data_17379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17379 _Entry.Title ; QUI/G-quadruplex complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-23 _Entry.Accession_date 2010-12-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jixun Dai . . . 17379 2 Megan Carver . . . 17379 3 Ravi Mathad . . . 17379 4 Danzhou Yang . . . 17379 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' . 17379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'c-Myc promoter' . 17379 DNA . 17379 G-quadruplex . 17379 'NMR structure' . 17379 QUI . 17379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 208 17379 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 . . 2012-03-09 2010-12-23 update BMRB 'update entry citation' 17379 1 . . 2011-10-12 2010-12-23 original author 'original release' 17379 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7V 'BMRB Entry Tracking System' 17379 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17379 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21967482 _Citation.Full_citation . _Citation.Title 'Solution structure of a 2:1 quindoline-c-MYC G-quadruplex: insights into G-quadruplex-interactive small molecule drug design.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 133 _Citation.Journal_issue 44 _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 17673 _Citation.Page_last 17680 _Citation.Year 2011 _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 Jixun Dai . . . 17379 1 2 Megan Carver . . . 17379 1 3 Laurence Hurley . H. . 17379 1 4 Danzhou Yang . . . 17379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17379 _Assembly.ID 1 _Assembly.Name '5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', 2-CARBOXYQUINOXALINE' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') 1 $DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') A . yes native no no . . . 17379 1 2 2-CARBOXYQUINOXALINE_1 2 $QUI B . yes native no no . . . 17379 1 3 2-CARBOXYQUINOXALINE_2 2 $QUI C . yes native no no . . . 17379 1 4 'POTASSIUM ION_1' 3 $K D . yes native no no . . . 17379 1 5 'POTASSIUM ION_2' 3 $K E . yes native no no . . . 17379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') _Entity.Entry_ID 17379 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')_ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TGAGGGTGGGTAGGGTGGGT AA ; _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 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7008.566 _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 4 DT . 17379 1 2 5 DG . 17379 1 3 6 DA . 17379 1 4 7 DG . 17379 1 5 8 DG . 17379 1 6 9 DG . 17379 1 7 10 DT . 17379 1 8 11 DG . 17379 1 9 12 DG . 17379 1 10 13 DG . 17379 1 11 14 DT . 17379 1 12 15 DA . 17379 1 13 16 DG . 17379 1 14 17 DG . 17379 1 15 18 DG . 17379 1 16 19 DT . 17379 1 17 20 DG . 17379 1 18 21 DG . 17379 1 19 22 DG . 17379 1 20 23 DT . 17379 1 21 24 DA . 17379 1 22 25 DA . 