data_34062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34062 _Entry.Title ; Quadruplex with flipped tetrad formed by a human telomeric sequence ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-08 _Entry.Accession_date 2016-11-08 _Entry.Last_release_date 2017-04-11 _Entry.Original_release_date 2017-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 J. Dickerhoff J. . . . 34062 2 L. Haase L. . . . 34062 3 W. Langel W. . . . 34062 4 K. Weisz K. . . . 34062 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34062 G-quadruplex . 34062 'human telomere' . 34062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 46 34062 '1H chemical shifts' 197 34062 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 . . 2017-06-27 2016-11-08 update BMRB 'update entry citation' 34062 1 . . 2017-04-13 2016-11-08 original author 'original release' 34062 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34063 'Quadruplex with flipped tetrad formed by an artificial sequence' 34062 PDB 5MBR 'BMRB Entry Tracking System' 34062 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acschembio.6b01096 _Citation.PubMed_ID 28318229 _Citation.Full_citation . _Citation.Title ; Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1554-8937 _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 1308 _Citation.Page_last 1315 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Dickerhoff J. . . . 34062 1 2 L. Haase L. . . . 34062 1 3 W. Langel W. . . . 34062 1 4 K. Weisz K. . . . 34062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34062 _Assembly.ID 1 _Assembly.Name "G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine" _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 34062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; TTXGGTTAXGGTTAGGGTTA XGGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7645.855 _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 . DT . 34062 1 2 . DT . 34062 1 3 . GF2 . 34062 1 4 . DG . 34062 1 5 . DG . 34062 1 6 . DT . 34062 1 7 . DT . 34062 1 8 . DA . 34062 1 9 . GF2 . 34062 1 10 . DG . 34062 1 11 . DG . 34062 1 12 . DT . 34062 1 13 . DT . 34062 1 14 . DA . 34062 1 15 . DG . 34062 1 16 . DG . 34062 1 17 . DG . 34062 1 18 . DT . 34062 1 19 . DT . 34062 1 20 . DA . 34062 1 21 . GF2 . 34062 1 22 . DG . 34062 1 23 . DG . 34062 1 24 . DA . 34062 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 34062 1 . DT 2 2 34062 1 . GF2 3 3 34062 1 . DG 4 4 34062 1 . DG 5 5 34062 1 . DT 6 6 34062 1 . DT 7 7 34062 1 . DA 8 8 34062 1 . GF2 9 9 34062 1 . DG 10 10 34062 1 . DG 11 11 34062 1 . DT 12 12 34062 1 . DT 13 13 34062 1 . DA 14 14 34062 1 . DG 15 15 34062 1 . DG 16 16 34062 1 . DG 17 17 34062 1 . DT 18 18 34062 1 . DT 19 19 34062 1 . DA 20 20 34062 1 . GF2 21 21 34062 1 . DG 22 22 34062 1 . DG 23 23 34062 1 . DA 24 24 34062 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 34062 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34062 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 34062 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . telomere 34062 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GF2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GF2 _Chem_comp.Entry_ID 34062 _Chem_comp.ID GF2 _Chem_comp.Provenance PDB _Chem_comp.Name "2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)" _Chem_comp.Type 'DNA LINKING' _Chem_comp.BMRB_code GF2 _Chem_comp.PDB_code GF2 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GF2 _Chem_comp.Number_atoms_all 37 _Chem_comp.Number_atoms_nh 24 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1 ; _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 DG _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H13 F N5 O7 P' _Chem_comp.Formula_weight 365.212 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2KWG _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4-,6-,9-/m1/s1 ; InChI InChI 1.03 34062 GF2 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3F SMILES_CANONICAL CACTVS 3.370 34062 GF2 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F SMILES CACTVS 3.370 34062 GF2 O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(F)C3O SMILES ACDLabs 12.01 34062 GF2 ZTDPJNQLNRZPCT-DXTOWSMRSA-N InChIKey InChI 1.03 34062 GF2 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.0 34062 GF2 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 34062 GF2 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-2'-fluoroguanosine 5'-(dihydrogen phosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 34062 GF2 '[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 34062 GF2 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 F F F F . F . . N 0 . . . 1 no no . . . . 7.796 . 6.027 . 31.627 . -1.141 -2.891 -0.423 1 . 34062 GF2 P P P P . P . . N 0 . . . 1 no no . . . . 1.839 . 9.212 . 31.145 . 5.130 0.916 0.312 2 . 34062 GF2 N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 4.432 . 0.666 . 32.495 . -5.558 0.676 0.446 3 . 34062 GF2 C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 5.640 . 1.262 . 32.636 . -4.923 -0.404 0.982 4 . 34062 GF2 N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 6.684 . 0.481 . 32.716 . -5.652 -1.317 1.702 5 . 34062 GF2 N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 5.844 . 2.577 . 32.662 . -3.632 -0.597 0.828 6 . 34062 GF2 C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 4.686 . 3.295 . 32.544 . -2.881 0.266 0.134 7 . 34062 GF2 C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 3.409 . 2.793 . 32.413 . -3.476 1.395 -0.441 8 . 34062 GF2 C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 3.243 . 1.360 . 32.390 . -4.867 1.588 -0.272 9 . 34062 GF2 O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 2.212 . 0.695 . 32.284 . -5.427 2.557 -0.756 10 . 34062 GF2 N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 2.485 . 3.843 . 32.312 . -2.497 2.086 -1.076 11 . 34062 GF2 C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 3.229 . 4.917 . 32.370 . -1.365 1.463 -0.928 12 . 34062 GF2 N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 4.572 . 4.667 . 32.522 . -1.553 0.332 -0.187 13 . 34062 GF2 C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 5.701 . 5.624 . 32.642 . -0.520 -0.635 0.194 14 . 34062 GF2 OP2 OP2 OP2 OP2 . O . . N 0 . . . 1 no no . . . . 2.201 . 10.350 . 30.259 . 6.264 -0.217 0.162 15 . 34062 GF2 C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 6.477 . 5.706 . 31.328 . -0.429 -1.766 -0.854 16 . 34062 GF2 OP1 OP1 OP1 OP1 . O . . N 0 . . . 1 no no . . . . 0.707 . 8.338 . 30.744 . 5.092 1.742 -0.915 17 . 34062 GF2 C3' C3' C3' C3' . C . . R 0 . . . 1 no no . . . . 5.744 . 6.833 . 30.589 . 1.081 -2.080 -0.937 18 . 34062 GF2 O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 6.512 . 7.413 . 29.545 . 1.334 -3.433 -0.551 19 . 34062 GF2 C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 5.516 . 7.774 . 31.781 . 1.724 -1.102 0.071 20 . 34062 GF2 O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 5.222 . 6.940 . 32.903 . 0.783 -0.012 0.179 21 . 34062 GF2 C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 4.428 . 8.835 . 31.553 . 3.066 -0.595 -0.461 22 . 34062 GF2 O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 3.141 . 8.272 . 31.330 . 3.698 0.215 0.532 23 . 34062 GF2 OP3 OP3 OP3 OP3 . O . . N 0 . . . 1 no yes . . . . 1.184 . 10.044 . 32.501 . 5.470 1.851 1.578 24 . 34062 GF2 HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 4.399 . -0.333 . 32.465 . -6.513 0.789 0.578 25 . 34062 GF2 HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 7.599 . 0.876 . 32.794 . -6.605 -1.188 1.824 26 . 34062 GF2 HN2A HN2A HN2A HN2A . H . . N 0 . . . 