data_18985 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA containing a cluster of 8-oxo-guanine and abasic site lesion : beta anomer (6AP, 8OG14) ; _BMRB_accession_number 18985 _BMRB_flat_file_name bmr18985.str _Entry_type original _Submission_date 2013-01-29 _Accession_date 2013-01-29 _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 Zalesak Jan . . 2 Jourdan Muriel . . 3 Constant Jean-Francois . . 4 Lourdin Morgane . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 "31P chemical shifts" 20 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2014-01-06 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18979 'DNA duplex containing a cluster of 8-oxo-guanine and abasic site lesion : beta anomer' 18981 'DNA duplex containing a cluster of mutagenic 8-oxo-guanine and abasic site lesion' 18984 'DNA containing a cluster of 8-oxo-guanine and abasic site lesion : alpha anomer (AP6, 8OG 14)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24384094 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zaleak Jan . . 2 Lourdin Morgane . . 3 Krej Lumr . . 4 Constant Jean-Francois . . 5 Jourdan Muriel . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 426 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1524 _Page_last 1538 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DNA_1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DNA_1 $DNA_1 DNA_2 $DNA_2 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_1 _Molecular_mass 2965.968 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence CGCTCXCACGC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DC 2 2 DG 3 3 DC 4 4 DT 5 5 DC 6 6 ORP 7 7 DC 8 8 DA 9 9 DC 10 10 DG 11 11 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'not present' _Molecular_mass 3471.274 _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence GCXTGGGAGCG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 DG 2 13 DC 3 14 8OG 4 15 DT 5 16 DG 6 17 DG 7 18 DG 8 19 DA 9 20 DG 10 21 DC 11 22 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ORP _Saveframe_category polymer_residue _Mol_type SACCHARIDE _Name_common 2-DEOXY-5-PHOSPHONO-RIBOSE _BMRB_code ORP _PDB_code ORP _Standard_residue_derivative . _Molecular_mass 214.110 _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? O5 O5 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H1 H1 H . 0 . ? HO1 HO1 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H3 H3 H . 0 . ? HO3 HO3 H . 0 . ? H4 H4 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 C1 O1 ? ? SING C1 C2 ? ? SING C1 O4 ? ? SING C1 H1 ? ? SING O1 HO1 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 O3 ? ? SING C3 C4 ? ? SING C3 H3 ? ? SING O3 HO3 ? ? SING C4 O4 ? ? SING C4 C5 ? ? SING C4 H4 ? ? SING C5 O5 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING O5 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ save_chem_comp_8OG _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE _BMRB_code 8OG _PDB_code 8OG _Standard_residue_derivative . _Molecular_mass 363.221 _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OP3 OP3 O . 0 . ? 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 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 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 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O8 O8 O . 0 . ? HOP3 HOP3 H . 0 . ? HOP2 HOP2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H1' H1' H . 0 . ? H7 H7 H . 0 . ? H1 H1 H . 0 . ? H21 H21 H . 0 . ? H22 H22 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 OP3 P ? ? SING OP3 HOP3 ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? SING C8 N7 ? ? DOUB C8 O8 ? ? SING N7 C5 ? ? SING N7 H7 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 H1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 H21 ? ? SING N2 H22 ? ? SING N3 C4 ? ? 