17379 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 . DT 1 1 17379 1 . DG 2 2 17379 1 . DA 3 3 17379 1 . DG 4 4 17379 1 . DG 5 5 17379 1 . DG 6 6 17379 1 . DT 7 7 17379 1 . DG 8 8 17379 1 . DG 9 9 17379 1 . DG 10 10 17379 1 . DT 11 11 17379 1 . DA 12 12 17379 1 . DG 13 13 17379 1 . DG 14 14 17379 1 . DG 15 15 17379 1 . DT 16 16 17379 1 . DG 17 17 17379 1 . DG 18 18 17379 1 . DG 19 19 17379 1 . DT 20 20 17379 1 . DA 21 21 17379 1 . DA 22 22 17379 1 stop_ save_ save_QUI _Entity.Sf_category entity _Entity.Sf_framecode QUI _Entity.Entry_ID 17379 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name QUI _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 QUI _Entity.Nonpolymer_comp_label $chem_comp_QUI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . QUI . 17379 2 stop_ save_ save_K _Entity.Sf_category entity _Entity.Sf_framecode K _Entity.Entry_ID 17379 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name K _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 K _Entity.Nonpolymer_comp_label $chem_comp_K _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . K . 17379 3 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 17379 _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 $DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17379 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 17379 _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 $DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17379 1 2 2 $QUI . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17379 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_QUI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_QUI _Chem_comp.Entry_ID 17379 _Chem_comp.ID QUI _Chem_comp.Provenance . _Chem_comp.Name 2-CARBOXYQUINOXALINE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code QUI _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 QX _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code QUI _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 'C9 H6 N2 O2' _Chem_comp.Formula_weight 174.156 _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 2DA8 _Chem_comp.Processing_site EBI _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 Fri Dec 9 11:04:28 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 c1ccc2c(c1)ncc(n2)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17379 QUI c1ccc2c(c1)ncc(n2)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17379 QUI InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13) InChI InChI 1.03 17379 QUI OC(=O)c1cnc2ccccc2n1 SMILES CACTVS 3.341 17379 QUI OC(=O)c1cnc2ccccc2n1 SMILES_CANONICAL CACTVS 3.341 17379 QUI O=C(O)c1nc2ccccc2nc1 SMILES ACDLabs 10.04 17379 QUI UPUZGXILYFKSGE-UHFFFAOYSA-N InChIKey InChI 1.03 17379 QUI 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 'quinoxaline-2-carboxylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17379 QUI 'quinoxaline-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17379 QUI stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . -4.822 . -0.041 . 1.987 . 0.857 0.004 0.433 1 . 17379 QUI C2 . C2 . . C . . N 0 . . . . yes no . . . . -5.300 . 1.169 . 1.646 . -0.129 -0.000 1.313 2 . 17379 QUI C3 . C3 . . C . . N 0 . . . . yes no . . . . -5.208 . 2.245 . 2.540 . -1.471 -0.000 0.900 3 . 17379 QUI N4 . N4 . . N . . N 0 . . . . yes no . . . . -4.645 . 2.093 . 3.752 . -1.792 -0.000 -0.372 4 . 17379 QUI C5 . C5 . . C . . N 0 . . . . yes no . . . . -3.594 . 0.714 . 