data_25672 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Base-displaced intercalated structure of the N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct ; _BMRB_accession_number 25672 _BMRB_flat_file_name bmr25672.str _Entry_type original _Submission_date 2015-06-23 _Accession_date 2015-06-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Politica Dustin A. . 2 Stone Michael P. . 3 Malik Chanchal K. . 4 Basu Ashis K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-12 update BMRB 'update entry citation' 2016-02-17 original author 'original release' stop_ _Original_release_date 2016-02-17 save_ ############################# # Citation for this entry # ############################# save_CRT _Saveframe_category entry_citation _Citation_full . _Citation_title ; Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26641105 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Politica Dustin A. . 2 Malik Chanchal K. . 3 Basu Ashis K. . 4 Stone Michael P. . stop_ _Journal_abbreviation 'Chem. Res. Toxicol.' _Journal_volume 28 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2253 _Page_last 2266 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "DNA (5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3')" $DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') "DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3')" $DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') _Molecular_mass 3873.430 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence ; GTGCXTGTTTGT ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DT 3 DG 4 DC 5 4E9 6 DT 7 DG 8 DT 9 DT 10 DT 11 DG 12 DT stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') _Molecular_mass 3609.425 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence ; ACAAACACGCAC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 DA 2 14 DC 3 15 DA 4 16 DA 5 17 DA 6 18 DC 7 19 DA 8 20 DC 9 21 DG 10 22 DC 11 23 DA 12 24 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_4E9 _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common "2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)" _BMRB_code 4E9 _PDB_code 4E9 _Standard_residue_derivative . _Molecular_mass 590.481 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C4 C4 C . 0 . ? N3 N3 N . 0 . ? C2 C2 C . 0 . ? N1 N1 N . 0 . ? C6 C6 C . 0 . ? C5 C5 C . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O6 O6 O . 0 . ? N24 N24 N . 0 . ? N8 N8 N . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? O27 O27 O . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C26 C26 C . 0 . ? C25 C25 C . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H1' H1' H . 0 . ? H1 H1 H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H3' H3' H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H10 H10 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H18 H18 H . 0 . ? H19 H19 H . 0 . ? H20 H20 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? OP3 OP3 O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING O5' C5' ? ? SING O5' P ? ? SING C5' C4' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING O4' C1' ? ? SING C1' N9 ? ? SING C1' C2' ? ? SING N9 C4 ? ? SING N9 C8 ? ? SING C4 N3 ? ? DOUB C4 C5 ? ? DOUB N3 C2 ? ? SING C2 N1 ? ? SING C2 N24 ? ? SING N1 C6 ? ? SING C6 C5 ? ? DOUB C6 O6 ? ? SING C5 N7 ? ? DOUB N7 C8 ? ? SING C8 N8 ? ? SING C2' C3' ? ? SING C3' O3' ? ? SING P OP1 ? ? SING P OP2 ? ? SING N8 C10 ? ? DOUB C10 C11 ? ? SING C10 C25 ? ? SING C11 C12 ? ? SING C11 C26 ? ? DOUB C12 C13 ? ? SING C13 C14 ? ? DOUB C14 C15 ? ? SING C15 C16 ? ? SING C15 C26 ? ? DOUB C16 O27 ? ? SING C16 