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_1 . . . . . . $DNA_2 . . . . . . 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_1 'chemical synthesis' . . . . . $DNA_2 '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_1 0.88 mM 'natural abundance' $DNA_2 0.88 mM 'natural abundance' D2O 0.88 mM '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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _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_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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' 120 . mM pH 6 . pH pressure 1 . atm temperature 283 . 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 4.96 internal direct . . . 1 TMP P 31 protons ppm 0 external 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' '2D DQF-COSY' '2D 1H-1H TOCSY' 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_1 _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 5.79 0.000 1 2 1 1 DC H2' H 2.03 0.000 1 3 1 1 DC H2'' H 2.47 0.000 1 4 1 1 DC H3' H 4.75 0.000 1 5 1 1 DC H4' H 4.11 0.000 1 6 1 1 DC H5 H 5.93 0.000 1 7 1 1 DC H6 H 7.67 0.000 1 8 1 1 DC H41 H 7.16 0.000 2 9 1 1 DC H42 H 8.22 0.000 2 10 2 2 DG H1 H 13.13 0.000 1 11 2 2 DG H1' H 5.97 0.000 1 12 2 2 DG H2' H 2.76 0.000 1 13 2 2 DG H2'' H 2.78 0.000 1 14 2 2 DG H3' H 5.04 0.000 1 15 2 2 DG H4' H 4.42 0.000 1 16 2 2 DG H5' H 4.13 0.000 2 17 2 2 DG H8 H 8.03 0.000 1 18 2 2 DG P P -3.68 0.000 1 19 3 3 DC H1' H 6.05 0.000 1 20 3 3 DC H2' H 2.16 0.000 1 21 3 3 DC H2'' H 2.57 0.000 1 22 3 3 DC H3' H 4.79 0.000 1 23 3 3 DC H4' H 4.31 0.000 1 24 3 3 DC H5 H 5.40 0.000 1 25 3 3 DC H5' H 4.11 0.000 1 26 3 3 DC H6 H 7.50 0.000 1 27 3 3 DC H41 H 6.96 0.000 2 28 3 3 DC H42 H 8.32 0.000 2 29 3 3 DC P P -3.65 0.000 1 30 4 4 DT H1' H 6.10 0.000 1 31 4 4 DT H2' H 2.17 0.000 1 32 4 4 DT H2'' H 2.53 0.000 1 33 4 4 DT H3 H 14.12 0.000 1 34 4 4 DT H3' H 4.91 0.000 1 35 4 4 DT H4' H 4.21 0.000 1 36 4 4 DT H6 H 7.48 0.000 1 37 4 4 DT H71 H 1.65 0.000 1 38 4 4 DT H72 H 1.65 0.000 1 39 4 4 DT H73 H 1.65 0.000 1 40 4 4 DT P P -3.94 0.000 1 41 5 5 DC H1' H 6.17 0.000 1 42 5 5 DC H2' H 2.39 0.000 1 43 5 5 DC H2'' H 2.41 0.000 1 44 5 5 DC H3' H 4.91 0.000 1 45 5 5 DC H4' H 4.32 0.000 1 46 5 5 DC H5 H 5.78 0.000 1 47 5 5 DC H6 H 7.67 0.000 1 48 5 5 DC H41 H 7.00 0.000 2 49 5 5 DC H42 H 8.36 0.000 2 50 5 5 DC P P -3.79 0.000 1 51 6 6 ORP H1 H 5.65 0.000 1 52 6 6 ORP H21 H 1.95 0.000 1 53 6 6 ORP H22 H 2.26 0.000 1 54 6 6 ORP H3 H 4.62 0.000 1 55 6 6 ORP H4 H 4.49 0.000 1 56 6 6 ORP P P -2.74 0.000 1 57 7 7 DC H1' H 5.77 0.000 1 58 7 7 DC H2' H 2.17 0.000 1 59 7 7 DC H2'' H 2.46 0.000 1 60 7 7 DC H3' H 4.84 0.000 1 61 7 7 DC H4' H 4.28 0.000 1 62 7 7 DC H5 H 6.04 0.000 1 63 7 7 DC H6 H 7.75 0.000 1 64 7 7 DC H41 H 7.30 0.000 2 65 7 7 DC H42 H 8.47 0.000 2 66 7 7 DC P P -3.37 0.000 1 67 8 8 DA H1' H 6.23 0.000 1 68 8 8 DA H2 H 7.86 0.000 1 69 8 8 DA H2' H 2.83 0.000 1 70 8 8 DA H2'' H 2.91 0.000 1 71 8 8 DA H3' H 5.08 0.000 1 72 8 8 DA H4' H 4.44 0.000 1 73 8 8 DA H5' H 4.14 0.000 2 74 8 8 DA H8 H 8.40 0.000 1 75 8 8 DA P P -3.67 0.000 1 76 9 9 DC H1' H 5.61 0.000 1 77 9 9 DC H2' H 1.94 0.000 1 78 9 9 DC H2'' H 2.30 0.000 1 79 9 9 DC H3' H 4.84 0.000 1 80 9 9 DC H4' H 4.28 0.000 1 81 9 9 DC H5 H 5.39 0.000 1 82 9 9 DC H5' H 4.14 0.000 2 83 9 9 DC H6 H 7.31 0.000 1 84 9 9 DC H41 H 6.72 0.000 2 85 9 9 DC H42 H 8.32 0.000 2 86 9 9 DC P P -3.78 0.000 1 87 10 10 DG H1 H 13.18 0.000 1 88 10 10 DG H1' H 