data_19375 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of N2-IQ-dG at the G3 position in the NarI recognition sequence ; _BMRB_accession_number 19375 _BMRB_flat_file_name bmr19375.str _Entry_type original _Submission_date 2013-07-19 _Accession_date 2013-07-19 _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 Stavros Kallie M. . 2 Hawkins Edward K. . 3 Rizzo Carmelo J. . 4 Stone Michael P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 homonucl_NOEs 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-12 original author . stop_ _Original_release_date 2014-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Base-displaced intercalation of the 2-amino-3-methylimidazo[4,5-f]quinolone N2-dG adduct in the NarI DNA recognition sequence' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24366876 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stavros Kallie M. . 2 Hawkins Edward K. . 3 Rizzo Carmelo J. . 4 Stone Michael P. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 42 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3450 _Page_last 3463 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N2-dG IQ at G3 in NarI sequence' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3')' $DNA_(5'-D(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') 'DNA (5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3')' $DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-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(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3') _Molecular_mass 3777.5 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence CTCGGCXCCATC loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DC 4 DG 5 DG 6 DC 7 IQG 8 DC 9 DC 10 DA 11 DT 12 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') _Molecular_mass 3711.459 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence GATGGCGCCGAG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 DG 2 14 DA 3 15 DT 4 16 DG 5 17 DG 6 18 DC 7 19 DG 8 20 DC 9 21 DC 10 22 DG 11 23 DA 12 24 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_IQG _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)' _BMRB_code IQG _PDB_code IQG _Standard_residue_derivative . _Molecular_mass 543.429 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? C23 C23 C . 0 . ? C22 C22 C . 0 . ? N21 N21 N . 0 . ? C20 C20 C . 0 . ? C19 C19 C . 0 . ? C18 C18 C . 0 . ? C17 C17 C . 0 . ? C16 C16 C . 0 . ? N15 N15 N . 0 . ? C14 C14 C . 0 . ? N14 N14 N . 0 . ? N13 N13 N . 0 . ? C13 C13 C . 0 . ? C12 C12 C . 0 . ? C11 C11 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C3' C3' C . 0 . ? C2' C2' C . 0 . ? O3' O3' O . 0 . ? HO2' HO2' H . 0 . ? H5'2 H5'2 H . 0 . ? H5'1 H5'1 H . 0 . ? H4' H4' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H20 H20 H . 0 . ? H19 H19 H . 0 . ? H18 H18 H . 