0 no no . . . . 6.568 . -0.512 . 32.699 . -5.213 -2.091 2.089 27 . 34062 GF2 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 2.823 . 5.915 . 32.304 . -0.419 1.791 -1.332 28 . 34062 GF2 H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 6.339 . 5.263 . 33.462 . -0.733 -1.046 1.181 29 . 34062 GF2 HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 no no . . . . 1.620 . 10.364 . 29.507 . 6.345 -0.797 0.932 30 . 34062 GF2 H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 6.514 . 4.784 . 30.729 . -0.804 -1.424 -1.818 31 . 34062 GF2 H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 4.836 . 6.534 . 30.044 . 1.456 -1.893 -1.943 32 . 34062 GF2 HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 6.009 . 8.101 . 29.126 . 0.903 -4.090 -1.115 33 . 34062 GF2 H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 6.423 . 8.374 . 31.946 . 1.857 -1.586 1.038 34 . 34062 GF2 H5' H5' H5' H5' . H . . N 0 . . . 1 no no . . . . 4.376 . 9.474 . 32.447 . 3.707 -1.444 -0.698 35 . 34062 GF2 H5'A H5'A H5'A H5'A . H . . N 0 . . . 0 no no . . . . 4.704 . 9.428 . 30.669 . 2.900 -0.003 -1.361 36 . 34062 GF2 HOP3 HOP3 HOP3 HOP3 . H . . N 0 . . . 0 no yes . . . . 0.293 . 9.750 . 32.653 . 6.321 2.306 1.513 37 . 34062 GF2 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 . 34062 GF2 2 . SING N1 C2 no N 2 . 34062 GF2 3 . DOUB C2 N3 no N 3 . 34062 GF2 4 . SING C2 N2 no N 4 . 34062 GF2 5 . SING C4 N3 no N 5 . 34062 GF2 6 . DOUB C5 C4 yes N 6 . 34062 GF2 7 . SING C6 N1 no N 7 . 34062 GF2 8 . SING C6 C5 no N 8 . 34062 GF2 9 . DOUB O6 C6 no N 9 . 34062 GF2 10 . SING N7 C5 yes N 10 . 34062 GF2 11 . DOUB N7 C8 yes N 11 . 34062 GF2 12 . SING C8 N9 yes N 12 . 34062 GF2 13 . SING N9 C4 yes N 13 . 34062 GF2 14 . SING N9 C1' no N 14 . 34062 GF2 15 . SING C1' O4' no N 15 . 34062 GF2 16 . SING OP2 P no N 16 . 34062 GF2 17 . SING C2' F no N 17 . 34062 GF2 18 . SING C2' C1' no N 18 . 34062 GF2 19 . DOUB OP1 P no N 19 . 34062 GF2 20 . SING C3' C2' no N 20 . 34062 GF2 21 . SING C3' C4' no N 21 . 34062 GF2 22 . SING O3' C3' no N 22 . 34062 GF2 23 . SING C4' O4' no N 23 . 34062 GF2 24 . SING C5' C4' no N 24 . 34062 GF2 25 . SING O5' C5' no N 25 . 34062 GF2 26 . SING P OP3 no N 26 . 34062 GF2 27 . SING N1 HN1 no N 27 . 34062 GF2 28 . SING N2 HN2 no N 28 . 34062 GF2 29 . SING N2 HN2A no N 29 . 34062 GF2 30 . SING C8 H8 no N 30 . 34062 GF2 31 . SING C1' H1' no N 31 . 34062 GF2 32 . SING OP2 HOP2 no N 32 . 34062 GF2 33 . SING C2' H2' no N 33 . 34062 GF2 34 . SING C3' H3' no N 34 . 34062 GF2 35 . SING O3' HO3' no N 35 . 34062 GF2 36 . SING C4' H4' no N 36 . 34062 GF2 37 . SING C5' H5' no N 37 . 34062 GF2 38 . SING C5' H5'A no N 38 . 34062 GF2 39 . SING OP3 HOP3 no N 39 . 34062 GF2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34062 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.59 mM DNA, 10.0 mM potassium phosphate, 90% H2O/10% D2O' _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 'natural abundance' . . 1 $entity_1 . . 0.59 . . mM . . . . 34062 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 34062 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34062 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.59 mM DNA, 10.0 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DNA 'natural abundance' . . 1 $entity_1 . . 0.59 . . mM . . . . 