data_11437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11437 _Entry.Title ; DNA oligmer containing propylene cross-linked cyclic 2' -deoxyuridylate dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-24 _Entry.Accession_date 2011-03-24 _Entry.Last_release_date 2011-06-24 _Entry.Original_release_date 2011-06-24 _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 Kyoko Furuita . . . 11437 2 Shunpei Murata . . . 11437 3 JunGoo Jee . . . 11437 4 Satoshi Ichikawa . . . 11437 5 Akira Matsuda . . . 11437 6 Chojiro Kojima . . . 11437 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' . 11437 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bent DNA' . 11437 deoxyuridylate . 11437 DNA . 11437 'nucleic acid' . 11437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 213 11437 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-24 2011-03-24 original author . 11437 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRQ 'BMRB Entry Tracking System' 11437 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 11437 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21443191 _Citation.Full_citation . _Citation.Title 'Structural feature of bent DNA recognized by HMGB1.' _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 15 _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 5788 _Citation.Page_last 5790 _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 Kyoko Furuita . . . 11437 1 2 Shunpei Murata . . . 11437 1 3 'Jun Goo' Jee . . . 11437 1 4 Satoshi Ichikawa . . . 11437 1 5 Akira Matsuda . . . 11437 1 6 Chojiro Kojima . . . 11437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11437 _Assembly.ID 1 _Assembly.Name Propylene-DNA _Assembly.BMRB_code . _Assembly.Number_of_components 28 _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 Propylene-DNA 1 $Propylene-DNA A . yes native no no . . . 11437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Propylene-DNA _Entity.Sf_category entity _Entity.Sf_framecode Propylene-DNA _Entity.Entry_ID 11437 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Propylene-DNA _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 ; CCTTCAXTACATCCGGATGT AATGAAGG ; _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 28 _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 111.103 _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 . DC . 11437 1 2 . DC . 11437 1 3 . DT . 11437 1 4 . DT . 11437 1 5 . DC . 11437 1 6 . DA . 11437 1 7 . JDT . 11437 1 8 . DT . 11437 1 9 . DA . 11437 1 10 . DC . 11437 1 11 . DA . 11437 1 12 . DT . 11437 1 13 . DC . 11437 1 14 . DC . 11437 1 15 . DG . 11437 1 16 . DG . 11437 1 17 . DA . 11437 1 18 . DT . 11437 1 19 . DG . 11437 1 20 . DT . 11437 1 21 . DA . 11437 1 22 . DA . 11437 1 23 . DT . 11437 1 24 . DG . 11437 1 25 . DA . 11437 1 26 . DA . 11437 1 27 . DG . 11437 1 28 . DG . 11437 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 . DC 1 1 11437 1 . DC 2 2 11437 1 . DT 3 3 11437 1 . DT 4 4 11437 1 . DC 5 5 11437 1 . DA 6 6 11437 1 . JDT 7 7 11437 1 . DT 8 8 11437 1 . DA 9 9 11437 1 . DC 10 10 11437 1 . DA 11 11 11437 1 . DT 12 12 11437 1 . DC 13 13 11437 1 . DC 14 14 11437 1 . DG 15 15 11437 1 . DG 16 16 11437 1 . DA 17 17 11437 1 . DT 18 18 11437 1 . DG 19 19 11437 1 . DT 20 20 11437 1 . DA 21 21 11437 1 . DA 22 22 11437 1 . DT 23 23 11437 1 . DG 24 24 11437 1 . DA 25 25 11437 1 . DA 26 26 11437 1 . DG 27 27 11437 1 . DG 28 28 11437 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11437 _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 $Propylene-DNA . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11437 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 11437 _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 $Propylene-DNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11437 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_JDT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_JDT _Chem_comp.Entry_ID 11437 _Chem_comp.ID JDT _Chem_comp.Provenance . _Chem_comp.Name '2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)' _Chem_comp.Type 'DNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code JDT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2011-04-01 _Chem_comp.Modified_date 2011-04-01 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code JDT _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 DT _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 no _Chem_comp.Formula 'C11 H17 N2 O8 P' _Chem_comp.Formula_weight 336.235 _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 2RRQ _Chem_comp.Processing_site PDBJ _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 Wed May 25 09:34:09 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 CCC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O SMILES_CANONICAL CACTVS 3.370 11437 JDT CCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O SMILES CACTVS 3.370 11437 JDT CCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O SMILES 'OpenEye OEToolkits' 1.7.0 11437 JDT CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 11437 JDT InChI=1S/C11H17N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1 InChI InChI 1.02 11437 JDT O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)CC)CC2O SMILES ACDLabs 12.01 11437 JDT PKJQLAZOOFOCPH-DJLDLDEBSA-N InChIKey InChI 1.02 11437 JDT 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'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)' 'SYSTEMATIC NAME' ACDLabs 12.01 11437 JDT '[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 11437 JDT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P . P . . P . . N 0 . . . . no no . . . . 1.201 . 12.496 . 3.195 . 4.443 1.134 0.031 1 . 11437 JDT N1 . N1 . . N . . N 0 . . . . no no . . . . -2.152 . 7.341 . 2.918 . -2.063 -0.461 0.289 2 . 11437 JDT C2 . C2 . . C . . N 0 . . . . no no . . . . -3.227 . 6.752 . 2.287 . -2.015 -0.183 -1.027 3 . 11437 JDT O2 . O2 . . O . . N 0 . . . . no no . . . . -4.341 . 7.247 . 2.266 . -1.016 -0.461 -1.662 4 . 11437 JDT N3 . N3 . . N . . N 0 . . . . no no . . . . -2.950 . 5.556 . 1.679 . -3.057 0.398 -1.650 5 . 11437 JDT C4 . C4 . . C . . N 0 . . . . no no . . . . -1.736 . 4.904 . 1.638 . -4.172 0.713 -0.959 6 . 11437 JDT O4 . O4 . . O . . N 0 . . . . no no . . . . -1.635 . 3.838 . 1.035 . -5.115 1.238 -1.522 7 . 11437 JDT C5 . C5 . . C . . N 0 . . . . no no . . . . -0.654 . 5.577 . 2.324 . -4.236 0.426 0.426 8 . 11437 JDT C6 . C6 . . C . . N 0 . . . . no no . . . . -0.907 . 6.753 . 2.915 . -3.176 -0.157 1.025 9 . 11437 JDT C7 . C7 . . C . . N 0 . . . . no no . . . . 0.670 . 4.898 . 2.447 . -5.470 0.768 1.220 10 . 11437 JDT C1' . C1' . . C . . R 0 . . . . no no . . . . -2.369 . 8.626 . 3.611 . -0.915 -1.099 0.938 11 . 11437 JDT C2' . C2' . . C . . N 0 . . . . no no . . . . -2.574 . 8.494 . 5.121 . -0.712 -2.516 0.368 12 . 11437 JDT C3' . C3' . . C . . S 0 . . . . no no . . . . -1.288 . 9.042 . 5.713 . 0.728 -2.493 -0.201 13 . 11437 JDT O3' . O3' . . O . . N 0 . . . . no no . . . . -1.525 . 9.690 . 6.965 . 1.412 -3.713 0.093 14 . 11437 JDT C4' . C4' . . C . . R 0 . . . . no no . . . . -0.852 . 10.056 . 4.666 . 1.361 -1.305 0.566 15 . 11437 JDT O4' . O4' . . O . . N 0 . . . . no no . . . . -1.214 . 9.439 . 3.412 . 0.281 -0.352 0.662 16 . 