17106 1 380 . 1 1 23 23 C H5'' H 1 4.02 . . 1 . . . . 23 C H5'' . 17106 1 381 . 1 1 23 23 C H6 H 1 8.23 . . 1 . . . . 23 C H6 . 17106 1 382 . 1 1 23 23 C H41 H 1 8.15 . . 1 . . . . 23 C H41 . 17106 1 383 . 1 1 23 23 C H42 H 1 7.25 . . 1 . . . . 23 C H42 . 17106 1 384 . 1 1 23 23 C C1' C 13 93.34 . . 1 . . . . 23 C C1' . 17106 1 385 . 1 1 23 23 C C2' C 13 75.51 . . 1 . . . . 23 C C2' . 17106 1 386 . 1 1 23 23 C C3' C 13 73.42 . . 1 . . . . 23 C C3' . 17106 1 387 . 1 1 23 23 C C4' C 13 81.71 . . 1 . . . . 23 C C4' . 17106 1 388 . 1 1 23 23 C C5 C 13 97.19 . . 1 . . . . 23 C C5 . 17106 1 389 . 1 1 23 23 C C5' C 13 63.35 . . 1 . . . . 23 C C5' . 17106 1 390 . 1 1 23 23 C C6 C 13 140.9 . . 1 . . . . 23 C C6 . 17106 1 391 . 1 1 23 23 C N3 N 15 198 . . 1 . . . . 23 C N3 . 17106 1 392 . 1 1 23 23 C N4 N 15 97.52 . . 1 . . . . 23 C N4 . 17106 1 393 . 1 1 24 24 U H1' H 1 6.56 . . 1 . . . . 24 U H1' . 17106 1 394 . 1 1 24 24 U H2' H 1 4.41 . . 1 . . . . 24 U H2' . 17106 1 395 . 1 1 24 24 U H3 H 1 13.47 . . 1 . . . . 24 U H3 . 17106 1 396 . 1 1 24 24 U H3' H 1 4.74 . . 1 . . . . 24 U H3' . 17106 1 397 . 1 1 24 24 U H4' H 1 4.82 . . 1 . . . . 24 U H4' . 17106 1 398 . 1 1 24 24 U H5 H 1 5.33 . . 1 . . . . 24 U H5 . 17106 1 399 . 1 1 24 24 U H5' H 1 4.62 . . 1 . . . . 24 U H5' . 17106 1 400 . 1 1 24 24 U H5'' H 1 4.02 . . 1 . . . . 24 U H5'' . 17106 1 401 . 1 1 24 24 U H6 H 1 8.08 . . 1 . . . . 24 U H6 . 17106 1 402 . 1 1 24 24 U C1' C 13 89.48 . . 1 . . . . 24 U C1' . 17106 1 403 . 1 1 24 24 U C2' C 13 77.34 . . 1 . . . . 24 U C2' . 17106 1 404 . 1 1 24 24 U C4' C 13 80.45 . . 1 . . . . 24 U C4' . 17106 1 405 . 1 1 24 24 U C5 C 13 104.6 . . 1 . . . . 24 U C5 . 17106 1 406 . 1 1 24 24 U C5' C 13 68.08 . . 1 . . . . 24 U C5' . 17106 1 407 . 1 1 24 24 U C6 C 13 141.9 . . 1 . . . . 24 U C6 . 17106 1 408 . 1 1 24 24 U N3 N 15 161.2 . . 1 . . . . 24 U N3 . 17106 1 409 . 1 1 25 25 A H1' H 1 5.79 . . 1 . . . . 25 A H1' . 17106 1 410 . 1 1 25 25 A H2 H 1 8.35 . . 1 . . . . 25 A H2 . 17106 1 411 . 1 1 25 25 A H2' H 1 4.85 . . 1 . . . . 25 A H2' . 17106 1 412 . 1 1 25 25 A H3' H 1 4.77 . . 1 . . . . 25 A H3' . 17106 1 413 . 1 1 25 25 A H4' H 1 4.77 . . 