34062 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 34062 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 34062 _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' 10 . mM 34062 1 pH 7.0 . pH 34062 1 pressure 1 . atm 34062 1 temperature 298 . K 34062 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34062 _Software.ID 1 _Software.Name AMBER _Software.Version 14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34062 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34062 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34062 _Software.ID 2 _Software.Name Analysis _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34062 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34062 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34062 _Software.ID 3 _Software.Name Analysis _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34062 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34062 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34062 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.39 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34062 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34062 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 34062 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 34062 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 34062 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34062 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34062 1 3 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34062 1 4 '2D HMBC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34062 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34062 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34062 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34062 1 H 1 water protons . . . . ppm 4.78 internal direct 1.0 . . . . . 34062 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34062 _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 $chem_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' . . . 34062 1 2 '2D 1H-13C HSQC aromatic' . . . 34062 1 3 '2D DQF-COSY' . . . 34062 1 4 '2D HMBC' . . . 34062 1 5 '2D 1H-1H NOESY' . . . 34062 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 DT H1' H 1 5.471 0.004 . 1 . 350 . A 1 DT H1' . 34062 1 2 . 1 1 1 1 DT H2' H 1 1.753 0.004 . 1 . 352 . A 1 DT H2' . 34062 1 3 . 1 1 1 1 DT H2'' H 1 2.267 0.004 . 1 . 353 . A 1 DT H2'' . 34062 1 4 . 1 1 1 1 DT H3' H 1 4.534 0.003 . 1 . 498 . A 1 DT H3' . 34062 1 5 . 1 1 1 1 DT H4' H 1 3.979 0.002 . 1 . 526 . A 1 DT H4' . 34062 1 6 . 1 1 1 1 DT H5' H 1 3.432 0.005 . 2 . 527 . A 1 DT H5' . 34062 1 7 . 1 1 1 1 DT H5'' H 1 3.432 0.005 . 2 . 528 . A 1 DT H5'' . 34062 1 8 . 1 1 1 1 DT H6 H 1 7.109 0.002 . 1 . 351 . A 1 DT H6 . 34062 1 9 . 1 1 1 1 DT H71 H 1 1.306 0.002 . 1 . 347 . A 1 DT H71 . 34062 1 10 . 1 1 1 1 DT H72 H 1 1.306 0.002 . 1 . 347 . A 1 DT H72 . 34062 1 11 . 1 1 1 1 DT H73 H 1 1.306 0.002 . 1 . 347 . A 1 DT H73 . 34062 1 12 . 1 1 1 1 DT C4' C 13 88.488 . . 1 . 545 . A 1 DT C4' . 34062 1 13 . 1 1 1 1 DT C5' C 13 63.912 . . 1 . 548 . A 1 DT C5' . 34062 1 14 . 1 1 1 1 DT C6 C 13 138.528 . . 1 . 412 . A 1 DT C6 . 34062 1 15 . 1 1 2 2 DT H1' H 1 5.661 0.003 . 1 . 431 . A 2 DT H1' . 34062 1 16 . 1 1 2 2 DT H2' H 1 2.552 0.006 . 1 . 433 . A 2 DT H2' . 34062 1 17 . 1 1 2 2 DT H2'' H 1 2.436 0.004 . 1 . 432 . A 2 DT H2'' . 34062 1 18 . 1 1 2 2 DT H3' H 1 4.739 0.002 . 1 . 522 . A 2 DT H3' . 34062 1 19 . 1 1 2 2 DT H4' H 1 4.176 0.003 . 1 . 559 . A 2 DT H4' . 34062 1 20 . 1 1 2 2 DT H5' H 1 3.901 0.005 . 2 . 557 . A 2 DT H5' . 34062 1 21 . 1 1 2 2 DT H5'' H 1 3.790 0.003 . 2 . 558 . A 2 DT H5'' . 34062 1 22 . 1 1 2 2 DT H6 H 1 7.187 0.003 . 1 . 429 . A 2 DT H6 . 34062 1 23 . 1 1 2 2 DT H71 H 1 1.555 0.003 . 1 . 428 . A 2 DT H71 . 34062 1 24 . 1 1 2 2 DT H72 H 1 1.555 0.003 . 1 . 428 . A 2 DT H72 . 34062 1 25 . 1 1 2 2 DT H73 H 1 1.555 0.003 . 1 . 428 . A 2 DT H73 . 34062 1 26 . 1 1 2 2 DT C6 C 13 142.350 . . 1 . 430 . A 2 DT C6 . 34062 1 27 . 1 1 3 3 GF2 H1' H 1 5.883 0.003 . 1 . 362 . A 3 GF2 H1' . 34062 1 28 . 1 1 3 3 GF2 H2' H 1 5.640 0.005 . 1 . 363 . A 3 GF2 H2' . 34062 1 29 . 1 1 3 3 GF2 H3' H 1 4.890 0.004 . 1 . 507 . A 3 GF2 H3' . 34062 1 30 . 1 1 3 3 GF2 H4' H 1 4.573 0.002 . 1 . 553 . A 3 GF2 H4' . 34062 1 31 . 1 1 3 3 GF2 H8 H 1 8.088 0.003 . 