11437 JDT C5' . C5' . . C . . N 0 . . . . no no . . . . 0.620 . 10.399 . 4.685 . 2.531 -0.716 -0.225 17 . 11437 JDT O5' . O5' . . O . . N 0 . . . . no no . . . . 0.797 . 11.814 . 4.579 . 3.169 0.299 0.554 18 . 11437 JDT C72 . C72 . . C . . N 0 . . . . no no . . . . 1.033 . 4.182 . 3.713 . -5.394 2.225 1.679 19 . 11437 JDT OP1 . OP1 . . O . . N 0 . . . . no no . . . . 2.683 . 12.559 . 3.120 . 5.517 0.197 -0.367 20 . 11437 JDT OP2 . OP2 . . O . . N 0 . . . . no no . . . . 0.407 . 13.744 . 3.058 . 4.976 2.092 1.210 21 . 11437 JDT OP3 . OP3 . . O . . N 0 . . . . no yes . . . . 0.666 . 11.471 . 2.078 . 4.014 2.030 -1.236 22 . 11437 JDT HN3 . HN3 . . H . . N 0 . . . . no no . . . . -3.712 . 5.106 . 1.214 . -3.006 0.592 -2.599 23 . 11437 JDT H6 . H6 . . H . . N 0 . . . . no no . . . . -0.096 . 7.264 . 3.413 . -3.206 -0.384 2.081 24 . 11437 JDT H71 . H71 . . H . . N 0 . . . . no no . . . . 0.699 . 4.141 . 1.650 . -6.353 0.628 0.597 25 . 11437 JDT H72 . H72 . . H . . N 0 . . . . no no . . . . 1.429 . 5.683 . 2.313 . -5.533 0.115 2.091 26 . 11437 JDT H1' . H1' . . H . . N 0 . . . . no no . . . . -3.288 . 9.058 . 3.189 . -1.081 -1.153 2.014 27 . 11437 JDT H2' . H2' . . H . . N 0 . . . . no no . . . . -3.448 . 9.070 . 5.459 . -0.798 -3.262 1.158 28 . 11437 JDT H2'' . H2'' . . H . . N 0 . . . . no no . . . . -2.735 . 7.446 . 5.414 . -1.433 -2.715 -0.425 29 . 11437 JDT H3' . H3' . . H . . N 0 . . . . no no . . . . -0.541 . 8.262 . 5.921 . 0.719 -2.304 -1.275 30 . 11437 JDT HO3' . HO3' . . H . . N 0 . . . . no yes . . . . -0.705 . 10.022 . 7.311 . 0.999 -4.498 -0.292 31 . 11437 JDT H4' . H4' . . H . . N 0 . . . . no no . . . . -1.339 . 11.024 . 4.853 . 1.686 -1.618 1.558 32 . 11437 JDT H5' . H5' . . H . . N 0 . . . . no no . . . . 1.062 . 10.048 . 5.629 . 3.249 -1.504 -0.453 33 . 11437 JDT H5'' . H5'' . . H . . N 0 . . . . no no . . . . 1.118 . 9.907 . 3.837 . 2.160 -0.282 -1.153 34 . 11437 JDT H72A . H72A . . H . . N 0 . . . . no no . . . . 1.021 . 4.893 . 4.552 . -6.286 2.472 2.253 35 . 11437 JDT H72B . H72B . . H . . N 0 . . . . no no . . . . 0.305 . 3.379 . 3.902 . -4.510 2.364 2.302 36 . 11437 JDT H72C . H72C . . H . . N 0 . . . . no no . . . . 2.039 . 3.749 . 3.614 . -5.330 2.877 0.808 37 . 11437 JDT HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 0.993 . 14.480 . 2.930 . 5.744 2.626 0.965 38 . 11437 JDT HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 1.403 . 11.113 . 1.597 . 3.312 2.668 -1.047 39 . 11437 JDT 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 P O5' no N 1 . 11437 JDT 2 . DOUB P OP1 no N 2 . 11437 JDT 3 . SING P OP2 no N 3 . 11437 JDT 4 . SING P OP3 no N 4 . 11437 JDT 5 . SING N1 C2 no N 5 . 11437 JDT 6 . SING N1 C6 no N 6 . 11437 JDT 7 . SING N1 C1' no N 7 . 11437 JDT 8 . DOUB C2 O2 no N 8 . 11437 JDT 9 . SING C2 N3 no N 9 . 11437 JDT 10 . SING N3 C4 no N 10 . 11437 JDT 11 . DOUB C4 O4 no N 11 . 11437 JDT 12 . SING C4 C5 no N 12 . 11437 JDT 13 . DOUB C5 C6 no N 13 . 11437 JDT 14 . SING C5 C7 no N 14 . 11437 JDT 15 . SING C7 C72 no N 15 . 11437 JDT 16 . SING C1' C2' no N 16 . 11437 JDT 17 . SING C1' O4' no N 17 . 11437 JDT 18 . SING C2' C3' no N 18 . 11437 JDT 19 . SING C3' O3' no N 19 . 11437 JDT 20 . SING C3' C4' no N 20 . 11437 JDT 21 . SING C4' O4' no N 21 . 11437 JDT 22 . SING C4' C5' no N 22 . 11437 JDT 23 . SING C5' O5' no N 23 . 11437 JDT 24 . SING N3 HN3 no N 24 . 11437 JDT 25 . SING C6 H6 no N 25 . 11437 JDT 26 . SING C7 H71 no N 26 . 11437 JDT 27 . SING C7 H72 no N 27 . 11437 JDT 28 . SING C1' H1' no N 28 . 11437 JDT 29 . SING C2' H2' no N 29 . 11437 JDT 30 . SING C2' H2'' no N 30 . 11437 JDT 31 . SING C3' H3' no N 31 . 