1 . . . . 25 A H4' . 17106 1 414 . 1 1 25 25 A H5' H 1 3.93 . . 1 . . . . 25 A H5' . 17106 1 415 . 1 1 25 25 A H5'' H 1 3.63 . . 1 . . . . 25 A H5'' . 17106 1 416 . 1 1 25 25 A H8 H 1 8.66 . . 1 . . . . 25 A H8 . 17106 1 417 . 1 1 25 25 A H61 H 1 7.47 . . 2 . . . . 25 A H61 . 17106 1 418 . 1 1 25 25 A C1' C 13 88.41 . . 1 . . . . 25 A C1' . 17106 1 419 . 1 1 25 25 A C2 C 13 152.3 . . 1 . . . . 25 A C2 . 17106 1 420 . 1 1 25 25 A C2' C 13 78.13 . . 1 . . . . 25 A C2' . 17106 1 421 . 1 1 25 25 A C3' C 13 80.24 . . 1 . . . . 25 A C3' . 17106 1 422 . 1 1 25 25 A C4' C 13 83.67 . . 1 . . . . 25 A C4' . 17106 1 423 . 1 1 25 25 A C5' C 13 68.83 . . 1 . . . . 25 A C5' . 17106 1 424 . 1 1 25 25 A C8 C 13 141.1 . . 1 . . . . 25 A C8 . 17106 1 425 . 1 1 25 25 A N1 N 15 226.4 . . 1 . . . . 25 A N1 . 17106 1 426 . 1 1 25 25 A N3 N 15 217.7 . . 1 . . . . 25 A N3 . 17106 1 427 . 1 1 25 25 A N6 N 15 80.25 . . 1 . . . . 25 A N6 . 17106 1 428 . 1 1 25 25 A N7 N 15 237.1 . . 1 . . . . 25 A N7 . 17106 1 429 . 1 1 26 26 U H1' H 1 5.08 . . 1 . . . . 26 U H1' . 17106 1 430 . 1 1 26 26 U H2' H 1 2.8 . . 1 . . . . 26 U H2' . 17106 1 431 . 1 1 26 26 U H4' H 1 3.96 . . 1 . . . . 26 U H4' . 17106 1 432 . 1 1 26 26 U H5 H 1 5.21 . . 1 . . . . 26 U H5 . 17106 1 433 . 1 1 26 26 U H5' H 1 4.07 . . 1 . . . . 26 U H5' . 17106 1 434 . 1 1 26 26 U H5'' H 1 3.84 . . 1 . . . . 26 U H5'' . 17106 1 435 . 1 1 26 26 U H6 H 1 6.69 . . 1 . . . . 26 U H6 . 17106 1 436 . 1 1 26 26 U C2' C 13 73.39 . . 1 . . . . 26 U C2' . 17106 1 437 . 1 1 26 26 U C4' C 13 81.67 . . 1 . . . . 26 U C4' . 17106 1 438 . 1 1 26 26 U C5 C 13 107.4 . . 1 . . . . 26 U C5 . 17106 1 439 . 1 1 26 26 U C5' C 13 69.84 . . 1 . . . . 26 U C5' . 17106 1 440 . 1 1 26 26 U C6 C 13 140.7 . . 1 . . . . 26 U C6 . 17106 1 441 . 1 1 27 27 A H1' H 1 5.47 . . 1 . . . . 27 A H1' . 17106 1 442 . 1 1 27 27 A H2 H 1 7.11 . . 1 . . . . 27 A H2 . 17106 1 443 . 1 1 27 27 A H2' H 1 5 . . 1 . . . . 27 A H2' . 17106 1 444 . 1 1 27 27 A H3' H 1 4.86 . . 1 . . . . 27 A H3' . 17106 1 445 . 1 1 27 27 A H4' H 1 4.74 . . 1 . . . . 27 A H4' . 17106 1 446 . 1 1 27 27 A H5' H 1 4.22 . . 1 . . . . 27 A H5' . 17106 1 447 . 1 1 27 27 A H5'' H 1 4.11 . . 