1 . 372 . A 3 GF2 H8 . 34062 1 32 . 1 1 3 3 GF2 C8 C 13 137.250 . . 1 . 434 . A 3 GF2 C8 . 34062 1 33 . 1 1 3 3 GF2 HN1 H 1 11.898 0.002 . 1 . 368 . A 3 GF2 HN1 . 34062 1 34 . 1 1 4 4 DG H1 H 1 11.527 0.004 . 1 . 369 . A 4 DG H1 . 34062 1 35 . 1 1 4 4 DG H1' H 1 6.041 0.003 . 1 . 387 . A 4 DG H1' . 34062 1 36 . 1 1 4 4 DG H2' H 1 2.427 0.004 . 1 . 388 . A 4 DG H2' . 34062 1 37 . 1 1 4 4 DG H2'' H 1 2.483 0.004 . 1 . 389 . A 4 DG H2'' . 34062 1 38 . 1 1 4 4 DG H3' H 1 4.778 0.005 . 1 . 508 . A 4 DG H3' . 34062 1 39 . 1 1 4 4 DG H4' H 1 4.333 0.003 . 1 . 551 . A 4 DG H4' . 34062 1 40 . 1 1 4 4 DG H8 H 1 7.554 0.003 . 1 . 375 . A 4 DG H8 . 34062 1 41 . 1 1 4 4 DG C8 C 13 137.200 . . 1 . 483 . A 4 DG C8 . 34062 1 42 . 1 1 5 5 DG H1 H 1 11.098 0.004 . 1 . 370 . A 5 DG H1 . 34062 1 43 . 1 1 5 5 DG H1' H 1 6.368 0.004 . 1 . 390 . A 5 DG H1' . 34062 1 44 . 1 1 5 5 DG H2' H 1 2.622 0.004 . 1 . 392 . A 5 DG H2' . 34062 1 45 . 1 1 5 5 DG H2'' H 1 2.565 0.002 . 1 . 391 . A 5 DG H2'' . 34062 1 46 . 1 1 5 5 DG H3' H 1 4.973 0.004 . 1 . 460 . A 5 DG H3' . 34062 1 47 . 1 1 5 5 DG H4' H 1 4.426 0.003 . 1 . 554 . A 5 DG H4' . 34062 1 48 . 1 1 5 5 DG H5' H 1 4.104 . . 2 . 604 . A 5 DG H5' . 34062 1 49 . 1 1 5 5 DG H5'' H 1 3.938 0.001 . 2 . 605 . A 5 DG H5'' . 34062 1 50 . 1 1 5 5 DG H8 H 1 7.916 0.003 . 1 . 377 . A 5 DG H8 . 34062 1 51 . 1 1 5 5 DG C1' C 13 85.427 . . 1 . 534 . A 5 DG C1' . 34062 1 52 . 1 1 5 5 DG C8 C 13 137.662 . . 1 . 450 . A 5 DG C8 . 34062 1 53 . 1 1 6 6 DT H1' H 1 6.106 0.003 . 1 . 453 . A 6 DT H1' . 34062 1 54 . 1 1 6 6 DT H2' H 1 1.957 0.002 . 1 . 454 . A 6 DT H2' . 34062 1 55 . 1 1 6 6 DT H2'' H 1 2.314 0.003 . 1 . 455 . A 6 DT H2'' . 34062 1 56 . 1 1 6 6 DT H3' H 1 4.809 0.003 . 1 . 556 . A 6 DT H3' . 34062 1 57 . 1 1 6 6 DT H4' H 1 4.227 0.002 . 1 . 567 . A 6 DT H4' . 34062 1 58 . 1 1 6 6 DT H6 H 1 7.561 0.003 . 1 . 451 . A 6 DT H6 . 34062 1 59 . 1 1 6 6 DT H71 H 1 1.959 0.003 . 1 . 452 . A 6 DT H71 . 34062 1 60 . 1 1 6 6 DT H72 H 1 1.959 0.003 . 1 . 452 . A 6 DT H72 . 34062 1 61 . 1 1 6 6 DT H73 H 1 1.959 0.003 . 1 . 452 . A 6 DT H73 . 34062 1 62 . 1 1 6 6 DT C1' C 13 87.718 . . 1 . 538 . A 6 DT C1' . 34062 1 63 . 1 1 6 6 DT C6 C 13 139.538 . . 1 . 456 . A 6 DT C6 . 34062 1 64 . 1 1 7 7 DT H1' H 1 6.347 0.003 . 1 . 501 . A 7 DT H1' . 34062 1 65 . 1 1 7 7 DT H2' H 1 2.493 0.003 . 1 . 502 . A 7 DT H2' . 34062 1 66 . 1 1 7 7 DT H2'' H 1 2.493 0.003 . 1 . 509 . A 7 DT H2'' . 34062 1 67 . 1 1 7 7 DT H3' H 1 4.876 0.003 . 1 . 510 . A 7 DT H3' . 34062 1 68 . 1 1 7 7 DT H4' H 1 4.322 0.002 . 1 . 521 . A 7 DT H4' . 34062 1 69 . 1 1 7 7 DT H5' H 1 4.154 0.002 . 2 . 599 . A 7 DT H5' . 34062 1 70 . 1 1 7 7 DT H5'' H 1 4.072 0.004 . 2 . 600 . A 7 DT H5'' . 34062 1 71 . 1 1 7 7 DT H6 H 1 7.694 0.003 . 1 . 437 . A 7 DT H6 . 34062 1 72 . 1 1 7 7 DT H71 H 1 1.972 0.002 . 1 . 500 . A 7 DT H71 . 34062 1 73 . 1 1 7 7 DT H72 H 1 1.972 0.002 . 1 . 500 . A 7 DT H72 . 34062 1 74 . 1 1 7 7 DT H73 H 1 1.972 0.002 . 1 . 500 . A 7 DT H73 . 34062 1 75 . 1 1 7 7 DT C1' C 13 88.002 . . 1 . 535 . A 7 DT C1' . 34062 1 76 . 1 1 7 7 DT C6 C 13 139.841 . . 1 . 499 . A 7 DT C6 . 34062 1 77 . 1 1 8 8 DA H1' H 1 6.554 0.004 . 1 . 423 . A 8 DA H1' . 34062 1 78 . 1 1 8 8 DA H2 H 1 8.272 0.003 . 1 . 413 . A 8 DA H2 . 34062 1 79 . 1 1 8 8 DA H2' H 1 3.057 0.004 . 1 . 425 . A 8 DA H2' . 34062 1 80 . 1 1 8 8 DA H2'' H 1 2.864 0.004 . 1 . 424 . A 8 DA H2'' . 34062 1 81 . 1 1 8 8 DA H3' H 1 5.169 0.004 . 1 . 446 . A 8 DA H3' . 34062 1 82 . 1 1 8 8 DA H4' H 1 4.496 0.002 . 1 . 518 . A 8 DA H4' . 34062 1 83 . 1 1 8 8 DA H5' H 1 4.201 0.001 . 2 . 602 . A 8 DA H5' . 34062 1 84 . 1 1 8 8 DA H5'' H 1 4.137 0.004 . 2 . 603 . A 8 DA H5'' . 34062 1 85 . 1 1 8 8 DA H8 H 1 8.502 0.003 . 1 . 435 . A 8 DA H8 . 34062 1 86 . 1 1 8 8 DA C1' C 13 86.166 . . 1 . 