11437 JDT 32 . SING O3' HO3' no N 32 . 11437 JDT 33 . SING C4' H4' no N 33 . 11437 JDT 34 . SING C5' H5' no N 34 . 11437 JDT 35 . SING C5' H5'' no N 35 . 11437 JDT 36 . SING C72 H72A no N 36 . 11437 JDT 37 . SING C72 H72B no N 37 . 11437 JDT 38 . SING C72 H72C no N 38 . 11437 JDT 39 . SING OP2 HOP2 no N 39 . 11437 JDT 40 . SING OP3 HOP3 no N 40 . 11437 JDT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11437 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11437 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11437 1 3 Propylene-DNA 'natural abundance' . . 1 $Propylene-DNA . . 0.5 . . mM . . . . 11437 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11437 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11437 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11437 _Sample.ID 2 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11437 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11437 2 3 Propylene-DNA 'natural abundance' . . 1 $Propylene-DNA . . 0.5 . . mM . . . . 11437 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 11437 2 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 11437 _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 pH 6.8 . pH 11437 1 temperature 283 . K 11437 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 11437 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 11437 2 temperature 303 . K 11437 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11437 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11437 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11437 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11437 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11437 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11437 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11437 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11437 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11437 3 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 11437 _Software.ID 4 _Software.Name MARDIGRAS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brandan A. Borgias, Paul D. Thomas, He Liu and Anil Kumar' . . 11437 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11437 4 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 11437 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11437 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 11437 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11437 1 2 spectrometer_2 Bruker DRX . 800 . . . 11437 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 11437 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11437 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11437 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11437 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11437 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11437 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 11437 _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 external direct 1 . . . . . . . . . 11437 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 11437 _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' . . . 11437 1 2 '2D 1H-1H NOESY' . . . 11437 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 DC H1' H 1 5.950 0.002 . 1 . . . A 1 DC H1' . 11437 1 2 . 1 1 1 1 DC H2' H 1 2.220 0.007 . 1 . . . A 1 DC H2' . 11437 1 3 . 1 1 1 1 DC H2'' H 1 2.532 0.004 . 1 . . . A 1 DC H2'' . 11437 1 4 . 1 1 1 1 DC H3' H 1 4.637 0.003 . 1 . . . A 1 DC H3' . 11437 1 5 . 1 1 1 1 DC H5 H 1 5.920 0.004 . 1 . . . A 1 DC H5 . 11437 1 6 . 1 1 1 1 DC H6 H 1 7.778 0.004 . 1 . . . A 1 DC H6 . 