C17 ? ? DOUB C17 C18 ? ? SING C17 C22 ? ? SING C18 C19 ? ? DOUB C19 C20 ? ? SING C20 C21 ? ? DOUB C21 C22 ? ? SING C22 C23 ? ? SING C23 C24 ? ? DOUB C23 C26 ? ? DOUB C24 C25 ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' H4' ? ? SING C1' H1' ? ? SING N1 H1 ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C3' H3' ? ? SING O3' H2 ? ? SING OP1 H3 ? ? SING OP2 H4 ? ? SING N24 H21 ? ? SING N24 H22 ? ? SING N8 H10 ? ? SING C12 H12 ? ? SING C13 H13 ? ? SING C14 H14 ? ? SING C18 H18 ? ? SING C19 H19 ? ? SING C20 H20 ? ? SING C21 H23 ? ? SING C24 H24 ? ? SING C25 H25 ? ? DOUB P OP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') Human 9606 Eukaryota Metazoa Homo sapiens P53 'Codons 272-275' $DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') Human 9606 Eukaryota Metazoa Homo sapiens P53 'Complement to codons 272-275' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') 'chemical synthesis' . . . . . $DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') 352 uM 'natural abundance' $DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') 352 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 50 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_(5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3') 521 uM 'natural abundance' $DNA_(5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') 521 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version . loop_ _Vendor _Address _Electronic_address 'Borgias, B. A. & James, T. L.' . . stop_ loop_ _Task 'Restraint calculation' stop_ _Details . save_ save_CORMA _Saveframe_category software _Name CORMA _Version . loop_ _Vendor _Address _Electronic_address 'Borgias, B. A. & James, T. L.' . . stop_ loop_ _Task Validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 110 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 110 . mM pH 7 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Reference_correction_type water H 1 protons ppm 4.868 internal indirect . . . 1 temperature 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "DNA (5'-D(*GP*TP*GP*CP*(ABG)P*TP*GP*TP*TP*TP*GP*T)-3')" _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 DG H1' H 6.043 . 1 2 1 1 DG H2' H 2.705 . 1 3 1 1 DG H2'' H 2.831 . 1 4 1 1 DG H3' H 4.836 . 1 5 1 1 DG H4' H 4.249 . 1 6 1 1 DG H8 H 7.999 . 1 7 2 2 DT H1' H 6.013 . 1 8 2 2 DT H2' H 2.241 . 1 9 2 2 DT H2'' H 2.615 . 1 10 2 2 DT H3' H 4.954 . 1 11 2 2 DT H4' H 4.178 . 1 12 2 2 DT H6 H 7.423 . 1 13 2 2 DT H71 H 1.411 . 1 14 2 2 DT H72 H 1.411 . 1 15 2 2 DT H73 H 1.411 . 1 16 3 3 DG H1' H 5.924 . 1 17 3 3 DG H2' H 2.582 . 1 18 3 3 DG H2'' H 2.693 . 1 19 3 3 DG H3' H 5.005 . 1 20 3 3 DG H4' H 4.369 . 1 21 3 3 DG H8 H 7.878 . 1 22 4 4 DC H1' H 5.619 . 1 23 4 4 DC H2' H 0.835 . 1 24 4 4 DC H2'' H 2.059 . 1 25 4 4 DC H3' H 4.259 . 1 26 4 4 DC H4' H 3.657 . 1 27 4 4 DC H5 H 5.304 . 1 28 4 4 DC H5' H 4.119 . 6 29 4 4 DC H5'' H 4.227 . 6 30 4 4 DC H6 H 6.996 . 1 31 5 5 4E9 H1' H 5.918 . 1 32 5 5 4E9 H12 H 7.954 . 1 33 5 5 4E9 H13 H 7.611 . 1 34 5 5 4E9 H14 H 8.263 . 1 35 5 5 4E9 H18 H 7.427 . 1 36 5 5 4E9 H19 H 6.644 . 1 37 5 5 4E9 H2' H 3.497 . 1 38 5 5 4E9 H2'' H 2.680 . 1 39 5 5 4E9 H20 H 7.202 . 1 40 5 5 4E9 H23 H 7.782 . 1 41 5 5 4E9 H24 H 8.043 . 1 42 5 5 4E9 H25 H 8.249 . 1 43 5 5 4E9 H3' H 5.114 . 1 44 5 5 4E9 H4' H 4.422 . 1 45 6 6 DT H1' H 5.569 . 1 46 6 6 DT H2' H 2.250 . 1 47 6 6 DT H2'' H 2.483 . 1 48 6 6 DT H3' H 4.922 . 1 49 6 6 DT H4' H 4.330 . 1 50 6 6 DT H6 H 7.442 . 1 51 6 6 DT H71 H 1.389 . 1 52 6 6 DT H72 H 1.389 . 1 53 6 6 DT H73 H 1.389 . 1 54 7 7 DG H1' H 5.999 . 1 55 7 7 DG H2' H 2.643 . 1 56 7 7 DG H2'' H 2.817 . 