532 . A 8 DA C1' . 34062 1 87 . 1 1 8 8 DA C2 C 13 155.455 . . 1 . 414 . A 8 DA C2 . 34062 1 88 . 1 1 8 8 DA C2' C 13 40.665 0.006 . 1 . 549 . A 8 DA C2' . 34062 1 89 . 1 1 8 8 DA C8 C 13 142.572 . . 1 . 436 . A 8 DA C8 . 34062 1 90 . 1 1 9 9 GF2 H1' H 1 6.006 0.004 . 1 . 469 . A 9 GF2 H1' . 34062 1 91 . 1 1 9 9 GF2 H2' H 1 5.573 0.004 . 1 . 356 . A 9 GF2 H2' . 34062 1 92 . 1 1 9 9 GF2 H3' H 1 4.912 0.005 . 1 . 506 . A 9 GF2 H3' . 34062 1 93 . 1 1 9 9 GF2 H4' H 1 4.538 0.003 . 1 . 530 . A 9 GF2 H4' . 34062 1 94 . 1 1 9 9 GF2 H5' H 1 4.236 0.001 . 1 . 606 . A 9 GF2 H5' . 34062 1 95 . 1 1 9 9 GF2 H8 H 1 8.111 0.003 . 1 . 355 . A 9 GF2 H8 . 34062 1 96 . 1 1 9 9 GF2 C2 C 13 93.504 . . 1 . 531 . A 9 GF2 C2 . 34062 1 97 . 1 1 9 9 GF2 C8 C 13 137.740 . . 1 . 475 . A 9 GF2 C8 . 34062 1 98 . 1 1 9 9 GF2 HN1 H 1 11.697 0.002 . 1 . 461 . A 9 GF2 HN1 . 34062 1 99 . 1 1 10 10 DG H1 H 1 11.637 0.003 . 1 . 379 . A 10 DG H1 . 34062 1 100 . 1 1 10 10 DG H1' H 1 5.984 0.004 . 1 . 384 . A 10 DG H1' . 34062 1 101 . 1 1 10 10 DG H2' H 1 2.561 0.005 . 1 . 385 . A 10 DG H2' . 34062 1 102 . 1 1 10 10 DG H2'' H 1 2.669 0.004 . 1 . 386 . A 10 DG H2'' . 34062 1 103 . 1 1 10 10 DG H3' H 1 5.023 0.004 . 1 . 457 . A 10 DG H3' . 34062 1 104 . 1 1 10 10 DG H4' H 1 4.444 0.002 . 1 . 520 . A 10 DG H4' . 34062 1 105 . 1 1 10 10 DG H8 H 1 7.739 0.003 . 1 . 361 . A 10 DG H8 . 34062 1 106 . 1 1 10 10 DG C4' C 13 86.666 . . 1 . 543 . A 10 DG C4' . 34062 1 107 . 1 1 10 10 DG C8 C 13 137.640 . . 1 . 447 . A 10 DG C8 . 34062 1 108 . 1 1 11 11 DG H1 H 1 11.434 0.003 . 1 . 490 . A 11 DG H1 . 34062 1 109 . 1 1 11 11 DG H1' H 1 6.317 0.004 . 1 . 381 . A 11 DG H1' . 34062 1 110 . 1 1 11 11 DG H2' H 1 2.712 0.004 . 1 . 383 . A 11 DG H2' . 34062 1 111 . 1 1 11 11 DG H2'' H 1 2.622 0.003 . 1 . 382 . A 11 DG H2'' . 34062 1 112 . 1 1 11 11 DG H3' H 1 5.065 0.004 . 1 . 458 . A 11 DG H3' . 34062 1 113 . 1 1 11 11 DG H4' H 1 4.559 0.002 . 1 . 519 . A 11 DG H4' . 34062 1 114 . 1 1 11 11 DG H8 H 1 7.967 0.003 . 1 . 371 . A 11 DG H8 . 34062 1 115 . 1 1 11 11 DG C1' C 13 84.539 . . 1 . 533 . A 11 DG C1' . 34062 1 116 . 1 1 11 11 DG C8 C 13 137.082 . . 1 . 448 . A 11 DG C8 . 34062 1 117 . 1 1 12 12 DT H1' H 1 6.244 0.005 . 1 . 541 . A 12 DT H1' . 34062 1 118 . 1 1 12 12 DT H2' H 1 2.354 0.003 . 1 . 479 . A 12 DT H2' . 34062 1 119 . 1 1 12 12 DT H2'' H 1 2.489 0.004 . 1 . 478 . A 12 DT H2'' . 34062 1 120 . 1 1 12 12 DT H3' H 1 4.733 0.004 . 1 . 515 . A 12 DT H3' . 34062 1 121 . 1 1 12 12 DT H4' H 1 4.246 0.006 . 1 . 516 . A 12 DT H4' . 34062 1 122 . 1 1 12 12 DT H6 H 1 7.573 0.003 . 1 . 476 . A 12 DT H6 . 34062 1 123 . 1 1 12 12 DT H71 H 1 1.856 0.002 . 1 . 349 . A 12 DT H71 . 34062 1 124 . 1 1 12 12 DT H72 H 1 1.856 0.002 . 1 . 349 . A 12 DT H72 . 34062 1 125 . 1 1 12 12 DT H73 H 1 1.856 0.002 . 1 . 349 . A 12 DT H73 . 34062 1 126 . 1 1 12 12 DT C1' C 13 87.658 . . 1 . 542 . A 12 DT C1' . 34062 1 127 . 1 1 12 12 DT C6 C 13 139.885 . . 1 . 477 . A 12 DT C6 . 34062 1 128 . 1 1 13 13 DT H1' H 1 5.418 0.006 . 1 . 420 . A 13 DT H1' . 34062 1 129 . 1 1 13 13 DT H2' H 1 1.417 0.003 . 1 . 421 . A 13 DT H2' . 34062 1 130 . 1 1 13 13 DT H2'' H 1 2.232 0.004 . 1 . 422 . A 13 DT H2'' . 34062 1 131 . 1 1 13 13 DT H3' H 1 4.491 0.003 . 1 . 511 . A 13 DT H3' . 34062 1 132 . 1 1 13 13 DT H4' H 1 4.021 0.003 . 1 . 523 . A 13 DT H4' . 34062 1 133 . 1 1 13 13 DT H5' H 1 3.845 0.005 . 2 . 524 . A 13 DT H5' . 34062 1 134 . 1 1 13 13 DT H5'' H 1 3.655 0.004 . 2 . 525 . A 13 DT H5'' . 34062 1 135 . 1 1 13 13 DT H6 H 1 6.701 0.003 . 1 . 418 . A 13 DT H6 . 34062 1 136 . 1 1 13 13 DT H71 H 1 1.289 0.002 . 1 . 346 . A 13 DT H71 . 34062 1 137 . 1 1 13 13 DT H72 H 1 1.289 0.002 . 1 . 346 . A 13 DT H72 . 34062 1 138 . 1 1 13 13 DT H73 H 1 1.289 0.002 . 1 . 346 . A 13 DT H73 . 34062 1 139 . 1 1 13 13 DT C4' C 13 86.652 . . 