11437 1 7 . 1 1 1 1 DC H41 H 1 7.057 0.001 . 2 . . . A 1 DC H41 . 11437 1 8 . 1 1 1 1 DC H42 H 1 7.756 0.004 . 2 . . . A 1 DC H42 . 11437 1 9 . 1 1 2 2 DC H1' H 1 6.034 0.004 . 1 . . . A 2 DC H1' . 11437 1 10 . 1 1 2 2 DC H2' H 1 2.190 0.006 . 1 . . . A 2 DC H2' . 11437 1 11 . 1 1 2 2 DC H2'' H 1 2.507 0.006 . 1 . . . A 2 DC H2'' . 11437 1 12 . 1 1 2 2 DC H3' H 1 4.814 0.002 . 1 . . . A 2 DC H3' . 11437 1 13 . 1 1 2 2 DC H5 H 1 5.611 0.002 . 1 . . . A 2 DC H5 . 11437 1 14 . 1 1 2 2 DC H6 H 1 7.644 0.008 . 1 . . . A 2 DC H6 . 11437 1 15 . 1 1 2 2 DC H41 H 1 7.042 0.001 . 2 . . . A 2 DC H41 . 11437 1 16 . 1 1 2 2 DC H42 H 1 8.346 0.000 . 2 . . . A 2 DC H42 . 11437 1 17 . 1 1 3 3 DT H1' H 1 6.066 0.007 . 1 . . . A 3 DT H1' . 11437 1 18 . 1 1 3 3 DT H71 H 1 1.589 0.005 . 2 . . . . 3 THY H7 . 11437 1 19 . 1 1 3 3 DT H72 H 1 1.589 0.005 . 2 . . . . 3 THY H7 . 11437 1 20 . 1 1 3 3 DT H73 H 1 1.589 0.005 . 2 . . . . 3 THY H7 . 11437 1 21 . 1 1 3 3 DT H2' H 1 2.173 0.005 . 1 . . . A 3 DT H2' . 11437 1 22 . 1 1 3 3 DT H2'' H 1 2.582 0.007 . 1 . . . A 3 DT H2'' . 11437 1 23 . 1 1 3 3 DT H3 H 1 14.069 0.002 . 1 . . . A 3 DT H3 . 11437 1 24 . 1 1 3 3 DT H3' H 1 4.850 0.003 . 1 . . . A 3 DT H3' . 11437 1 25 . 1 1 3 3 DT H6 H 1 7.467 0.010 . 1 . . . A 3 DT H6 . 11437 1 26 . 1 1 4 4 DT H1' H 1 5.991 0.007 . 1 . . . A 4 DT H1' . 11437 1 27 . 1 1 4 4 DT H71 H 1 1.600 0.005 . 2 . . . . 4 THY H7 . 11437 1 28 . 1 1 4 4 DT H72 H 1 1.600 0.005 . 2 . . . . 4 THY H7 . 11437 1 29 . 1 1 4 4 DT H73 H 1 1.600 0.005 . 2 . . . . 4 THY H7 . 11437 1 30 . 1 1 4 4 DT H2' H 1 2.104 0.006 . 1 . . . A 4 DT H2' . 11437 1 31 . 1 1 4 4 DT H2'' H 1 2.479 0.008 . 1 . . . A 4 DT H2'' . 11437 1 32 . 1 1 4 4 DT H3 H 1 13.887 0.003 . 1 . . . A 4 DT H3 . 11437 1 33 . 1 1 4 4 DT H3' H 1 4.833 0.001 . 1 . . . A 4 DT H3' . 11437 1 34 . 1 1 4 4 DT H6 H 1 7.399 0.009 . 1 . . . A 4 DT H6 . 11437 1 35 . 1 1 5 5 DC H1' H 1 5.402 0.004 . 1 . . . A 5 DC H1' . 11437 1 36 . 1 1 5 5 DC H2' H 1 2.103 0.006 . 1 . . . A 5 DC H2' . 11437 1 37 . 1 1 5 5 DC H2'' H 1 2.336 0.005 . 1 . . . A 5 DC H2'' . 11437 1 38 . 1 1 5 5 DC H3' H 1 4.792 0.006 . 1 . . . A 5 DC H3' . 11437 1 39 . 1 1 5 5 DC H5 H 1 5.658 0.001 . 1 . . . A 5 DC H5 . 11437 1 40 . 1 1 5 5 DC H6 H 1 7.522 0.006 . 1 . . . A 5 DC H6 . 11437 1 41 . 1 1 5 5 DC H41 H 1 6.883 0.004 . 2 . . . A 5 DC H41 . 11437 1 42 . 1 1 5 5 DC H42 H 1 8.450 0.002 . 2 . . . A 5 DC H42 . 11437 1 43 . 1 1 6 6 DA H1' H 1 6.136 0.005 . 1 . . . A 6 DA H1' . 11437 1 44 . 1 1 6 6 DA H2 H 1 7.474 0.004 . 1 . . . A 6 DA H2 . 11437 1 45 . 1 1 6 6 DA H2' H 1 2.661 0.006 . 1 . . . A 6 DA H2' . 11437 1 46 . 1 1 6 6 DA H2'' H 1 2.797 0.011 . 1 . . . A 6 DA H2'' . 11437 1 47 . 1 1 6 6 DA H3' H 1 4.890 0.003 . 1 . . . A 6 DA H3' . 11437 1 48 . 1 1 6 6 DA H8 H 1 8.221 0.006 . 1 . . . A 6 DA H8 . 11437 1 49 . 1 1 6 6 DA H61 H 1 6.324 0.003 . 2 . . . A 6 DA H61 . 11437 1 50 . 1 1 6 6 DA H62 H 1 7.650 0.005 . 2 . . . A 6 DA H62 . 11437 1 51 . 1 1 7 7 JDT H1' H 1 5.858 0.004 . 1 . . . A 7 JDT H1' . 11437 1 52 . 1 1 7 7 JDT H2' H 1 2.397 0.006 . 1 . . . A 7 JDT H2' . 11437 1 53 . 1 1 7 7 JDT H2'' H 1 2.527 0.005 . 1 . . . A 7 JDT H2'' . 11437 1 54 . 1 1 7 7 JDT H72A H 1 1.481 0.001 . 2 . . . A 7 JDT H72A . 11437 1 55 . 1 1 7 7 JDT H72C H 1 2.401 0.004 . 2 . . . A 7 JDT H72C . 11437 1 56 . 1 1 7 7 JDT H3 H 1 13.317 0.004 . 1 . . . A 7 JDT HN3 . 11437 1 57 . 1 1 7 7 JDT H3' H 1 4.733 0.005 . 1 . . . A 7 JDT H3' . 11437 1 58 . 1 1 7 7 JDT H6 H 1 7.124 0.008 . 1 . . . A 7 JDT H6 . 11437 1 59 . 1 1 7 7 JDT H71 H 1 1.901 0.003 . 2 . . . A 7 JDT H71 . 11437 1 60 . 1 1 7 7 JDT H72 H 1 1.973 0.002 . 