5.338 . -1.114 0.000 -2.670 5 . 17379 QUI C6 . C6 . . C . . N 0 . . . . yes no . . . . -3.102 . -0.535 . 5.704 . -0.092 0.000 -3.570 6 . 17379 QUI C7 . C7 . . C . . N 0 . . . . yes no . . . . -3.182 . -1.630 . 4.826 . 1.239 -0.000 -3.164 7 . 17379 QUI C8 . C8 . . C . . N 0 . . . . yes no . . . . -3.768 . -1.448 . 3.563 . 1.584 -0.001 -1.848 8 . 17379 QUI C9 . C9 . . C . . N 0 . . . . yes no . . . . -4.262 . -0.196 . 3.194 . 0.574 -0.001 -0.868 9 . 17379 QUI C10 . C10 . . C . . N 0 . . . . yes no . . . . -4.172 . 0.875 . 4.082 . -0.826 -0.000 -1.296 10 . 17379 QUI C . C . . C . . N 0 . . . . no no . . . . -5.919 . 1.292 . 0.310 . 0.185 -0.000 2.760 11 . 17379 QUI O1 . O1 . . O . . N 0 . . . . no no . . . . -6.648 . 2.257 . 0.030 . -0.712 0.000 3.577 12 . 17379 QUI O2 . O2 . . O . . N 0 . . . . no yes . . . . -5.632 . 0.298 . -0.533 . 1.468 -0.000 3.170 13 . 17379 QUI H3 . H3 . . H . . N 0 . . . . no no . . . . -5.588 . 3.207 . 2.263 . -2.254 -0.000 1.643 14 . 17379 QUI H5 . H5 . . H . . N 0 . . . . no no . . . . -3.525 . 1.539 . 6.016 . -2.139 0.000 -3.011 15 . 17379 QUI H6 . H6 . . H . . N 0 . . . . no no . . . . -2.658 . -0.657 . 6.665 . -0.321 0.001 -4.625 16 . 17379 QUI H7 . H7 . . H . . N 0 . . . . no no . . . . -2.795 . -2.585 . 5.111 . 2.017 -0.000 -3.912 17 . 17379 QUI H8 . H8 . . H . . N 0 . . . . no no . . . . -3.629 . -2.198 . 2.811 . 2.624 -0.001 -1.558 18 . 17379 QUI HO2 . HO2 . . H . . N 0 . . . . no no . . . . -6.030 . 0.377 . -1.392 . 1.674 -0.000 4.114 19 . 17379 QUI 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 N1 C2 yes N 1 . 17379 QUI 2 . SING N1 C9 yes N 2 . 17379 QUI 3 . SING C2 C3 yes N 3 . 17379 QUI 4 . SING C2 C no N 4 . 17379 QUI 5 . DOUB C3 N4 yes N 5 . 17379 QUI 6 . SING C3 H3 no N 6 . 17379 QUI 7 . SING N4 C10 yes N 7 . 17379 QUI 8 . DOUB C5 C6 yes N 8 . 17379 QUI 9 . SING C5 C10 yes N 9 . 17379 QUI 10 . SING C5 H5 no N 10 . 17379 QUI 11 . SING C6 C7 yes N 11 . 17379 QUI 12 . SING C6 H6 no N 12 . 17379 QUI 13 . DOUB C7 C8 yes N 13 . 17379 QUI 14 . SING C7 H7 no N 14 . 17379 QUI 15 . SING C8 C9 yes N 15 . 17379 QUI 16 . SING C8 H8 no N 16 . 17379 QUI 17 . DOUB C9 C10 yes N 17 . 17379 QUI 18 . DOUB C O1 no N 18 . 17379 QUI 19 . SING C O2 no N 19 . 17379 QUI 20 . SING O2 HO2 no N 20 . 17379 QUI stop_ save_ save_chem_comp_K _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_K _Chem_comp.Entry_ID 17379 _Chem_comp.ID K _Chem_comp.Provenance . _Chem_comp.Name 'POTASSIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code K _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 . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code K _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula K _Chem_comp.Formula_weight 39.098 _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 Fri Dec 9 11:05:05 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 InChI=1S/K/q+1 InChI InChI 1.03 17379 K [K+] SMILES ACDLabs 10.04 17379 K [K+] SMILES CACTVS 3.341 17379 K [K+] SMILES 'OpenEye OEToolkits' 1.5.0 17379 K [K+] SMILES_CANONICAL CACTVS 3.341 17379 K [K+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17379 K NPYPAHLBTDXSSS-UHFFFAOYSA-N InChIKey InChI 1.03 17379 K 