1 . 547 . A 13 DT C4' . 34062 1 140 . 1 1 13 13 DT C6 C 13 137.250 . . 1 . 419 . A 13 DT C6 . 34062 1 141 . 1 1 14 14 DA H1' H 1 6.202 0.004 . 1 . 480 . A 14 DA H1' . 34062 1 142 . 1 1 14 14 DA H2 H 1 7.365 0.001 . 1 . 503 . A 14 DA H2 . 34062 1 143 . 1 1 14 14 DA H2' H 1 2.125 0.004 . 1 . 481 . A 14 DA H2' . 34062 1 144 . 1 1 14 14 DA H2'' H 1 2.443 0.002 . 1 . 482 . A 14 DA H2'' . 34062 1 145 . 1 1 14 14 DA H3' H 1 4.626 0.004 . 1 . 512 . A 14 DA H3' . 34062 1 146 . 1 1 14 14 DA H4' H 1 4.032 0.004 . 1 . 529 . A 14 DA H4' . 34062 1 147 . 1 1 14 14 DA H5' H 1 2.796 0.005 . 1 . 342 . A 14 DA H5' . 34062 1 148 . 1 1 14 14 DA H5'' H 1 3.378 0.004 . 1 . 343 . A 14 DA H5'' . 34062 1 149 . 1 1 14 14 DA H8 H 1 7.745 0.002 . 1 . 344 . A 14 DA H8 . 34062 1 150 . 1 1 14 14 DA C1' C 13 87.472 . . 1 . 540 . A 14 DA C1' . 34062 1 151 . 1 1 14 14 DA C2 C 13 153.804 . . 1 . 504 . A 14 DA C2 . 34062 1 152 . 1 1 14 14 DA C4' C 13 87.736 . . 1 . 546 . A 14 DA C4' . 34062 1 153 . 1 1 14 14 DA C5' C 13 67.446 0.013 . 1 . 544 . A 14 DA C5' . 34062 1 154 . 1 1 14 14 DA C8 C 13 142.447 . . 1 . 426 . A 14 DA C8 . 34062 1 155 . 1 1 15 15 DG H1 H 1 11.429 0.004 . 1 . 380 . A 15 DG H1 . 34062 1 156 . 1 1 15 15 DG H1' H 1 6.078 0.005 . 1 . 330 . A 15 DG H1' . 34062 1 157 . 1 1 15 15 DG H2' H 1 3.535 0.005 . 1 . 331 . A 15 DG H2' . 34062 1 158 . 1 1 15 15 DG H2'' H 1 3.058 0.003 . 1 . 332 . A 15 DG H2'' . 34062 1 159 . 1 1 15 15 DG H3' H 1 4.814 . . 1 . 563 . A 15 DG H3' . 34062 1 160 . 1 1 15 15 DG H8 H 1 7.362 0.002 . 1 . 333 . A 15 DG H8 . 34062 1 161 . 1 1 15 15 DG C1' C 13 88.734 . . 1 . 539 . A 15 DG C1' . 34062 1 162 . 1 1 15 15 DG C8 C 13 141.474 . . 1 . 406 . A 15 DG C8 . 34062 1 163 . 1 1 16 16 DG H1 H 1 11.251 0.003 . 1 . 378 . A 16 DG H1 . 34062 1 164 . 1 1 16 16 DG H1' H 1 5.883 0.004 . 1 . 334 . A 16 DG H1' . 34062 1 165 . 1 1 16 16 DG H2' H 1 2.922 0.004 . 1 . 336 . A 16 DG H2' . 34062 1 166 . 1 1 16 16 DG H2'' H 1 2.785 0.004 . 1 . 335 . A 16 DG H2'' . 34062 1 167 . 1 1 16 16 DG H3' H 1 5.014 0.003 . 1 . 564 . A 16 DG H3' . 34062 1 168 . 1 1 16 16 DG H8 H 1 7.391 0.003 . 1 . 337 . A 16 DG H8 . 34062 1 169 . 1 1 16 16 DG C8 C 13 140.611 . . 1 . 408 . A 16 DG C8 . 34062 1 170 . 1 1 17 17 DG H1 H 1 11.029 0.003 . 1 . 467 . A 17 DG H1 . 34062 1 171 . 1 1 17 17 DG H1' H 1 6.002 0.005 . 1 . 339 . A 17 DG H1' . 34062 1 172 . 1 1 17 17 DG H2' H 1 3.121 0.004 . 1 . 340 . A 17 DG H2' . 34062 1 173 . 1 1 17 17 DG H2'' H 1 2.214 0.003 . 1 . 341 . A 17 DG H2'' . 34062 1 174 . 1 1 17 17 DG H3' H 1 5.080 0.003 . 1 . 565 . A 17 DG H3' . 34062 1 175 . 1 1 17 17 DG H4' H 1 4.322 . . 1 . 569 . A 17 DG H4' . 34062 1 176 . 1 1 17 17 DG H8 H 1 7.633 0.002 . 1 . 338 . A 17 DG H8 . 34062 1 177 . 1 1 17 17 DG C8 C 13 141.051 . . 1 . 407 . A 17 DG C8 . 34062 1 178 . 1 1 18 18 DT H1' H 1 5.926 0.003 . 1 . 470 . A 18 DT H1' . 34062 1 179 . 1 1 18 18 DT H2' H 1 2.332 0.003 . 1 . 472 . A 18 DT H2' . 34062 1 180 . 1 1 18 18 DT H2'' H 1 2.527 0.004 . 1 . 471 . A 18 DT H2'' . 34062 1 181 . 1 1 18 18 DT H3' H 1 5.072 0.002 . 1 . 566 . A 18 DT H3' . 34062 1 182 . 1 1 18 18 DT H6 H 1 7.579 0.003 . 1 . 473 . A 18 DT H6 . 34062 1 183 . 1 1 18 18 DT H71 H 1 1.710 0.004 . 1 . 345 . A 18 DT H71 . 34062 1 184 . 1 1 18 18 DT H72 H 1 1.710 0.004 . 1 . 345 . A 18 DT H72 . 34062 1 185 . 1 1 18 18 DT H73 H 1 1.710 0.004 . 1 . 345 . A 18 DT H73 . 34062 1 186 . 1 1 18 18 DT C6 C 13 141.169 . . 1 . 474 . A 18 DT C6 . 34062 1 187 . 1 1 19 19 DT H1' H 1 5.917 0.003 . 1 . 439 . A 19 DT H1' . 34062 1 188 . 1 1 19 19 DT H2' H 1 1.594 0.004 . 1 . 441 . A 19 DT H2' . 34062 1 189 . 1 1 19 19 DT H2'' H 1 2.180 0.002 . 1 . 440 . A 19 DT H2'' . 34062 1 190 . 1 1 19 19 DT H3' H 1 4.754 0.013 . 1 . 514 . A 19 DT H3' . 34062 1 191 . 1 1 19 19 DT H4' H 1 4.191 0.001 . 1 . 601 . A 19 DT H4' . 