0 . ? H14 H14 H . 0 . ? H14' H14' H . 0 . ? H13 H13 H . 0 . ? H13' H13' H . 0 . ? H12 H12 H . 0 . ? H11 H11 H . 0 . ? H3' H3' H . 0 . ? H2'1 H2'1 H . 0 . ? H2'2 H2'2 H . 0 . ? H3 H3 H . 0 . ? OP3 OP3 O . 0 . ? HO3' HO3' H . 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 N14 C14 ? ? DOUB C14 N15 ? ? SING C14 N13 ? ? SING C13 N13 ? ? SING O3' C3' ? ? SING N15 C16 ? ? DOUB OP1 P ? ? SING N13 C12 ? ? SING C3' C4' ? ? SING C3' C2' ? ? SING C5' C4' ? ? SING C5' O5' ? ? SING C4' O4' ? ? SING O5' P ? ? SING C16 C12 ? ? DOUB C16 C17 ? ? SING P OP2 ? ? DOUB C12 C11 ? ? SING C2' C1' ? ? SING C18 C17 ? ? DOUB C18 C19 ? ? SING O4' C1' ? ? SING C17 C22 ? ? SING C11 C23 ? ? SING C1' N9 ? ? SING C19 C20 ? ? DOUB C22 C23 ? ? SING C22 N21 ? ? SING C23 N2 ? ? SING N9 C4 ? ? SING N9 C8 ? ? SING N3 C4 ? ? DOUB N3 C2 ? ? DOUB C20 N21 ? ? DOUB C4 C5 ? ? SING N2 C2 ? ? DOUB C8 N7 ? ? SING C2 N1 ? ? SING C5 N7 ? ? SING C5 C6 ? ? SING N1 C6 ? ? DOUB C6 O6 ? ? SING OP2 HO2' ? ? SING C5' H5'2 ? ? SING C5' H5'1 ? ? SING C4' H4' ? ? SING C1' H1' ? ? SING C8 H8 ? ? SING N1 H1 ? ? SING N2 H2 ? ? SING C20 H20 ? ? SING C19 H19 ? ? SING C18 H18 ? ? SING N14 H14 ? ? SING N14 H14' ? ? SING C13 H13 ? ? SING C13 H13' ? ? SING C13 H12 ? ? SING C11 H11 ? ? SING C3' H3' ? ? SING C2' H2'1 ? ? SING C2' H2'2 ? ? SING O3' H3 ? ? SING P OP3 ? ? SING OP3 HO3' ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DNA_(5'-D(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') . . . . . . $DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') . . . . . . 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(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') 'chemical synthesis' . . . . . $DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') 'chemical synthesis' . . . . . 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(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') 560 nM 'natural abundance' $DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') 560 nM '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(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3') 560 mM 'natural abundance' $DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') 560 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CORMA _Saveframe_category software _Name CORMA _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M 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 water H 1 protons ppm 4.868 internal direct . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*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 1 1 DC H1' H 5.681 . . 2 1 1 DC H2' H 2.088 . . 3 1 1 DC H2'' H 2.409 . . 4 1 1 DC H3' H 4.475 . . 5 1 1 DC H4' H 3.673 . . 6 1 1 DC H5 H 5.787 . . 7 1 1 DC H5' H 3.566 . . 8 1 1 DC H5'' H 3.901 . . 9 1 1 DC H6 H 7.736 . . 10 2 2 DT H1' H 5.976 . . 11 2 2 DT H2' H 2.395 . . 