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 potassium 'SYSTEMATIC NAME' ACDLabs 10.04 17379 K 'potassium(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17379 K 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 K . K . . K . . N 1 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17379 K stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17379 _Sample.ID 1 _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 'DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')' 'natural abundance' . . 1 $DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') . . 1 . . mM . . . . 17379 1 2 QUI 'natural abundance' . . 2 $QUI . . 2 . . mM . . . . 17379 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17379 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17379 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17379 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17379 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 17379 _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' 0.01 . M 17379 1 pH 6 . pH 17379 1 pressure 1 . atm 17379 1 temperature 308 . K 17379 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 17379 _Software.ID 1 _Software.Name InsightII _Software.Version 2003 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17379 1 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 17379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17379 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17379 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 17379 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17379 1 2 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17379 1 3 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17379 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17379 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $InsightII _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17379 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17379 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 17379 _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' . . . 17379 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 . 2 2 1 1 QUI H1' H 1 4.093 . . 2 . . . A 0 QUI H1' . 17379 1 2 . 2 2 1 1 QUI H10 H 1 6.703 . . 2 . . . A 0 QUI H10 . 17379 1 3 . 2 2 1 1 QUI H11 H 1 7.590 . . 2 . . . A 0 QUI H11 . 17379 1 4 . 2 2 1 1 QUI H2 H 1 7.276 . . 2 . . . A 0 QUI H2 . 17379 1 5 . 2 2 1 1 QUI H2' H 1 3.462 . . 2 . . . A 0 QUI H2' . 17379 1 6 . 2 2 1 1 QUI H3 H 1 7.217 . . 2 . . . A 0 QUI H3 . 17379 1 7 . 2 2 1 1 QUI H4 H 1 6.948 . . 2 . . . A 0 QUI H4 . 17379 1 8 . 2 2 1 1 QUI H4' H 1 3.244 . . 2 . . . A 0 QUI H4' . 17379 1 9 . 2 2 1 1 QUI H5 H 1 7.599 . . 2 . . . A 0 QUI H5 . 17379 1 10 . 2 2 1 1 QUI H5' H 1 1.236 . . 2 . . . A 0 QUI H5' . 17379 1 11 . 2 2 1 1 QUI H8 H 1 7.000 . . 2 . . . A 0 QUI H8 . 17379 1 12 . 2 2 1 1 QUI H9 H 1 7.053 . . 2 . . . A 0 QUI H9 . 17379 1 13 . 1 1 1 1 DT H1' H 1 5.643 . . 2 . . . A 4 DT H1' . 17379 1 14 . 1 1 1 1 DT H2' H 1 1.325 . . 2 . . . A 4 DT H2' . 17379 1 15 . 1 1 1 1 DT H2'' H 1 1.800 . . 2 . . . A 4 DT H2'' . 17379 1 16 . 1 1 1 1 DT H3' H 1 4.293 . . 2 . . . A 4 DT H3' . 17379 1 17 . 1 1 1 1 DT H4' H 1 3.672 . . 