2 . . . A 7 JDT H72 . 11437 1 61 . 1 1 8 8 DT H1' H 1 5.272 0.004 . 1 . . . A 8 DT H1' . 11437 1 62 . 1 1 8 8 DT H2' H 1 1.900 0.006 . 1 . . . A 8 DT H2' . 11437 1 63 . 1 1 8 8 DT H2'' H 1 2.239 0.004 . 1 . . . A 8 DT H2'' . 11437 1 64 . 1 1 8 8 DT H3 H 1 13.571 0.002 . 1 . . . A 8 DT H3 . 11437 1 65 . 1 1 8 8 DT H3' H 1 4.562 0.004 . 1 . . . A 8 DT H3' . 11437 1 66 . 1 1 8 8 DT H6 H 1 7.100 0.008 . 1 . . . A 8 DT H6 . 11437 1 67 . 1 1 8 8 DT H71 H 1 1.975 0.002 . 2 . . . A 8 DT H71 . 11437 1 68 . 1 1 8 8 DT H72 H 1 2.530 0.001 . 2 . . . A 8 DT H72 . 11437 1 69 . 1 1 8 8 DT H73 H 1 2.530 0.001 . 2 . . . A 8 DT H72 . 11437 1 70 . 1 1 9 9 DA H1' H 1 6.141 0.007 . 1 . . . A 9 DA H1' . 11437 1 71 . 1 1 9 9 DA H2 H 1 7.185 0.002 . 1 . . . A 9 DA H2 . 11437 1 72 . 1 1 9 9 DA H2' H 1 2.501 0.008 . 1 . . . A 9 DA H2' . 11437 1 73 . 1 1 9 9 DA H2'' H 1 2.789 0.007 . 1 . . . A 9 DA H2'' . 11437 1 74 . 1 1 9 9 DA H8 H 1 8.146 0.005 . 1 . . . A 9 DA H8 . 11437 1 75 . 1 1 9 9 DA H61 H 1 6.133 0.000 . 2 . . . A 9 DA H61 . 11437 1 76 . 1 1 10 10 DC H1' H 1 5.486 0.003 . 1 . . . A 10 DC H1' . 11437 1 77 . 1 1 10 10 DC H2' H 1 2.068 0.005 . 1 . . . A 10 DC H2' . 11437 1 78 . 1 1 10 10 DC H2'' H 1 2.348 0.004 . 1 . . . A 10 DC H2'' . 11437 1 79 . 1 1 10 10 DC H3' H 1 4.789 0.005 . 1 . . . A 10 DC H3' . 11437 1 80 . 1 1 10 10 DC H5 H 1 5.161 0.002 . 1 . . . A 10 DC H5 . 11437 1 81 . 1 1 10 10 DC H6 H 1 7.238 0.006 . 1 . . . A 10 DC H6 . 11437 1 82 . 1 1 10 10 DC H41 H 1 6.562 0.001 . 2 . . . A 10 DC H41 . 11437 1 83 . 1 1 10 10 DC H42 H 1 8.090 0.005 . 2 . . . A 10 DC H42 . 11437 1 84 . 1 1 11 11 DA H1' H 1 6.155 0.008 . 1 . . . A 11 DA H1' . 11437 1 85 . 1 1 11 11 DA H2 H 1 7.485 0.002 . 1 . . . A 11 DA H2 . 11437 1 86 . 1 1 11 11 DA H2' H 1 2.571 0.007 . 1 . . . A 11 DA H2' . 11437 1 87 . 1 1 11 11 DA H2'' H 1 2.863 0.006 . 1 . . . A 11 DA H2'' . 11437 1 88 . 1 1 11 11 DA H8 H 1 8.148 0.006 . 1 . . . A 11 DA H8 . 11437 1 89 . 1 1 11 11 DA H61 H 1 6.141 0.007 . 2 . . . A 11 DA H61 . 11437 1 90 . 1 1 12 12 DT H1' H 1 5.911 0.007 . 1 . . . A 12 DT H1' . 11437 1 91 . 1 1 12 12 DT H71 H 1 1.276 0.004 . 2 . . . . 12 THY H7 . 11437 1 92 . 1 1 12 12 DT H72 H 1 1.276 0.004 . 2 . . . . 12 THY H7 . 11437 1 93 . 1 1 12 12 DT H73 H 1 1.276 0.004 . 2 . . . . 12 THY H7 . 11437 1 94 . 1 1 12 12 DT H2' H 1 2.048 0.007 . 1 . . . A 12 DT H2' . 11437 1 95 . 1 1 12 12 DT H2'' H 1 2.442 0.008 . 1 . . . A 12 DT H2'' . 11437 1 96 . 1 1 12 12 DT H3 H 1 13.617 0.002 . 1 . . . A 12 DT H3 . 11437 1 97 . 1 1 12 12 DT H3' H 1 4.817 0.004 . 1 . . . A 12 DT H3' . 11437 1 98 . 1 1 12 12 DT H6 H 1 7.200 0.007 . 1 . . . A 12 DT H6 . 11437 1 99 . 1 1 13 13 DC H1' H 1 5.985 0.003 . 1 . . . A 13 DC H1' . 11437 1 100 . 1 1 13 13 DC H2' H 1 2.158 0.005 . 1 . . . A 13 DC H2' . 11437 1 101 . 1 1 13 13 DC H2'' H 1 2.431 0.004 . 1 . . . A 13 DC H2'' . 11437 1 102 . 1 1 13 13 DC H3' H 1 4.780 0.006 . 1 . . . A 13 DC H3' . 11437 1 103 . 1 1 13 13 DC H5 H 1 5.606 0.002 . 1 . . . A 13 DC H5 . 11437 1 104 . 1 1 13 13 DC H6 H 1 7.536 0.004 . 1 . . . A 13 DC H6 . 11437 1 105 . 1 1 13 13 DC H41 H 1 6.900 0.002 . 2 . . . A 13 DC H41 . 11437 1 106 . 1 1 13 13 DC H42 H 1 8.377 0.003 . 2 . . . A 13 DC H42 . 11437 1 107 . 1 1 14 14 DC H1' H 1 6.184 0.002 . 1 . . . A 14 DC H1' . 11437 1 108 . 1 1 14 14 DC H2' H 1 2.211 0.003 . 1 . . . A 14 DC H2' . 11437 1 109 . 1 1 14 14 DC H2'' H 1 2.212 0.003 . 1 . . . A 14 DC H2'' . 11437 1 110 . 1 1 14 14 DC H3' H 1 4.516 0.002 . 1 . . . A 14 DC H3' . 11437 1 111 . 1 1 14 14 DC H5 H 1 5.716 0.012 . 1 . . . A 14 DC H5 . 11437 1 112 . 1 1 14 14 DC H6 H 1 7.609 0.004 . 