1 57 7 7 DG H3' H 4.993 . 1 58 7 7 DG H4' H 4.440 . 1 59 7 7 DG H8 H 7.851 . 1 60 8 8 DT H1' H 6.024 . 1 61 8 8 DT H2' H 2.140 . 1 62 8 8 DT H2'' H 2.584 . 1 63 8 8 DT H3' H 4.881 . 1 64 8 8 DT H4' H 4.283 . 1 65 8 8 DT H6 H 7.258 . 1 66 8 8 DT H71 H 1.328 . 1 67 8 8 DT H72 H 1.328 . 1 68 8 8 DT H73 H 1.328 . 1 69 9 9 DT H1' H 6.106 . 1 70 9 9 DT H2' H 2.156 . 1 71 9 9 DT H2'' H 2.600 . 1 72 9 9 DT H3' H 4.908 . 1 73 9 9 DT H4' H 4.164 . 1 74 9 9 DT H6 H 7.461 . 1 75 9 9 DT H71 H 1.600 . 1 76 9 9 DT H72 H 1.600 . 1 77 9 9 DT H73 H 1.600 . 1 78 10 10 DT H1' H 5.837 . 1 79 10 10 DT H2' H 1.995 . 1 80 10 10 DT H2'' H 2.386 . 1 81 10 10 DT H3' H 4.917 . 1 82 10 10 DT H4' H 4.115 . 1 83 10 10 DT H6 H 7.317 . 1 84 10 10 DT H71 H 1.709 . 1 85 10 10 DT H72 H 1.709 . 1 86 10 10 DT H73 H 1.709 . 1 87 11 11 DG H1' H 6.062 . 1 88 11 11 DG H2' H 2.718 . 1 89 11 11 DG H2'' H 2.733 . 1 90 11 11 DG H3' H 5.010 . 1 91 11 11 DG H4' H 4.138 . 6 92 11 11 DG H8 H 7.991 . 1 93 12 12 DT H1' H 6.262 . 1 94 12 12 DT H2' H 2.255 . 6 95 12 12 DT H2'' H 2.260 . 6 96 12 12 DT H3' H 4.557 . 1 97 12 12 DT H4' H 4.097 . 1 98 12 12 DT H6 H 7.443 . 1 99 12 12 DT H71 H 1.627 . 1 100 12 12 DT H72 H 1.627 . 1 101 12 12 DT H73 H 1.627 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3')" _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 13 1 DA H1' H 6.191 . 1 2 13 1 DA H2 H 7.991 . 1 3 13 1 DA H2' H 2.609 . 1 4 13 1 DA H2'' H 2.771 . 1 5 13 1 DA H3' H 4.835 . 1 6 13 1 DA H4' H 4.246 . 1 7 13 1 DA H8 H 8.208 . 1 8 14 2 DC H1' H 5.120 . 1 9 14 2 DC H2' H 2.014 . 1 10 14 2 DC H2'' H 2.228 . 1 11 14 2 DC H3' H 4.789 . 1 12 14 2 DC H4' H 4.143 . 1 13 14 2 DC H5 H 5.469 . 1 14 14 2 DC H6 H 7.410 . 1 15 15 3 DA H1' H 5.757 . 1 16 15 3 DA H2 H 7.267 . 1 17 15 3 DA H2' H 2.737 . 1 18 15 3 DA H2'' H 2.835 . 1 19 15 3 DA H3' H 5.044 . 1 20 15 3 DA H4' H 4.116 . 6 21 15 3 DA H8 H 8.213 . 1 22 16 4 DA H1' H 5.845 . 1 23 16 4 DA H2 H 7.129 . 1 24 16 4 DA H2' H 2.624 . 1 25 16 4 DA H2'' H 2.832 . 1 26 16 4 DA H3' H 5.050 . 1 27 16 4 DA H4' H 4.439 . 1 28 16 4 DA H8 H 8.013 . 1 29 17 5 DA H1' H 5.973 . 1 30 17 5 DA H2 H 7.486 . 1 31 17 5 DA H2' H 2.451 . 1 32 17 5 DA H2'' H 2.751 . 1 33 17 5 DA H3' H 4.975 . 1 34 17 5 DA H4' H 4.413 . 1 35 17 5 DA H8 H 7.998 . 1 36 18 6 DC H1' H 5.342 . 1 37 18 6 DC H2' H 1.566 . 1 38 18 6 DC H2'' H 2.007 . 1 39 18 6 DC H3' H 4.703 . 1 40 18 6 DC H4' H 4.049 . 1 41 18 6 DC H5 H 5.009 . 1 42 18 6 DC H6 H 6.958 . 1 43 19 7 DA H1' H 5.846 . 1 44 19 7 DA H2 H 6.981 . 1 45 19 7 DA H2' H 2.113 . 1 46 19 7 DA H2'' H 2.347 . 1 47 19 7 DA H3' H 4.925 . 1 48 19 7 DA H8 H 7.323 . 1 49 20 8 DC H1' H 6.602 . 1 50 20 8 DC H2' H 2.447 . 1 51 20 8 DC H2'' H 2.593 . 1 52 20 8 DC H3' H 5.098 . 1 53 20 8 DC H4' H 4.084 . 1 54 20 8 DC H5 H 6.263 . 1 55 20 8 DC H5' H 4.256 . 1 56 20 8 DC H5'' H 4.349 . 1 57 20 8 DC H6 H 8.069 . 1 58 21 9 DG H1' H 5.580 . 1 59 21 9 DG H2' H 2.394 . 1 60 21 9 DG H2'' H 2.497 . 1 61 21 9 DG H3' H 4.574 . 1 62 21 9 DG H8 H 7.352 . 1 63 22 10 DC H1' H 5.504 . 1 64 22 10 DC H2' H 2.019 . 1 65 22 10 DC H2'' H 2.344 . 1 66 22 10 DC H3' H 4.735 . 1 67 22 10 DC H4' H 4.115 . 6 68 22 10 DC H5 H 5.157 . 1 69 22 10 DC H6 H 7.352 . 1 70 23 11 DA H1' H 6.222 . 1 71 23 11 DA H2 H 7.855 . 1 72 23 11 DA H2' H 2.610 . 1 73 23 11 DA H2'' H 2.840 . 1 74 23 11 DA H3' H 4.963 . 1 75 23 11 DA H4' H 4.353 . 1 76 23 11 DA H8 H 8.213 . 1 77 24 12 DC H1' H 6.093 . 1 78 24 12 DC H2' H 2.088 . 1 79 24 12 DC H2'' H 2.124 . 1 80 24 12 DC H3' H 4.471 . 1 81 24 12 DC H4' H 4.006 . 6 82 24 12 DC H5 H 5.373 . 1 83 24 12 DC H6 H 7.374 . 1 stop_ save_