12 2 2 DT H2'' H 2.069 . . 13 2 2 DT H4' H 4.056 . . 14 2 2 DT H5' H 3.878 . . 15 2 2 DT H5'' H 4.337 . . 16 2 2 DT H6 H 7.454 . . 17 2 2 DT H71 H 1.503 . . 18 2 2 DT H72 H 1.503 . . 19 2 2 DT H73 H 1.503 . . 20 3 3 DC H1' H 5.435 . . 21 3 3 DC H2' H 2.200 . . 22 3 3 DC H2'' H 1.850 . . 23 3 3 DC H3' H 4.640 . . 24 3 3 DC H4' H 4.636 . . 25 3 3 DC H5 H 5.453 . . 26 3 3 DC H5' H 3.911 . . 27 3 3 DC H5'' H 3.898 . . 28 3 3 DC H6 H 7.259 . . 29 4 4 DG H1' H 5.373 . . 30 4 4 DG H2' H 2.516 . . 31 4 4 DG H2'' H 2.518 . . 32 4 4 DG H3' H 4.838 . . 33 4 4 DG H4' H 4.125 . . 34 4 4 DG H5' H 3.877 . . 35 4 4 DG H5'' H 3.776 . . 36 4 4 DG H8 H 7.672 . . 37 5 5 DG H1' H 5.662 . . 38 5 5 DG H2' H 2.342 . . 39 5 5 DG H2'' H 2.506 . . 40 5 5 DG H3' H 4.796 . . 41 5 5 DG H4' H 4.180 . . 42 5 5 DG H5' H 3.919 . . 43 5 5 DG H5'' H 4.144 . . 44 5 5 DG H8 H 7.548 . . 45 6 6 DC H1' H 5.650 . . 46 6 6 DC H2' H 1.611 . . 47 6 6 DC H2'' H 2.068 . . 48 6 6 DC H3' H 4.624 . . 49 6 6 DC H5 H 4.977 . . 50 6 6 DC H5' H 3.888 . . 51 6 6 DC H5'' H 3.906 . . 52 6 6 DC H6 H 6.917 . . 53 7 7 IQG H1' H 5.864 . . 54 7 7 IQG H2' H 2.543 . . 55 7 7 IQG H2'' H 2.506 . . 56 7 7 IQG H3' H 4.826 . . 57 7 7 IQG H4' H 4.139 . . 58 7 7 IQG H4A H 8.374 . . 59 7 7 IQG H4a H 8.375 . . 60 7 7 IQG H5' H 3.888 . . 61 7 7 IQG H5'' H 3.807 . . 62 7 7 IQG H7a H 7.365 . . 63 7 7 IQG H8 H 7.910 . . 64 7 7 IQG H8a H 6.303 . . 65 7 7 IQG H9a H 7.482 . . 66 7 7 IQG M15 H 3.357 . . 67 8 8 DC H1' H 5.570 . . 68 8 8 DC H2' H 2.221 . . 69 8 8 DC H2'' H 1.804 . . 70 8 8 DC H3' H 4.571 . . 71 8 8 DC H4' H 3.895 . . 72 8 8 DC H5 H 5.080 . . 73 8 8 DC H5' H 3.979 . . 74 8 8 DC H5'' H 3.816 . . 75 8 8 DC H6 H 7.301 . . 76 9 9 DC H1' H 5.187 . . 77 9 9 DC H2' H 2.217 . . 78 9 9 DC H2'' H 1.952 . . 79 9 9 DC H3' H 4.629 . . 80 9 9 DC H4' H 3.869 . . 81 9 9 DC H5 H 5.335 . . 82 9 9 DC H5' H 3.829 . . 83 9 9 DC H5'' H 3.825 . . 84 9 9 DC H6 H 7.255 . . 85 10 10 DA H1' H 6.088 . . 86 10 10 DA H2' H 2.526 . . 87 10 10 DA H2'' H 2.750 . . 88 10 10 DA H3' H 4.830 . . 89 10 10 DA H4' H 3.984 . . 90 10 10 DA H5' H 4.213 . . 91 10 10 DA H5'' H 3.905 . . 92 10 10 DA H8 H 8.140 . . 93 11 11 DT H1' H 5.801 . . 94 11 11 DT H2' H 2.269 . . 95 11 11 DT H2'' H 1.851 . . 96 11 11 DT H3' H 4.771 . . 97 11 11 DT H4' H 3.938 . . 98 11 11 DT H5' H 3.981 . . 99 11 11 DT H5'' H 3.909 . . 100 11 11 DT H6 H 7.018 . . 101 11 11 DT H71 H 1.307 . . 102 11 11 DT H72 H 1.307 . . 103 11 11 DT H73 H 1.307 . . 104 12 12 DC H1' H 6.063 . . 105 12 12 DC H2' H 1.999 . . 106 12 12 DC H2'' H 2.072 . . 107 12 12 DC H3' H 4.477 . . 108 12 12 DC H4' H 3.958 . . 109 12 12 DC H5 H 5.550 . . 110 12 12 DC H5' H 3.798 . . 111 12 12 DC H5'' H 4.353 . . 112 12 12 DC H6 H 7.404 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DNA (5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-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 DG H1' H 5.455 . . 