34062 1 192 . 1 1 19 19 DT H6 H 1 7.232 0.004 . 1 . 442 . A 19 DT H6 . 34062 1 193 . 1 1 19 19 DT H71 H 1 1.523 0.003 . 1 . 348 . A 19 DT H71 . 34062 1 194 . 1 1 19 19 DT H72 H 1 1.523 0.003 . 1 . 348 . A 19 DT H72 . 34062 1 195 . 1 1 19 19 DT H73 H 1 1.523 0.003 . 1 . 348 . A 19 DT H73 . 34062 1 196 . 1 1 19 19 DT C6 C 13 138.680 . . 1 . 443 . A 19 DT C6 . 34062 1 197 . 1 1 20 20 DA H1' H 1 5.749 0.003 . 1 . 364 . A 20 DA H1' . 34062 1 198 . 1 1 20 20 DA H2 H 1 7.763 0.003 . 1 . 354 . A 20 DA H2 . 34062 1 199 . 1 1 20 20 DA H2' H 1 2.779 0.002 . 1 . 366 . A 20 DA H2' . 34062 1 200 . 1 1 20 20 DA H2'' H 1 2.855 0.003 . 1 . 365 . A 20 DA H2'' . 34062 1 201 . 1 1 20 20 DA H3' H 1 4.985 0.003 . 1 . 444 . A 20 DA H3' . 34062 1 202 . 1 1 20 20 DA H4' H 1 4.310 0.002 . 1 . 555 . A 20 DA H4' . 34062 1 203 . 1 1 20 20 DA H5' H 1 4.050 . . 2 . 574 . A 20 DA H5' . 34062 1 204 . 1 1 20 20 DA H5'' H 1 3.941 0.001 . 2 . 575 . A 20 DA H5'' . 34062 1 205 . 1 1 20 20 DA H8 H 1 8.252 0.002 . 1 . 367 . A 20 DA H8 . 34062 1 206 . 1 1 20 20 DA C1' C 13 84.742 . . 1 . 537 . A 20 DA C1' . 34062 1 207 . 1 1 20 20 DA C2 C 13 154.380 . . 1 . 415 . A 20 DA C2 . 34062 1 208 . 1 1 20 20 DA C8 C 13 141.508 . . 1 . 438 . A 20 DA C8 . 34062 1 209 . 1 1 21 21 GF2 H1' H 1 5.991 0.003 . 1 . 357 . A 21 GF2 H1' . 34062 1 210 . 1 1 21 21 GF2 H2' H 1 5.483 0.003 . 1 . 358 . A 21 GF2 H2' . 34062 1 211 . 1 1 21 21 GF2 H3' H 1 4.890 0.003 . 1 . 445 . A 21 GF2 H3' . 34062 1 212 . 1 1 21 21 GF2 H4' H 1 4.663 0.0 . 1 . 568 . A 21 GF2 H4' . 34062 1 213 . 1 1 21 21 GF2 H8 H 1 7.804 0.003 . 1 . 360 . A 21 GF2 H8 . 34062 1 214 . 1 1 21 21 GF2 C8 C 13 136.665 . . 1 . 410 . A 21 GF2 C8 . 34062 1 215 . 1 1 21 21 GF2 HN1 H 1 11.556 0.003 . 1 . 373 . A 21 GF2 HN1 . 34062 1 216 . 1 1 22 22 DG H1 H 1 11.144 0.003 . 1 . 374 . A 22 DG H1 . 34062 1 217 . 1 1 22 22 DG H1' H 1 6.035 0.003 . 1 . 393 . A 22 DG H1' . 34062 1 218 . 1 1 22 22 DG H2' H 1 2.499 0.003 . 1 . 394 . A 22 DG H2' . 34062 1 219 . 1 1 22 22 DG H2'' H 1 2.711 0.002 . 1 . 395 . A 22 DG H2'' . 34062 1 220 . 1 1 22 22 DG H3' H 1 4.883 0.003 . 1 . 405 . A 22 DG H3' . 34062 1 221 . 1 1 22 22 DG H4' H 1 4.437 0.003 . 1 . 552 . A 22 DG H4' . 34062 1 222 . 1 1 22 22 DG H8 H 1 7.537 0.003 . 1 . 359 . A 22 DG H8 . 34062 1 223 . 1 1 22 22 DG C8 C 13 136.687 . . 1 . 411 . A 22 DG C8 . 34062 1 224 . 1 1 23 23 DG H1 H 1 10.774 0.003 . 1 . 376 . A 23 DG H1 . 34062 1 225 . 1 1 23 23 DG H1' H 1 5.850 0.003 . 1 . 397 . A 23 DG H1' . 34062 1 226 . 1 1 23 23 DG H2' H 1 2.109 0.004 . 1 . 398 . A 23 DG H2' . 34062 1 227 . 1 1 23 23 DG H2'' H 1 2.481 0.004 . 1 . 399 . A 23 DG H2'' . 34062 1 228 . 1 1 23 23 DG H3' H 1 4.912 0.006 . 1 . 550 . A 23 DG H3' . 34062 1 229 . 1 1 23 23 DG H4' H 1 4.361 0.003 . 1 . 576 . A 23 DG H4' . 34062 1 230 . 1 1 23 23 DG H5' H 1 4.189 0.002 . 2 . 577 . A 23 DG H5' . 34062 1 231 . 1 1 23 23 DG H5'' H 1 4.131 0.004 . 2 . 578 . A 23 DG H5'' . 34062 1 232 . 1 1 23 23 DG H8 H 1 7.404 0.003 . 1 . 396 . A 23 DG H8 . 34062 1 233 . 1 1 23 23 DG C8 C 13 136.904 . . 1 . 484 . A 23 DG C8 . 34062 1 234 . 1 1 24 24 DA H1' H 1 6.137 0.003 . 1 . 401 . A 24 DA H1' . 34062 1 235 . 1 1 24 24 DA H2 H 1 7.606 0.003 . 1 . 416 . A 24 DA H2 . 34062 1 236 . 1 1 24 24 DA H2' H 1 2.728 0.003 . 1 . 402 . A 24 DA H2' . 34062 1 237 . 1 1 24 24 DA H2'' H 1 2.423 0.003 . 1 . 403 . A 24 DA H2'' . 34062 1 238 . 1 1 24 24 DA H3' H 1 4.691 0.003 . 1 . 404 . A 24 DA H3' . 34062 1 239 . 1 1 24 24 DA H4' H 1 4.204 0.004 . 1 . 517 . A 24 DA H4' . 34062 1 240 . 1 1 24 24 DA H8 H 1 7.927 0.002 . 1 . 400 . A 24 DA H8 . 34062 1 241 . 1 1 24 24 DA C1' C 13 85.262 . . 1 . 536 . A 24 DA C1' . 34062 1 242 . 1 1 24 24 DA C2 C 13 154.167 . . 1 . 417 . A 24 DA C2 . 34062 1 243 . 1 1 24 24 DA C8 C 13 141.172 . . 1 . 409 . A 24 DA C8 . 34062 1 stop_ save_