2 . . . A 4 DT H4' . 17379 1 18 . 1 1 1 1 DT H5'' H 1 3.340 . . 2 . . . A 4 DT H5'' . 17379 1 19 . 1 1 1 1 DT H6 H 1 7.061 . . 1 . . . A 4 DT H6 . 17379 1 20 . 1 1 2 2 DG H1' H 1 5.263 . . 2 . . . A 5 DG H1' . 17379 1 21 . 1 1 2 2 DG H2' H 1 2.033 . . 2 . . . A 5 DG H2' . 17379 1 22 . 1 1 2 2 DG H2'' H 1 1.866 . . 2 . . . A 5 DG H2'' . 17379 1 23 . 1 1 2 2 DG H3' H 1 4.536 . . 2 . . . A 5 DG H3' . 17379 1 24 . 1 1 2 2 DG H4' H 1 3.924 . . 2 . . . A 5 DG H4' . 17379 1 25 . 1 1 2 2 DG H5' H 1 3.567 . . 2 . . . A 5 DG H5' . 17379 1 26 . 1 1 2 2 DG H5'' H 1 3.651 . . 2 . . . A 5 DG H5'' . 17379 1 27 . 1 1 2 2 DG H8 H 1 7.056 . . 1 . . . A 5 DG H8 . 17379 1 28 . 1 1 3 3 DA H1' H 1 6.301 . . 2 . . . A 6 DA H1' . 17379 1 29 . 1 1 3 3 DA H2 H 1 8.059 . . 1 . . . A 6 DA H2 . 17379 1 30 . 1 1 3 3 DA H2' H 1 2.685 . . 2 . . . A 6 DA H2' . 17379 1 31 . 1 1 3 3 DA H2'' H 1 2.784 . . 2 . . . A 6 DA H2'' . 17379 1 32 . 1 1 3 3 DA H3' H 1 4.961 . . 2 . . . A 6 DA H3' . 17379 1 33 . 1 1 3 3 DA H4' H 1 4.234 . . 2 . . . A 6 DA H4' . 17379 1 34 . 1 1 3 3 DA H5' H 1 3.873 . . 2 . . . A 6 DA H5' . 17379 1 35 . 1 1 3 3 DA H5'' H 1 3.933 . . 2 . . . A 6 DA H5'' . 17379 1 36 . 1 1 3 3 DA H8 H 1 8.144 . . 1 . . . A 6 DA H8 . 17379 1 37 . 1 1 4 4 DG H1 H 1 11.411 . . 1 . . . A 7 DG H1 . 17379 1 38 . 1 1 4 4 DG H1' H 1 6.050 . . 2 . . . A 7 DG H1' . 17379 1 39 . 1 1 4 4 DG H2' H 1 2.751 . . 2 . . . A 7 DG H2' . 17379 1 40 . 1 1 4 4 DG H2'' H 1 2.992 . . 2 . . . A 7 DG H2'' . 17379 1 41 . 1 1 4 4 DG H3' H 1 4.998 . . 2 . . . A 7 DG H3' . 17379 1 42 . 1 1 4 4 DG H4' H 1 4.497 . . 2 . . . A 7 DG H4' . 17379 1 43 . 1 1 4 4 DG H5' H 1 4.169 . . 2 . . . A 7 DG H5' . 17379 1 44 . 1 1 4 4 DG H5'' H 1 4.228 . . 2 . . . A 7 DG H5'' . 17379 1 45 . 1 1 4 4 DG H8 H 1 8.070 . . 1 . . . A 7 DG H8 . 17379 1 46 . 1 1 5 5 DG H1 H 1 10.894 . . 1 . . . A 8 DG H1 . 17379 1 47 . 1 1 5 5 DG H1' H 1 6.086 . . 2 . . . A 8 DG H1' . 17379 1 48 . 1 1 5 5 DG H2' H 1 2.617 . . 2 . . . A 8 DG H2' . 17379 1 49 . 1 1 5 5 DG H2'' H 1 2.906 . . 2 . . . A 8 DG H2'' . 17379 1 50 . 1 1 5 5 DG H3' H 1 5.010 . . 2 . . . A 8 DG H3' . 17379 1 51 . 1 1 5 5 DG H4' H 1 4.513 . . 2 . . . A 8 DG H4' . 17379 1 52 . 1 1 5 5 DG H5' H 1 4.310 . . 2 . . . A 8 DG H5' . 17379 1 53 . 1 1 5 5 DG H5'' H 1 4.290 . . 2 . . . A 8 DG H5'' . 17379 1 54 . 1 1 5 5 DG H8 H 1 7.657 . . 1 . . . A 8 DG H8 . 17379 1 55 . 1 1 6 6 DG H1 H 1 10.509 . . 1 . . . A 9 DG H1 . 17379 1 56 . 1 1 6 6 DG H1' H 1 6.309 . . 2 . . . A 9 DG H1' . 17379 1 57 . 1 1 6 6 DG H2' H 1 2.773 . . 2 . . . A 9 DG H2' . 17379 1 58 . 1 1 6 6 DG H2'' H 1 2.688 . . 2 . . . A 9 DG H2'' . 17379 1 59 . 1 1 6 6 DG H3' H 1 5.169 . . 2 . . . A 9 DG H3' . 17379 1 60 . 1 1 6 6 DG H4' H 1 4.596 . . 2 . . . A 9 DG H4' . 17379 1 61 . 1 1 6 6 DG H5' H 1 4.310 . . 2 . . . A 9 DG H5' . 17379 1 62 . 1 1 6 6 DG H5'' H 1 4.361 . . 2 . . . A 9 DG H5'' . 17379 1 63 . 1 1 6 6 DG H8 H 1 7.643 . . 1 . . . A 9 DG H8 . 17379 1 64 . 1 1 7 7 DT H1' H 1 6.513 . . 2 . . . A 10 DT H1' . 17379 1 65 . 1 1 7 7 DT H2' H 1 2.470 . . 2 . . . A 10 DT H2' . 17379 1 66 . 1 1 7 7 DT H2'' H 1 2.669 . . 2 . . . A 10 DT H2'' . 17379 1 67 . 1 1 7 7 DT H3' H 1 5.099 . . 