1 . . . A 14 DC H6 . 11437 1 113 . 1 1 14 14 DC H41 H 1 7.131 0.002 . 2 . . . A 14 DC H41 . 11437 1 114 . 1 1 14 14 DC H42 H 1 8.213 0.001 . 2 . . . A 14 DC H42 . 11437 1 115 . 1 1 15 15 DG H1' H 1 5.603 0.007 . 1 . . . B 15 DG H1' . 11437 1 116 . 1 1 15 15 DG H2' H 1 2.486 0.007 . 1 . . . B 15 DG H2' . 11437 1 117 . 1 1 15 15 DG H2'' H 1 2.661 0.009 . 1 . . . B 15 DG H2'' . 11437 1 118 . 1 1 15 15 DG H3' H 1 4.774 0.004 . 1 . . . B 15 DG H3' . 11437 1 119 . 1 1 15 15 DG H8 H 1 7.804 0.003 . 1 . . . B 15 DG H8 . 11437 1 120 . 1 1 16 16 DG H1 H 1 12.759 0.002 . 1 . . . B 16 DG H1 . 11437 1 121 . 1 1 16 16 DG H1' H 1 5.619 0.008 . 1 . . . B 16 DG H1' . 11437 1 122 . 1 1 16 16 DG H2' H 1 2.665 0.003 . 1 . . . B 16 DG H2' . 11437 1 123 . 1 1 16 16 DG H2'' H 1 2.763 0.004 . 1 . . . B 16 DG H2'' . 11437 1 124 . 1 1 16 16 DG H3' H 1 4.986 0.004 . 1 . . . B 16 DG H3' . 11437 1 125 . 1 1 16 16 DG H8 H 1 7.800 0.004 . 1 . . . B 16 DG H8 . 11437 1 126 . 1 1 17 17 DA H1' H 1 6.252 0.004 . 1 . . . B 17 DA H1' . 11437 1 127 . 1 1 17 17 DA H2 H 1 7.807 0.003 . 1 . . . B 17 DA H2 . 11437 1 128 . 1 1 17 17 DA H2' H 1 2.621 0.007 . 1 . . . B 17 DA H2' . 11437 1 129 . 1 1 17 17 DA H2'' H 1 2.944 0.006 . 1 . . . B 17 DA H2'' . 11437 1 130 . 1 1 17 17 DA H3' H 1 5.004 0.004 . 1 . . . B 17 DA H3' . 11437 1 131 . 1 1 17 17 DA H8 H 1 8.203 0.005 . 1 . . . B 17 DA H8 . 11437 1 132 . 1 1 17 17 DA H61 H 1 5.945 0.000 . 2 . . . B 17 DA H61 . 11437 1 133 . 1 1 17 17 DA H62 H 1 7.602 0.001 . 2 . . . B 17 DA H62 . 11437 1 134 . 1 1 18 18 DT H1' H 1 5.737 0.004 . 1 . . . B 18 DT H1' . 11437 1 135 . 1 1 18 18 DT H71 H 1 1.337 0.005 . 2 . . . . 18 THY H7 . 11437 1 136 . 1 1 18 18 DT H72 H 1 1.337 0.005 . 2 . . . . 18 THY H7 . 11437 1 137 . 1 1 18 18 DT H73 H 1 1.337 0.005 . 2 . . . . 18 THY H7 . 11437 1 138 . 1 1 18 18 DT H2' H 1 2.071 0.006 . 1 . . . B 18 DT H2' . 11437 1 139 . 1 1 18 18 DT H2'' H 1 2.443 0.005 . 1 . . . B 18 DT H2'' . 11437 1 140 . 1 1 18 18 DT H3 H 1 13.312 0.003 . 1 . . . B 18 DT H3 . 11437 1 141 . 1 1 18 18 DT H3' H 1 4.856 0.005 . 1 . . . B 18 DT H3' . 11437 1 142 . 1 1 18 18 DT H6 H 1 7.055 0.007 . 1 . . . B 18 DT H6 . 11437 1 143 . 1 1 19 19 DG H1 H 1 12.283 0.001 . 1 . . . B 19 DG H1 . 11437 1 144 . 1 1 19 19 DG H1' H 1 5.869 0.007 . 1 . . . B 19 DG H1' . 11437 1 145 . 1 1 19 19 DG H2' H 1 2.521 0.004 . 1 . . . B 19 DG H2' . 11437 1 146 . 1 1 19 19 DG H2'' H 1 2.702 0.006 . 1 . . . B 19 DG H2'' . 11437 1 147 . 1 1 19 19 DG H3' H 1 4.862 0.006 . 1 . . . B 19 DG H3' . 11437 1 148 . 1 1 19 19 DG H8 H 1 7.721 0.007 . 1 . . . B 19 DG H8 . 11437 1 149 . 1 1 20 20 DT H1' H 1 5.819 0.004 . 1 . . . B 20 DT H1' . 11437 1 150 . 1 1 20 20 DT H71 H 1 1.352 0.005 . 2 . . . . 20 THY H7 . 11437 1 151 . 1 1 20 20 DT H72 H 1 1.352 0.005 . 2 . . . . 20 THY H7 . 11437 1 152 . 1 1 20 20 DT H73 H 1 1.352 0.005 . 2 . . . . 20 THY H7 . 11437 1 153 . 1 1 20 20 DT H2' H 1 2.172 0.006 . 1 . . . B 20 DT H2' . 11437 1 154 . 1 1 20 20 DT H2'' H 1 2.566 0.009 . 1 . . . B 20 DT H2'' . 11437 1 155 . 1 1 20 20 DT H3 H 1 13.297 0.004 . 1 . . . B 20 DT H3 . 11437 1 156 . 1 1 20 20 DT H3' H 1 4.856 0.003 . 1 . . . B 20 DT H3' . 11437 1 157 . 1 1 20 20 DT H6 H 1 7.219 0.009 . 1 . . . B 20 DT H6 . 11437 1 158 . 1 1 21 21 DA H1' H 1 5.979 0.006 . 1 . . . B 21 DA H1' . 11437 1 159 . 1 1 21 21 DA H2 H 1 6.226 0.004 . 1 . . . B 21 DA H2 . 11437 1 160 . 1 1 21 21 DA H2' H 1 2.589 0.008 . 1 . . . B 21 DA H2' . 11437 1 161 . 1 1 21 21 DA H2'' H 1 2.805 0.006 . 1 . . . B 21 DA H2'' . 11437 1 162 . 1 1 21 21 DA H3' H 1 4.974 0.005 . 1 . . . B 21 DA H3' . 11437 1 163 . 