1 . . . . 27 A H5'' . 17106 1 448 . 1 1 27 27 A H8 H 1 8.6 . . 1 . . . . 27 A H8 . 17106 1 449 . 1 1 27 27 A H61 H 1 7.58 . . 2 . . . . 27 A H61 . 17106 1 450 . 1 1 27 27 A C1' C 13 87.01 . . 1 . . . . 27 A C1' . 17106 1 451 . 1 1 27 27 A C2 C 13 151.5 . . 1 . . . . 27 A C2 . 17106 1 452 . 1 1 27 27 A C2' C 13 74.44 . . 1 . . . . 27 A C2' . 17106 1 453 . 1 1 27 27 A C3' C 13 77.91 . . 1 . . . . 27 A C3' . 17106 1 454 . 1 1 27 27 A C4' C 13 85.73 . . 1 . . . . 27 A C4' . 17106 1 455 . 1 1 27 27 A C5' C 13 67.54 . . 1 . . . . 27 A C5' . 17106 1 456 . 1 1 27 27 A C8 C 13 139.5 . . 1 . . . . 27 A C8 . 17106 1 457 . 1 1 27 27 A N1 N 15 223.1 . . 1 . . . . 27 A N1 . 17106 1 458 . 1 1 27 27 A N3 N 15 211.7 . . 1 . . . . 27 A N3 . 17106 1 459 . 1 1 27 27 A N6 N 15 86.02 . . 1 . . . . 27 A N6 . 17106 1 460 . 1 1 27 27 A N7 N 15 229.5 . . 1 . . . . 27 A N7 . 17106 1 461 . 1 1 28 28 A H1' H 1 6.34 . . 1 . . . . 28 A H1' . 17106 1 462 . 1 1 28 28 A H2 H 1 7.73 . . 1 . . . . 28 A H2 . 17106 1 463 . 1 1 28 28 A H2' H 1 4.65 . . 1 . . . . 28 A H2' . 17106 1 464 . 1 1 28 28 A H3' H 1 4.87 . . 1 . . . . 28 A H3' . 17106 1 465 . 1 1 28 28 A H4' H 1 4.67 . . 1 . . . . 28 A H4' . 17106 1 466 . 1 1 28 28 A H5' H 1 4.44 . . 1 . . . . 28 A H5' . 17106 1 467 . 1 1 28 28 A H5'' H 1 4.34 . . 1 . . . . 28 A H5'' . 17106 1 468 . 1 1 28 28 A H8 H 1 8.55 . . 1 . . . . 28 A H8 . 17106 1 469 . 1 1 28 28 A H61 H 1 6.6 . . 2 . . . . 28 A H61 . 17106 1 470 . 1 1 28 28 A C1' C 13 88.77 . . 1 . . . . 28 A C1' . 17106 1 471 . 1 1 28 28 A C2 C 13 152.3 . . 1 . . . . 28 A C2 . 17106 1 472 . 1 1 28 28 A C2' C 13 76.09 . . 1 . . . . 28 A C2' . 17106 1 473 . 1 1 28 28 A C3' C 13 76.58 . . 1 . . . . 28 A C3' . 17106 1 474 . 1 1 28 28 A C4' C 13 85.59 . . 1 . . . . 28 A C4' . 17106 1 475 . 1 1 28 28 A C5' C 13 69.05 . . 1 . . . . 28 A C5' . 17106 1 476 . 1 1 28 28 A C8 C 13 139.2 . . 1 . . . . 28 A C8 . 17106 1 477 . 1 1 28 28 A N6 N 15 80.54 . . 1 . . . . 28 A N6 . 17106 1 478 . 1 1 29 29 A H1' H 1 5.81 . . 1 . . . . 29 A H1' . 17106 1 479 . 1 1 29 29 A H2 H 1 7.49 . . 1 . . . . 29 A H2 . 17106 1 480 . 1 1 29 29 A H2' H 1 4.82 . . 1 . . . . 29 A H2' . 17106 1 481 . 