2 . . . A 10 DT H3' . 17379 1 68 . 1 1 7 7 DT H4' H 1 4.585 . . 2 . . . A 10 DT H4' . 17379 1 69 . 1 1 7 7 DT H5' H 1 4.277 . . 2 . . . A 10 DT H5' . 17379 1 70 . 1 1 7 7 DT H5'' H 1 4.345 . . 2 . . . A 10 DT H5'' . 17379 1 71 . 1 1 7 7 DT H6 H 1 7.870 . . 1 . . . A 10 DT H6 . 17379 1 72 . 1 1 7 7 DT H71 H 1 2.002 . . 2 . . . A 10 DT H71 . 17379 1 73 . 1 1 7 7 DT H72 H 1 2.002 . . 2 . . . A 10 DT H71 . 17379 1 74 . 1 1 7 7 DT H73 H 1 2.002 . . 2 . . . A 10 DT H71 . 17379 1 75 . 1 1 8 8 DG H1 H 1 11.021 . . 1 . . . A 11 DG H1 . 17379 1 76 . 1 1 8 8 DG H1' H 1 6.020 . . 2 . . . A 11 DG H1' . 17379 1 77 . 1 1 8 8 DG H2' H 1 2.378 . . 2 . . . A 11 DG H2' . 17379 1 78 . 1 1 8 8 DG H2'' H 1 2.835 . . 2 . . . A 11 DG H2'' . 17379 1 79 . 1 1 8 8 DG H3' H 1 5.060 . . 2 . . . A 11 DG H3' . 17379 1 80 . 1 1 8 8 DG H4' H 1 4.470 . . 2 . . . A 11 DG H4' . 17379 1 81 . 1 1 8 8 DG H5'' H 1 4.310 . . 2 . . . A 11 DG H5'' . 17379 1 82 . 1 1 8 8 DG H8 H 1 7.864 . . 1 . . . A 11 DG H8 . 17379 1 83 . 1 1 9 9 DG H1 H 1 11.082 . . 1 . . . A 12 DG H1 . 17379 1 84 . 1 1 9 9 DG H1' H 1 6.004 . . 2 . . . A 12 DG H1' . 17379 1 85 . 1 1 9 9 DG H2' H 1 2.562 . . 2 . . . A 12 DG H2' . 17379 1 86 . 1 1 9 9 DG H2'' H 1 2.772 . . 2 . . . A 12 DG H2'' . 17379 1 87 . 1 1 9 9 DG H3' H 1 5.015 . . 2 . . . A 12 DG H3' . 17379 1 88 . 1 1 9 9 DG H4' H 1 4.427 . . 2 . . . A 12 DG H4' . 17379 1 89 . 1 1 9 9 DG H5' H 1 4.186 . . 2 . . . A 12 DG H5' . 17379 1 90 . 1 1 9 9 DG H5'' H 1 4.243 . . 2 . . . A 12 DG H5'' . 17379 1 91 . 1 1 9 9 DG H8 H 1 7.722 . . 1 . . . A 12 DG H8 . 17379 1 92 . 1 1 10 10 DG H1 H 1 10.878 . . 1 . . . A 13 DG H1 . 17379 1 93 . 1 1 10 10 DG H1' H 1 6.325 . . 2 . . . A 13 DG H1' . 17379 1 94 . 1 1 10 10 DG H2' H 1 2.754 . . 2 . . . A 13 DG H2' . 17379 1 95 . 1 1 10 10 DG H2'' H 1 2.684 . . 2 . . . A 13 DG H2'' . 17379 1 96 . 1 1 10 10 DG H3' H 1 5.075 . . 2 . . . A 13 DG H3' . 17379 1 97 . 1 1 10 10 DG H4' H 1 4.470 . . 2 . . . A 13 DG H4' . 17379 1 98 . 1 1 10 10 DG H5'' H 1 4.265 . . 2 . . . A 13 DG H5'' . 17379 1 99 . 1 1 10 10 DG H8 H 1 7.684 . . 1 . . . A 13 DG H8 . 17379 1 100 . 1 1 11 11 DT H1' H 1 6.255 . . 2 . . . A 14 DT H1' . 17379 1 101 . 1 1 11 11 DT H2' H 1 2.243 . . 2 . . . A 14 DT H2' . 17379 1 102 . 1 1 11 11 DT H2'' H 1 2.482 . . 2 . . . A 14 DT H2'' . 17379 1 103 . 1 1 11 11 DT H4' H 1 3.960 . . 2 . . . A 14 DT H4' . 17379 1 104 . 1 1 11 11 DT H5'' H 1 3.821 . . 2 . . . A 14 DT H5'' . 17379 1 105 . 1 1 11 11 DT H6 H 1 7.674 . . 1 . . . A 14 DT H6 . 17379 1 106 . 1 1 11 11 DT H71 H 1 1.954 . . 2 . . . A 14 DT H71 . 17379 1 107 . 1 1 11 11 DT H72 H 1 1.954 . . 2 . . . A 14 DT H71 . 17379 1 108 . 1 1 11 11 DT H73 H 1 1.954 . . 2 . . . A 14 DT H71 . 17379 1 109 . 1 1 12 12 DA H1' H 1 6.665 . . 2 . . . A 15 DA H1' . 17379 1 110 . 1 1 12 12 DA H2 H 1 8.361 . . 1 . . . A 15 DA H2 . 17379 1 111 . 1 1 12 12 DA H2' H 1 3.069 . . 2 . . . A 15 DA H2' . 17379 1 112 . 1 1 12 12 DA H2'' H 1 2.950 . . 2 . . . A 15 DA H2'' . 17379 1 113 . 1 1 12 12 DA H3' H 1 5.193 . . 2 . . . A 15 DA H3' . 17379 1 114 . 1 1 12 12 DA H4' H 1 4.592 . . 2 . . . A 15 DA H4' . 17379 1 115 . 1 1 12 12 DA H5' H 1 4.199 . . 2 . . . A 15 DA H5' . 