2 13 1 DG H2' H 2.402 . . 3 13 1 DG H2'' H 2.548 . . 4 13 1 DG H3' H 4.651 . . 5 13 1 DG H5' H 3.977 . . 6 13 1 DG H5'' H 3.888 . . 7 13 1 DG H8 H 7.709 . . 8 14 2 DA H1' H 6.106 . . 9 14 2 DA H2 H 7.761 . . 10 14 2 DA H2' H 2.549 . . 11 14 2 DA H2'' H 2.761 . . 12 14 2 DA H3' H 4.855 . . 13 14 2 DA H4' H 3.988 . . 14 14 2 DA H5' H 4.264 . . 15 14 2 DA H5'' H 3.929 . . 16 14 2 DA H8 H 8.126 . . 17 15 3 DT H1' H 5.494 . . 18 15 3 DT H2' H 1.744 . . 19 15 3 DT H2'' H 2.157 . . 20 15 3 DT H3' H 4.642 . . 21 15 3 DT H4' H 4.056 . . 22 15 3 DT H5' H 3.834 . . 23 15 3 DT H5'' H 3.944 . . 24 15 3 DT H6 H 6.890 . . 25 15 3 DT H71 H 1.144 . . 26 15 3 DT H72 H 1.144 . . 27 15 3 DT H73 H 1.144 . . 28 16 4 DG H1' H 5.409 . . 29 16 4 DG H2' H 2.459 . . 30 16 4 DG H2'' H 2.491 . . 31 16 4 DG H3' H 4.826 . . 32 16 4 DG H4' H 3.917 . . 33 16 4 DG H5' H 4.128 . . 34 16 4 DG H5'' H 3.815 . . 35 16 4 DG H8 H 7.597 . . 36 17 5 DG H1' H 5.714 . . 37 17 5 DG H2' H 2.461 . . 38 17 5 DG H2'' H 2.354 . . 39 17 5 DG H3' H 4.898 . . 40 17 5 DG H4' H 4.173 . . 41 17 5 DG H5' H 3.940 . . 42 17 5 DG H5'' H 4.143 . . 43 17 5 DG H8 H 7.490 . . 44 18 6 DC H1' H 5.966 . . 45 18 6 DC H2' H 2.003 . . 46 18 6 DC H2'' H 2.469 . . 47 18 6 DC H3' H 4.764 . . 48 18 6 DC H4' H 3.938 . . 49 18 6 DC H5 H 5.662 . . 50 18 6 DC H5' H 3.890 . . 51 18 6 DC H5'' H 3.910 . . 52 18 6 DC H6 H 7.624 . . 53 19 7 DG H1' H 5.483 . . 54 19 7 DG H2' H 2.447 . . 55 19 7 DG H2'' H 2.173 . . 56 19 7 DG H3' H 4.546 . . 57 19 7 DG H4' H 4.137 . . 58 19 7 DG H5' H 3.895 . . 59 19 7 DG H5'' H 3.811 . . 60 19 7 DG H8 H 7.374 . . 61 20 8 DC H1' H 5.704 . . 62 20 8 DC H2' H 1.861 . . 63 20 8 DC H2'' H 2.232 . . 64 20 8 DC H3' H 4.625 . . 65 20 8 DC H4' H 3.895 . . 66 20 8 DC H5 H 4.991 . . 67 20 8 DC H5' H 3.976 . . 68 20 8 DC H5'' H 3.824 . . 69 20 8 DC H6 H 7.075 . . 70 21 9 DC H1' H 5.222 . . 71 21 9 DC H2' H 1.759 . . 72 21 9 DC H2'' H 2.101 . . 73 21 9 DC H3' H 4.609 . . 74 21 9 DC H5 H 5.336 . . 75 21 9 DC H5' H 3.824 . . 76 21 9 DC H5'' H 3.822 . . 77 21 9 DC H6 H 7.169 . . 78 22 10 DG H1' H 5.237 . . 79 22 10 DG H2' H 2.515 . . 80 22 10 DG H2'' H 2.568 . . 81 22 10 DG H3' H 4.817 . . 82 22 10 DG H4' H 4.103 . . 83 22 10 DG H5' H 3.831 . . 84 22 10 DG H5'' H 3.751 . . 85 22 10 DG H8 H 7.702 . . 86 23 11 DA H1' H 5.935 . . 87 23 11 DA H2' H 2.485 . . 88 23 11 DA H2'' H 2.738 . . 89 23 11 DA H3' H 4.843 . . 90 23 11 DA H4' H 3.936 . . 91 23 11 DA H5' H 4.221 . . 92 23 11 DA H5'' H 3.912 . . 93 23 11 DA H8 H 7.914 . . 94 24 12 DG H1' H 5.769 . . 95 24 12 DG H2' H 2.189 . . 96 24 12 DG H2'' H 2.048 . . 97 24 12 DG H3' H 4.529 . . 98 24 12 DG H4' H 4.397 . . 99 24 12 DG H5' H 3.916 . . 100 24 12 DG H5'' H 4.035 . . 101 24 12 DG H8 H 7.436 . . stop_ save_