1 1 29 29 A H3' H 1 4.46 . . 1 . . . . 29 A H3' . 17106 1 482 . 1 1 29 29 A H4' H 1 4.57 . . 1 . . . . 29 A H4' . 17106 1 483 . 1 1 29 29 A H5' H 1 4.55 . . 1 . . . . 29 A H5' . 17106 1 484 . 1 1 29 29 A H5'' H 1 4.31 . . 1 . . . . 29 A H5'' . 17106 1 485 . 1 1 29 29 A H8 H 1 7.71 . . 1 . . . . 29 A H8 . 17106 1 486 . 1 1 29 29 A H61 H 1 8.41 . . 2 . . . . 29 A H61 . 17106 1 487 . 1 1 29 29 A C1' C 13 94.57 . . 1 . . . . 29 A C1' . 17106 1 488 . 1 1 29 29 A C2 C 13 150.1 . . 1 . . . . 29 A C2 . 17106 1 489 . 1 1 29 29 A C2' C 13 74.86 . . 1 . . . . 29 A C2' . 17106 1 490 . 1 1 29 29 A C3' C 13 74.14 . . 1 . . . . 29 A C3' . 17106 1 491 . 1 1 29 29 A C4' C 13 84.09 . . 1 . . . . 29 A C4' . 17106 1 492 . 1 1 29 29 A C5' C 13 68.82 . . 1 . . . . 29 A C5' . 17106 1 493 . 1 1 29 29 A C8 C 13 138.2 . . 1 . . . . 29 A C8 . 17106 1 494 . 1 1 29 29 A N1 N 15 220.5 . . 1 . . . . 29 A N1 . 17106 1 495 . 1 1 29 29 A N3 N 15 217.8 . . 1 . . . . 29 A N3 . 17106 1 496 . 1 1 29 29 A N6 N 15 79.7 . . 1 . . . . 29 A N6 . 17106 1 497 . 1 1 30 30 A H1' H 1 5.57 . . 1 . . . . 30 A H1' . 17106 1 498 . 1 1 30 30 A H2 H 1 7.73 . . 1 . . . . 30 A H2 . 17106 1 499 . 1 1 30 30 A H2' H 1 3.9 . . 1 . . . . 30 A H2' . 17106 1 500 . 1 1 30 30 A H3' H 1 4.82 . . 1 . . . . 30 A H3' . 17106 1 501 . 1 1 30 30 A H4' H 1 4.36 . . 1 . . . . 30 A H4' . 17106 1 502 . 1 1 30 30 A H5' H 1 4.54 . . 1 . . . . 30 A H5' . 17106 1 503 . 1 1 30 30 A H5'' H 1 4.13 . . 1 . . . . 30 A H5'' . 17106 1 504 . 1 1 30 30 A H8 H 1 7.7 . . 1 . . . . 30 A H8 . 17106 1 505 . 1 1 30 30 A H61 H 1 8.53 . . 1 . . . . 30 A H61 . 17106 1 506 . 1 1 30 30 A H62 H 1 6.54 . . 1 . . . . 30 A H62 . 17106 1 507 . 1 1 30 30 A C1' C 13 92.58 . . 1 . . . . 30 A C1' . 17106 1 508 . 1 1 30 30 A C2 C 13 153.7 . . 1 . . . . 30 A C2 . 17106 1 509 . 1 1 30 30 A C2' C 13 76.87 . . 1 . . . . 30 A C2' . 17106 1 510 . 1 1 30 30 A C3' C 13 73.18 . . 1 . . . . 30 A C3' . 17106 1 511 . 1 1 30 30 A C4' C 13 82.41 . . 1 . . . . 30 A C4' . 17106 1 512 . 1 1 30 30 A C5' C 13 64.61 . . 1 . . . . 30 A C5' . 17106 1 513 . 1 1 30 30 A C8 C 13 137 . . 1 . . . . 30 A C8 . 17106 1 514 . 1 1 30 30 A N1 N 15 228.1 . . 1 . . . . 30 A N1 . 