17379 1 116 . 1 1 12 12 DA H5'' H 1 4.291 . . 2 . . . A 15 DA H5'' . 17379 1 117 . 1 1 12 12 DA H8 H 1 8.552 . . 1 . . . A 15 DA H8 . 17379 1 118 . 1 1 13 13 DG H1 H 1 11.080 . . 1 . . . A 16 DG H1 . 17379 1 119 . 1 1 13 13 DG H1' H 1 6.076 . . 2 . . . A 16 DG H1' . 17379 1 120 . 1 1 13 13 DG H2' H 1 2.552 . . 2 . . . A 16 DG H2' . 17379 1 121 . 1 1 13 13 DG H2'' H 1 2.900 . . 2 . . . A 16 DG H2'' . 17379 1 122 . 1 1 13 13 DG H3' H 1 5.013 . . 2 . . . A 16 DG H3' . 17379 1 123 . 1 1 13 13 DG H4' H 1 4.513 . . 2 . . . A 16 DG H4' . 17379 1 124 . 1 1 13 13 DG H5' H 1 4.229 . . 2 . . . A 16 DG H5' . 17379 1 125 . 1 1 13 13 DG H5'' H 1 4.294 . . 2 . . . A 16 DG H5'' . 17379 1 126 . 1 1 13 13 DG H8 H 1 7.973 . . 1 . . . A 16 DG H8 . 17379 1 127 . 1 1 14 14 DG H1 H 1 10.902 . . 1 . . . A 17 DG H1 . 17379 1 128 . 1 1 14 14 DG H1' H 1 6.097 . . 2 . . . A 17 DG H1' . 17379 1 129 . 1 1 14 14 DG H2' H 1 2.598 . . 2 . . . A 17 DG H2' . 17379 1 130 . 1 1 14 14 DG H2'' H 1 2.918 . . 2 . . . A 17 DG H2'' . 17379 1 131 . 1 1 14 14 DG H3' H 1 4.987 . . 2 . . . A 17 DG H3' . 17379 1 132 . 1 1 14 14 DG H4' H 1 4.526 . . 2 . . . A 17 DG H4' . 17379 1 133 . 1 1 14 14 DG H5' H 1 4.199 . . 2 . . . A 17 DG H5' . 17379 1 134 . 1 1 14 14 DG H5'' H 1 4.251 . . 2 . . . A 17 DG H5'' . 17379 1 135 . 1 1 14 14 DG H8 H 1 7.609 . . 1 . . . A 17 DG H8 . 17379 1 136 . 1 1 15 15 DG H1 H 1 10.562 . . 1 . . . A 18 DG H1 . 17379 1 137 . 1 1 15 15 DG H1' H 1 6.357 . . 2 . . . A 18 DG H1' . 17379 1 138 . 1 1 15 15 DG H2' H 1 2.759 . . 2 . . . A 18 DG H2' . 17379 1 139 . 1 1 15 15 DG H2'' H 1 2.691 . . 2 . . . A 18 DG H2'' . 17379 1 140 . 1 1 15 15 DG H3' H 1 5.165 . . 2 . . . A 18 DG H3' . 17379 1 141 . 1 1 15 15 DG H4' H 1 4.598 . . 2 . . . A 18 DG H4' . 17379 1 142 . 1 1 15 15 DG H5'' H 1 4.345 . . 2 . . . A 18 DG H5'' . 17379 1 143 . 1 1 15 15 DG H8 H 1 7.705 . . 1 . . . A 18 DG H8 . 17379 1 144 . 1 1 16 16 DT H1' H 1 6.523 . . 2 . . . A 19 DT H1' . 17379 1 145 . 1 1 16 16 DT H2' H 1 2.483 . . 2 . . . A 19 DT H2' . 17379 1 146 . 1 1 16 16 DT H2'' H 1 2.683 . . 2 . . . A 19 DT H2'' . 17379 1 147 . 1 1 16 16 DT H3' H 1 5.112 . . 2 . . . A 19 DT H3' . 17379 1 148 . 1 1 16 16 DT H4' H 1 4.598 . . 2 . . . A 19 DT H4' . 17379 1 149 . 1 1 16 16 DT H5' H 1 4.281 . . 2 . . . A 19 DT H5' . 17379 1 150 . 1 1 16 16 DT H5'' H 1 4.351 . . 2 . . . A 19 DT H5'' . 17379 1 151 . 1 1 16 16 DT H6 H 1 7.880 . . 1 . . . A 19 DT H6 . 17379 1 152 . 1 1 16 16 DT H71 H 1 2.007 . . 2 . . . A 19 DT H71 . 17379 1 153 . 1 1 16 16 DT H72 H 1 2.007 . . 2 . . . A 19 DT H71 . 17379 1 154 . 1 1 16 16 DT H73 H 1 2.007 . . 2 . . . A 19 DT H71 . 17379 1 155 . 1 1 17 17 DG H1 H 1 11.092 . . 1 . . . A 20 DG H1 . 17379 1 156 . 1 1 17 17 DG H1' H 1 6.002 . . 2 . . . A 20 DG H1' . 17379 1 157 . 1 1 17 17 DG H2' H 1 2.342 . . 2 . . . A 20 DG H2' . 17379 1 158 . 1 1 17 17 DG H2'' H 1 2.790 . . 2 . . . A 20 DG H2'' . 17379 1 159 . 1 1 17 17 DG H3' H 1 5.074 . . 2 . . . A 20 DG H3' . 17379 1 160 . 1 1 17 17 DG H4' H 1 4.484 . . 2 . . . A 20 DG H4' . 17379 1 161 . 1 1 17 17 DG H5' H 1 4.285 . . 2 . . . A 20 DG H5' . 17379 1 162 . 1 1 17 17 DG H5'' H 1 4.332 . . 2 . . . A 20 DG H5'' . 