1 1 21 21 DA H8 H 1 8.137 0.006 . 1 . . . B 21 DA H8 . 11437 1 164 . 1 1 21 21 DA H61 H 1 6.314 0.012 . 2 . . . B 21 DA H61 . 11437 1 165 . 1 1 21 21 DA H62 H 1 7.719 0.005 . 2 . . . B 21 DA H62 . 11437 1 166 . 1 1 22 22 DA H1' H 1 6.034 0.007 . 1 . . . B 22 DA H1' . 11437 1 167 . 1 1 22 22 DA H2 H 1 7.497 0.001 . 1 . . . B 22 DA H2 . 11437 1 168 . 1 1 22 22 DA H2' H 1 2.358 0.005 . 1 . . . B 22 DA H2' . 11437 1 169 . 1 1 22 22 DA H2'' H 1 2.703 0.006 . 1 . . . B 22 DA H2'' . 11437 1 170 . 1 1 22 22 DA H3' H 1 4.868 0.002 . 1 . . . B 22 DA H3' . 11437 1 171 . 1 1 22 22 DA H8 H 1 7.806 0.006 . 1 . . . B 22 DA H8 . 11437 1 172 . 1 1 22 22 DA H61 H 1 6.145 0.004 . 2 . . . B 22 DA H61 . 11437 1 173 . 1 1 22 22 DA H62 H 1 7.221 0.002 . 2 . . . B 22 DA H62 . 11437 1 174 . 1 1 23 23 DT H1' H 1 5.603 0.004 . 1 . . . B 23 DT H1' . 11437 1 175 . 1 1 23 23 DT H71 H 1 1.188 0.005 . 2 . . . . 23 THY H7 . 11437 1 176 . 1 1 23 23 DT H72 H 1 1.188 0.005 . 2 . . . . 23 THY H7 . 11437 1 177 . 1 1 23 23 DT H73 H 1 1.188 0.005 . 2 . . . . 23 THY H7 . 11437 1 178 . 1 1 23 23 DT H2' H 1 1.827 0.006 . 1 . . . B 23 DT H2' . 11437 1 179 . 1 1 23 23 DT H2'' H 1 2.224 0.006 . 1 . . . B 23 DT H2'' . 11437 1 180 . 1 1 23 23 DT H3 H 1 13.340 0.005 . 1 . . . B 23 DT H3 . 11437 1 181 . 1 1 23 23 DT H3' H 1 4.769 0.004 . 1 . . . B 23 DT H3' . 11437 1 182 . 1 1 23 23 DT H6 H 1 6.963 0.007 . 1 . . . B 23 DT H6 . 11437 1 183 . 1 1 24 24 DG H1 H 1 12.283 0.001 . 1 . . . B 24 DG H1 . 11437 1 184 . 1 1 24 24 DG H1' H 1 5.315 0.007 . 1 . . . B 24 DG H1' . 11437 1 185 . 1 1 24 24 DG H2' H 1 2.552 0.005 . 1 . . . B 24 DG H2' . 11437 1 186 . 1 1 24 24 DG H2'' H 1 2.624 0.008 . 1 . . . B 24 DG H2'' . 11437 1 187 . 1 1 24 24 DG H8 H 1 7.753 0.005 . 1 . . . B 24 DG H8 . 11437 1 188 . 1 1 25 25 DA H1' H 1 5.805 0.010 . 1 . . . B 25 DA H1' . 11437 1 189 . 1 1 25 25 DA H2 H 1 7.214 0.001 . 1 . . . B 25 DA H2 . 11437 1 190 . 1 1 25 25 DA H2' H 1 2.611 0.007 . 1 . . . B 25 DA H2' . 11437 1 191 . 1 1 25 25 DA H2'' H 1 2.791 0.007 . 1 . . . B 25 DA H2'' . 11437 1 192 . 1 1 25 25 DA H3' H 1 5.004 0.003 . 1 . . . B 25 DA H3' . 11437 1 193 . 1 1 25 25 DA H8 H 1 8.102 0.006 . 1 . . . B 25 DA H8 . 11437 1 194 . 1 1 25 25 DA H61 H 1 5.798 0.000 . 2 . . . B 25 DA H61 . 11437 1 195 . 1 1 26 26 DA H1' H 1 5.831 0.008 . 1 . . . B 26 DA H1' . 11437 1 196 . 1 1 26 26 DA H2 H 1 7.551 0.001 . 1 . . . B 26 DA H2 . 11437 1 197 . 1 1 26 26 DA H2' H 1 2.489 0.005 . 1 . . . B 26 DA H2' . 11437 1 198 . 1 1 26 26 DA H2'' H 1 2.722 0.007 . 1 . . . B 26 DA H2'' . 11437 1 199 . 1 1 26 26 DA H3' H 1 4.970 0.005 . 1 . . . B 26 DA H3' . 11437 1 200 . 1 1 26 26 DA H8 H 1 7.983 0.004 . 1 . . . B 26 DA H8 . 11437 1 201 . 1 1 26 26 DA H61 H 1 5.936 0.004 . 2 . . . B 26 DA H61 . 11437 1 202 . 1 1 26 26 DA H62 H 1 7.641 0.000 . 2 . . . B 26 DA H62 . 11437 1 203 . 1 1 27 27 DG H1 H 1 12.885 0.001 . 1 . . . B 27 DG H1 . 11437 1 204 . 1 1 27 27 DG H1' H 1 5.525 0.005 . 1 . . . B 27 DG H1' . 11437 1 205 . 1 1 27 27 DG H2' H 1 2.418 0.008 . 1 . . . B 27 DG H2' . 11437 1 206 . 1 1 27 27 DG H2'' H 1 2.577 0.007 . 1 . . . B 27 DG H2'' . 11437 1 207 . 1 1 27 27 DG H3' H 1 4.876 0.002 . 1 . . . B 27 DG H3' . 11437 1 208 . 1 1 27 27 DG H8 H 1 7.534 0.005 . 1 . . . B 27 DG H8 . 11437 1 209 . 1 1 28 28 DG H1' H 1 6.060 0.005 . 1 . . . B 28 DG H1' . 11437 1 210 . 1 1 28 28 DG H2' H 1 2.362 0.006 . 1 . . . B 28 DG H2' . 11437 1 211 . 1 1 28 28 DG H2'' H 1 2.271 0.004 . 1 . . . B 28 DG H2'' . 11437 1 212 . 1 1 28 28 DG H3' H 1 4.547 0.003 . 1 . . . B 28 DG H3' . 11437 1 213 . 1 1 28 28 DG H8 H 1 7.614 0.005 . 1 . . . B 28 DG H8 . 11437 1 stop_ save_