17106 1 515 . 1 1 30 30 A N3 N 15 216.4 . . 1 . . . . 30 A N3 . 17106 1 516 . 1 1 30 30 A N6 N 15 83.53 . . 1 . . . . 30 A N6 . 17106 1 517 . 1 1 30 30 A N7 N 15 229.8 . . 1 . . . . 30 A N7 . 17106 1 518 . 1 1 31 31 A H1' H 1 6.1 . . 1 . . . . 31 A H1' . 17106 1 519 . 1 1 31 31 A H2 H 1 8.09 . . 1 . . . . 31 A H2 . 17106 1 520 . 1 1 31 31 A H2' H 1 5.03 . . 1 . . . . 31 A H2' . 17106 1 521 . 1 1 31 31 A H3' H 1 4.72 . . 1 . . . . 31 A H3' . 17106 1 522 . 1 1 31 31 A H4' H 1 4.56 . . 1 . . . . 31 A H4' . 17106 1 523 . 1 1 31 31 A H61 H 1 7.8 . . 1 . . . . 31 A H61 . 17106 1 524 . 1 1 31 31 A H62 H 1 7.45 . . 1 . . . . 31 A H62 . 17106 1 525 . 1 1 31 31 A C1' C 13 91.8 . . 1 . . . . 31 A C1' . 17106 1 526 . 1 1 31 31 A C3' C 13 75.9 . . 1 . . . . 31 A C3' . 17106 1 527 . 1 1 31 31 A C4' C 13 84.4 . . 1 . . . . 31 A C4' . 17106 1 528 . 1 1 31 31 A N3 N 15 221.4 . . 1 . . . . 31 A N3 . 17106 1 529 . 1 1 31 31 A N6 N 15 87.6 . . 1 . . . . 31 A N6 . 17106 1 530 . 1 1 32 32 A H1' H 1 5.89 . . 1 . . . . 32 A H1' . 17106 1 531 . 1 1 32 32 A H2 H 1 8.09 . . 1 . . . . 32 A H2 . 17106 1 532 . 1 1 32 32 A H2' H 1 4.82 . . 1 . . . . 32 A H2' . 17106 1 533 . 1 1 32 32 A H61 H 1 10.06 . . 1 . . . . 32 A H61 . 17106 1 534 . 1 1 32 32 A H62 H 1 8.07 . . 1 . . . . 32 A H62 . 17106 1 535 . 1 1 32 32 A C1' C 13 90.56 . . 1 . . . . 32 A C1' . 17106 1 536 . 1 1 32 32 A C2 C 13 152.5 . . 1 . . . . 32 A C2 . 17106 1 537 . 1 1 32 32 A N1 N 15 229.4 . . 1 . . . . 32 A N1 . 17106 1 538 . 1 1 32 32 A N3 N 15 208.3 . . 1 . . . . 32 A N3 . 17106 1 539 . 1 1 32 32 A N6 N 15 97.01 . . 1 . . . . 32 A N6 . 17106 1 540 . 1 1 33 33 C H1' H 1 5.33 . . 1 . . . . 33 C H1' . 17106 1 541 . 1 1 33 33 C H2' H 1 4.31 . . 1 . . . . 33 C H2' . 17106 1 542 . 1 1 33 33 C H3' H 1 4.4 . . 1 . . . . 33 C H3' . 17106 1 543 . 1 1 33 33 C H4' H 1 4.45 . . 1 . . . . 33 C H4' . 17106 1 544 . 1 1 33 33 C H5 H 1 5.15 . . 1 . . . . 33 C H5 . 17106 1 545 . 1 1 33 33 C H5' H 1 4.59 . . 1 . . . . 33 C H5' . 17106 1 546 . 1 1 33 33 C H5'' H 1 4.09 . . 1 . . . . 33 C H5'' . 17106 1 547 . 1 1 33 33 C H6 H 1 7.13 . . 1 . . . . 33 C H6 . 17106 1 548 . 1 1 33 33 C H41 H 1 8.26 . . 1 . . . . 33 C H41 . 