17379 1 163 . 1 1 17 17 DG H8 H 1 7.829 . . 1 . . . A 20 DG H8 . 17379 1 164 . 1 1 18 18 DG H1 H 1 11.132 . . 1 . . . A 21 DG H1 . 17379 1 165 . 1 1 18 18 DG H1' H 1 5.984 . . 2 . . . A 21 DG H1' . 17379 1 166 . 1 1 18 18 DG H2' H 1 2.645 . . 2 . . . A 21 DG H2' . 17379 1 167 . 1 1 18 18 DG H2'' H 1 2.715 . . 2 . . . A 21 DG H2'' . 17379 1 168 . 1 1 18 18 DG H3' H 1 5.059 . . 2 . . . A 21 DG H3' . 17379 1 169 . 1 1 18 18 DG H4' H 1 4.520 . . 2 . . . A 21 DG H4' . 17379 1 170 . 1 1 18 18 DG H5' H 1 4.205 . . 2 . . . A 21 DG H5' . 17379 1 171 . 1 1 18 18 DG H5'' H 1 4.275 . . 2 . . . A 21 DG H5'' . 17379 1 172 . 1 1 18 18 DG H8 H 1 7.794 . . 1 . . . A 21 DG H8 . 17379 1 173 . 1 1 19 19 DG H1 H 1 10.669 . . 1 . . . A 22 DG H1 . 17379 1 174 . 1 1 19 19 DG H1' H 1 6.219 . . 2 . . . A 22 DG H1' . 17379 1 175 . 1 1 19 19 DG H2' H 1 2.658 . . 2 . . . A 22 DG H2' . 17379 1 176 . 1 1 19 19 DG H2'' H 1 2.730 . . 2 . . . A 22 DG H2'' . 17379 1 177 . 1 1 19 19 DG H3' H 1 5.086 . . 2 . . . A 22 DG H3' . 17379 1 178 . 1 1 19 19 DG H4' H 1 4.543 . . 2 . . . A 22 DG H4' . 17379 1 179 . 1 1 19 19 DG H5' H 1 4.266 . . 2 . . . A 22 DG H5' . 17379 1 180 . 1 1 19 19 DG H5'' H 1 4.321 . . 2 . . . A 22 DG H5'' . 17379 1 181 . 1 1 19 19 DG H8 H 1 7.597 . . 1 . . . A 22 DG H8 . 17379 1 182 . 1 1 20 20 DT H1' H 1 6.012 . . 2 . . . A 23 DT H1' . 17379 1 183 . 1 1 20 20 DT H2' H 1 2.002 . . 2 . . . A 23 DT H2' . 17379 1 184 . 1 1 20 20 DT H2'' H 1 2.324 . . 2 . . . A 23 DT H2'' . 17379 1 185 . 1 1 20 20 DT H3' H 1 4.809 . . 2 . . . A 23 DT H3' . 17379 1 186 . 1 1 20 20 DT H4' H 1 4.276 . . 2 . . . A 23 DT H4' . 17379 1 187 . 1 1 20 20 DT H5' H 1 4.117 . . 2 . . . A 23 DT H5' . 17379 1 188 . 1 1 20 20 DT H5'' H 1 4.240 . . 2 . . . A 23 DT H5'' . 17379 1 189 . 1 1 20 20 DT H6 H 1 7.520 . . 1 . . . A 23 DT H6 . 17379 1 190 . 1 1 20 20 DT H71 H 1 1.854 . . 2 . . . A 23 DT H71 . 17379 1 191 . 1 1 20 20 DT H72 H 1 1.854 . . 2 . . . A 23 DT H71 . 17379 1 192 . 1 1 20 20 DT H73 H 1 1.854 . . 2 . . . A 23 DT H71 . 17379 1 193 . 1 1 21 21 DA H1' H 1 5.519 . . 2 . . . A 24 DA H1' . 17379 1 194 . 1 1 21 21 DA H2 H 1 7.428 . . 2 . . . A 24 DA H2 . 17379 1 195 . 1 1 21 21 DA H2' H 1 2.039 . . 2 . . . A 24 DA H2' . 17379 1 196 . 1 1 21 21 DA H2'' H 1 2.203 . . 2 . . . A 24 DA H2'' . 17379 1 197 . 1 1 21 21 DA H3' H 1 4.559 . . 2 . . . A 24 DA H3' . 17379 1 198 . 1 1 21 21 DA H4' H 1 3.810 . . 2 . . . A 24 DA H4' . 17379 1 199 . 1 1 21 21 DA H5'' H 1 3.818 . . 2 . . . A 24 DA H5'' . 17379 1 200 . 1 1 21 21 DA H8 H 1 7.792 . . 1 . . . A 24 DA H8 . 17379 1 201 . 1 1 22 22 DA H1' H 1 5.776 . . 2 . . . A 25 DA H1' . 17379 1 202 . 1 1 22 22 DA H2 H 1 7.584 . . 2 . . . A 25 DA H2 . 17379 1 203 . 1 1 22 22 DA H2' H 1 2.270 . . 2 . . . A 25 DA H2' . 17379 1 204 . 1 1 22 22 DA H2'' H 1 2.173 . . 2 . . . A 25 DA H2'' . 17379 1 205 . 1 1 22 22 DA H3' H 1 4.390 . . 2 . . . A 25 DA H3' . 17379 1 206 . 1 1 22 22 DA H4' H 1 3.852 . . 2 . . . A 25 DA H4' . 17379 1 207 . 1 1 22 22 DA H5' H 1 3.686 . . 2 . . . A 25 DA H5' . 17379 1 208 . 1 1 22 22 DA H5'' H 1 3.766 . . 2 . . . A 25 DA H5'' . 17379 1 209 . 1 1 22 22 DA H8 H 1 7.778 . . 1 . . . A 25 DA H8 . 17379 1 stop_ save_