6.00 0.000 1 89 10 10 DG H2' H 2.65 0.000 1 90 10 10 DG H2'' H 2.76 0.000 1 91 10 10 DG H3' H 5.40 0.000 1 92 10 10 DG H4' H 4.11 0.000 1 93 10 10 DG H8 H 7.90 0.000 1 94 10 10 DG P P -3.66 0.000 1 95 11 11 DC H1' H 6.18 0.000 1 96 11 11 DC H2' H 2.23 0.000 1 97 11 11 DC H2'' H 2.24 0.000 1 98 11 11 DC H3' H 4.53 0.000 1 99 11 11 DC H4' H 4.28 0.000 1 100 11 11 DC H5 H 5.40 0.000 1 101 11 11 DC H5' H 4.07 0.000 2 102 11 11 DC H6 H 7.41 0.000 1 103 11 11 DC H41 H 6.73 0.000 2 104 11 11 DC H42 H 8.25 0.000 2 105 11 11 DC P P -3.78 0.000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' 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_2 _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 12 1 DG H1' H 6.06 0.000 1 2 12 1 DG H2' H 2.87 0.000 1 3 12 1 DG H2'' H 2.68 0.000 1 4 12 1 DG H3' H 5.46 0.000 1 5 12 1 DG H4' H 4.32 0.000 1 6 12 1 DG H8 H 8.02 0.000 1 7 13 2 DC H1' H 6.20 0.000 1 8 13 2 DC H2' H 2.73 0.000 1 9 13 2 DC H2'' H 2.02 0.000 1 10 13 2 DC H3' H 5.78 0.000 1 11 13 2 DC H4' H 4.22 0.000 1 12 13 2 DC H5 H 5.46 0.000 1 13 13 2 DC H5' H 4.12 0.000 2 14 13 2 DC H6 H 7.58 0.000 1 15 13 2 DC H41 H 6.66 0.000 2 16 13 2 DC H42 H 8.47 0.000 2 17 13 2 DC P P -3.55 0.000 1 18 14 3 8OG H1 H 13.09 0.000 1 19 14 3 8OG H1' H 5.76 0.000 1 20 14 3 8OG H2' H 3.32 0.000 1 21 14 3 8OG H2'' H 2.47 0.000 1 22 14 3 8OG H3' H 4.90 0.000 1 23 14 3 8OG H4' H 4.11 0.000 1 24 14 3 8OG H7 H 10.19 0.000 1 25 14 3 8OG P P -3.69 0.000 1 26 15 4 DT H1' H 5.68 0.000 1 27 15 4 DT H2' H 2.18 0.000 1 28 15 4 DT H2'' H 1.92 0.000 1 29 15 4 DT H3 H 14.19 0.000 1 30 15 4 DT H3' H 4.84 0.000 1 31 15 4 DT H4' H 4.12 0.000 1 32 15 4 DT H6 H 7.31 0.000 1 33 15 4 DT H71 H 1.75 0.000 1 34 15 4 DT H72 H 1.75 0.000 1 35 15 4 DT H73 H 1.75 0.000 1 36 15 4 DT P P -3.03 0.000 1 37 16 5 DG H1 H 12.76 0.000 1 38 16 5 DG H1' H 5.52 0.000 1 39 16 5 DG H2' H 2.45 0.000 1 40 16 5 DG H2'' H 2.41 0.000 1 41 16 5 DG H3' H 4.86 0.000 1 42 16 5 DG H4' H 4.22 0.000 1 43 16 5 DG H8 H 7.71 0.000 1 44 16 5 DG P P -3.55 0.000 1 45 17 6 DG H1 H 9.54 0.000 1 46 17 6 DG H1' H 5.11 0.000 1 47 17 6 DG H2' H 2.41 0.000 1 48 17 6 DG H2'' H 2.38 0.000 1 49 17 6 DG H3' H 4.86 0.000 1 50 17 6 DG H4' H 4.22 0.000 1 51 17 6 DG H8 H 7.74 0.000 1 52 17 6 DG P P -3.76 0.000 1 53 18 7 DG H1 H 12.58 0.000 1 54 18 7 DG H1' H 5.40 0.000 1 55 18 7 DG H2' H 2.78 0.000 1 56 18 7 DG H2'' H 2.74 0.000 1 57 18 7 DG H3' H 5.03 0.000 1 58 18 7 DG H4' H 4.35 0.000 1 59 18 7 DG H5' H 4.20 0.000 2 60 18 7 DG H8 H 7.90 0.000 1 61 18 7 DG P P -2.96 0.000 1 62 19 8 DA H1' H 6.02 0.000 1 63 19 8 DA H2 H 7.90 0.000 1 64 19 8 DA H2' H 2.90 0.000 1 65 19 8 DA H2'' H 2.76 0.000 1 66 19 8 DA H3' H 5.08 0.000 1 67 19 8 DA H4' H 4.44 0.000 1 68 19 8 DA H5' H 4.18 0.000 2 69 19 8 DA H8 H 8.17 0.000 1 70 19 8 DA P P -3.65 0.000 1 71 20 9 DG H1 H 12.90 0.000 1 72 20 9 DG H1' H 5.80 0.000 1 73 20 9 DG H2' H 2.67 0.000 1 74 20 9 DG H2'' H 2.53 0.000 1 75 20 9 DG H3' H 5.00 0.000 1 76 20 9 DG H4' H 4.42 0.000 1 77 20 9 DG H8 H 7.73 0.000 1 78 20 9 DG P P -3.65 0.000 1 79 21 10 DC H1' H 5.78 0.000 1 80 21 10 DC H2' H 2.38 0.000 1 81 21 10 DC H2'' H 1.92 0.000 1 82 21 10 DC H3' H 4.85 0.000 1 83 21 10 DC H4' H 4.20 0.000 1 84 21 10 DC H5 H 5.36 0.000 1 85 21 10 DC H6 H 7.34 0.000 1 86 21 10 DC H41 H 6.30 0.000 2 87 21 10 DC H42 H 8.43 0.000 2 88 21 10 DC P P -3.63 0.000 1 89 22 11 DG H1 H 13.13 0.000 1 90 22 11 DG H1' H 6.20 0.000 1 91 22 11 DG H2' H 2.67 0.000 1 92 22 11 DG H2'' H 2.40 0.000 1 93 22 11 DG H3' H 4.71 0.000 1 94 22 11 DG H4' H 4.23 0.000 1 95 22 11 DG H5' H 4.11 0.000 2 96 22 11 DG H8 H 7.98 0.000 1 97 22 11 DG P P -3.55 0.000 1 stop_ save_