17106 1 549 . 1 1 33 33 C H42 H 1 7.11 . . 1 . . . . 33 C H42 . 17106 1 550 . 1 1 33 33 C C1' C 13 94.33 . . 1 . . . . 33 C C1' . 17106 1 551 . 1 1 33 33 C C2' C 13 75.36 . . 1 . . . . 33 C C2' . 17106 1 552 . 1 1 33 33 C C3' C 13 72.72 . . 1 . . . . 33 C C3' . 17106 1 553 . 1 1 33 33 C C4' C 13 81.7 . . 1 . . . . 33 C C4' . 17106 1 554 . 1 1 33 33 C C5 C 13 97.58 . . 1 . . . . 33 C C5 . 17106 1 555 . 1 1 33 33 C C5' C 13 97.47 . . 1 . . . . 33 C C5' . 17106 1 556 . 1 1 33 33 C C6 C 13 137.2 . . 1 . . . . 33 C C6 . 17106 1 557 . 1 1 33 33 C N3 N 15 199.9 . . 1 . . . . 33 C N3 . 17106 1 558 . 1 1 33 33 C N4 N 15 104.5 . . 1 . . . . 33 C N4 . 17106 1 559 . 1 1 34 34 U H1' H 1 5.8 . . 1 . . . . 34 U H1' . 17106 1 560 . 1 1 34 34 U H2' H 1 4.77 . . 1 . . . . 34 U H2' . 17106 1 561 . 1 1 34 34 U H3 H 1 14.29 . . 1 . . . . 34 U H3 . 17106 1 562 . 1 1 34 34 U H3' H 1 4.73 . . 1 . . . . 34 U H3' . 17106 1 563 . 1 1 34 34 U H4' H 1 4.67 . . 1 . . . . 34 U H4' . 17106 1 564 . 1 1 34 34 U H5 H 1 5.43 . . 1 . . . . 34 U H5 . 17106 1 565 . 1 1 34 34 U H5' H 1 4.23 . . 2 . . . . 34 U H5' . 17106 1 566 . 1 1 34 34 U H6 H 1 8.29 . . 1 . . . . 34 U H6 . 17106 1 567 . 1 1 34 34 U C1' C 13 93.9 . . 1 . . . . 34 U C1' . 17106 1 568 . 1 1 34 34 U C2' C 13 74.36 . . 1 . . . . 34 U C2' . 17106 1 569 . 1 1 34 34 U C3' C 13 71.7 . . 1 . . . . 34 U C3' . 17106 1 570 . 1 1 34 34 U C4' C 13 82.28 . . 1 . . . . 34 U C4' . 17106 1 571 . 1 1 34 34 U C5 C 13 102.8 . . 1 . . . . 34 U C5 . 17106 1 572 . 1 1 34 34 U C5' C 13 64.53 . . 1 . . . . 34 U C5' . 17106 1 573 . 1 1 34 34 U C6 C 13 140.2 . . 1 . . . . 34 U C6 . 17106 1 574 . 1 1 35 35 A H1' H 1 5.81 . . 1 . . . . 35 A H1' . 17106 1 575 . 1 1 35 35 A H2 H 1 6.77 . . 1 . . . . 35 A H2 . 17106 1 576 . 1 1 35 35 A H2' H 1 4.28 . . 1 . . . . 35 A H2' . 17106 1 577 . 1 1 35 35 A H3' H 1 4.62 . . 1 . . . . 35 A H3' . 17106 1 578 . 1 1 35 35 A H4' H 1 3.86 . . 1 . . . . 35 A H4' . 17106 1 579 . 1 1 35 35 A H5' H 1 4.44 . . 1 . . . . 35 A H5' . 17106 1 580 . 1 1 35 35 A H5'' H 1 4 . . 1 . . . . 35 A H5'' . 17106 1 581 . 1 1 35 35 A H8 H 1 8.02 . . 1 . . . . 35 A H8 . 17106 1 582 . 1 1 35 35 A C1' C 13 92.72 . . 1 . . . . 35 A C1' . 17106 1 583 . 1 1 35 35 A C2 C 13 149.8 . . 1 . . . . 35 A C2 . 17106 1 584 . 1 1 35 35 A C2' C 13 75.82 . . 1 . . . . 35 A C2' . 17106 1 585 . 1 1 35 35 A C3' C 13 72.63 . . 1 . . . . 35 A C3' . 17106 1 586 . 1 1 35 35 A C4' C 13 81.68 . . 1 . . . . 35 A C4' . 17106 1 587 . 1 1 35 35 A C5' C 13 64.4 . . 1 . . . . 35 A C5' . 17106 1 588 . 1 1 35 35 A C8 C 13 137.4 . . 1 . . . . 35 A C8 . 17106 1 589 . 1 1 35 35 A N1 N 15 222 . . 1 . . . . 35 A N1 . 17106 1 590 . 1 1 35 35 A N3 N 15 212.2 . . 1 . . . . 35 A N3 . 17106 1 591 . 1 1 36 36 A H1' H 1 5.78 . . 1 . . . . 36 A H1' . 17106 1 592 . 1 1 36 36 A H2 H 1 7.72 . . 1 . . . . 36 A H2 . 17106 1 593 . 1 1 36 36 A H2' H 1 3.97 . . 1 . . . . 36 A H2' . 17106 1 594 . 1 1 36 36 A H3' H 1 4.21 . . 1 . . . . 36 A H3' . 17106 1 595 . 1 1 36 36 A H4' H 1 4.16 . . 1 . . . . 36 A H4' . 17106 1 596 . 1 1 36 36 A H5' H 1 4.3 . . 1 . . . . 36 A H5' . 17106 1 597 . 1 1 36 36 A H5'' H 1 3.96 . . 1 . . . . 36 A H5'' . 17106 1 598 . 1 1 36 36 A H8 H 1 7.74 . . 1 . . . . 36 A H8 . 17106 1 599 . 1 1 36 36 A C1' C 13 90.93 . . 1 . . . . 36 A C1' . 17106 1 600 . 1 1 36 36 A C2 C 13 152.7 . . 1 . . . . 36 A C2 . 17106 1 601 . 1 1 36 36 A C2' C 13 77.81 . . 1 . . . . 36 A C2' . 17106 1 602 . 1 1 36 36 A C3' C 13 70.73 . . 1 . . . . 36 A C3' . 17106 1 603 . 1 1 36 36 A C4' C 13 84.21 . . 1 . . . . 36 A C4' . 17106 1 604 . 1 1 36 36 A C5' C 13 65.78 . . 1 . . . . 36 A C5' . 17106 1 605 . 1 1 36 36 A C8 C 13 138.3 . . 1 . . . . 36 A C8 . 17106 1 606 . 1 1 36 36 A N1 N 15 226.3 . . 1 . . . . 36 A N1 . 17106 1 607 . 1 1 36 36 A N3 N 15 215.5 . . 1 . . . . 36 A N3 . 17106 1 608 . 2 2 1 1 PRF H1 H 1 13.02 . . 1 . . . . 37 Q1 H1 . 17106 1 609 . 2 2 1 1 PRF H8 H 1 5.84 . . 1 . . . . 37 Q1 H8 . 17106 1 610 . 2 2 1 1 PRF H9 H 1 11.03 . . 1 . . . . 37 Q1 H9 . 17106 1 611 . 2 2 1 1 PRF H21 H 1 8.25 . . 1 . . . . 37 Q1 H21 . 17106 1 612 . 2 2 1 1 PRF H22 H 1 7.85 . . 1 . . . . 37 Q1 H22 . 17106 1 613 . 2 2 1 1 PRF H101 H 1 3.34 . . 1 . . . . 37 Q1 H101 . 17106 1 614 . 2 2 1 1 PRF H102 H 1 3.45 . . 1 . . . . 37 Q1 H102 . 17106 1 615 . 2 2 1 1 PRF H111 H 1 7.7 . . 2 . . . . 37 Q1 H111 . 17106 1 stop_ save_