data_15360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of a DNA Dodecamer Duplex ; _BMRB_accession_number 15360 _BMRB_flat_file_name bmr15360.str _Entry_type original _Submission_date 2007-07-02 _Accession_date 2007-07-02 _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 Bhattacharyya D. . . 2 Wu Y. . . 3 Chaney S. . . 4 Campbell S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 266 "31P chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-15 update BMRB 'update DNA residue label to two-letter code' 2008-09-09 update BMRB 'update the names of entities' 2008-02-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of a DNA dodecamer duplex with and without a cisplatin 1,2-d(GG) intrastrand cross-link: comparison with the same DNA duplex containing an oxaliplatin 1,2-d(GG) intrastrand cross-link' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17497831 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Y. . . 2 Bhattacharyya D. . . 3 King C. . . 4 Baskerville-Abraham I. . . 5 Huh S. -H. . 6 Boysen G. . . 7 Swenberg J. . . 8 Temple B. . . 9 Campbell S. . . 10 Chaney S. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6477 _Page_last 6487 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA 12mer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA 12mer, chain 1' $CCTCAGGCCTCC 'DNA 12mer, chain 2' $GGAGGCCTGAGG 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_CCTCAGGCCTCC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common CCTCAGGCCTCC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence CCTCAGGCCTCC loop_ _Residue_seq_code _Residue_label 1 DC 2 DC 3 DT 4 DC 5 DA 6 DG 7 DG 8 DC 9 DC 10 DT 11 DC 12 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_GGAGGCCTGAGG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common GGAGGCCTGAGG _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence GGAGGCCTGAGG loop_ _Residue_seq_code _Residue_label 1 DG 2 DG 3 DA 4 DG 5 DG 6 DC 7 DC 8 DT 9 DG 10 DA 11 DG 12 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CCTCAGGCCTCC Human 9606 Eukaryota Metazoa Homo sapiens $GGAGGCCTGAGG Human 9606 Eukaryota Metazoa Homo sapiens 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 $CCTCAGGCCTCC 'recombinant technology' . Escherichia coli . pBR322 $GGAGGCCTGAGG 'recombinant technology' . Escherichia coli . pBR322 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100 mM NaCl, 5 mM phosphate buffer, pH 7.0, 95% H2O, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCTCAGGCCTCC 1.0 mM 'natural abundance' $GGAGGCCTGAGG 1.0 mM 'natural abundance' NaCl 100 mM 'natural abundance' 'phosphate buffer' 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '100 mM NaCl, 5 mM phosphate buffer, pH 7.0, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCTCAGGCCTCC 1.0 mM 'natural abundance' $GGAGGCCTGAGG 1.0 mM 'natural abundance' NaCl 100 mM 'natural abundance' 'phosphate buffer' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_1H_31P_HETCOR_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H 31P HETCOR' _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' 105 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 . . direct . . . 1 'trimethyl phosphate' P 31 phosphorus ppm 0.0 . 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 NOESY' '2D TOCSY' DQF-COSY '2D 1H 31P HETCOR' 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 12mer, chain 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 6.004 0.02 . 2 1 1 DC H2' H 2.292 0.02 . 3 1 1 DC H2'' H 2.589 0.02 . 4 1 1 DC H3' H 4.697 0.02 . 5 1 1 DC H4' H 4.144 0.02 . 6 1 1 DC H5 H 5.972 0.02 . 7 1 1 DC H5' H 3.824 0.02 . 8 1 1 DC H5'' H 3.789 0.02 . 9 1 1 DC H6 H 7.828 0.02 . 10 1 1 DC H41 H 7.895 0.02 . 11 1 1 DC H42 H 7.134 0.02 . 12 1 1 DC P P -4.09 0.02 . 13 2 2 DC H1' H 6.055 0.02 . 14 2 2 DC H2' H 2.222 0.02 . 15 2 2 DC H2'' H 2.554 0.02 . 16 2 2 DC H3' H 4.842 0.02 . 17 2 2 DC H4' H 4.234 0.02 . 18 2 2 DC H5 H 5.707 0.02 . 19 2 2 DC H5' H 4.156 0.02 . 20 2 2 DC H5'' H 4.125 0.02 . 21 2 2 DC H6 H 7.711 0.02 . 22 2 2 DC H41 H 8.462 0.02 . 23 2 2 DC H42 H 7.153 0.02 . 24 2 2 DC P P -4.34 0.02 . 25 3 3 DT H1' H 6.089 0.02 . 26 3 3 DT H2' H 2.207 0.02 . 27 3 3 DT H2'' H 2.527 0.02 . 28 3 3 DT H3 H 13.93 0.02 . 29 3 3 DT H3' H 4.900 0.02 . 30 3 3 DT H4' H 4.226 0.02 . 31 3 3 DT H5' H 4.152 0.02 . 32 3 3 DT H5'' H 4.117 0.02 . 33 3 3 DT H6 H 7.475 0.02 . 34 3 3 DT H71 H 1.679 0.02 . 35 3 3 DT H72 H 1.679 0.02 . 36 3 3 DT H73 H 1.679 0.02 . 37 3 3 DT P P -4.34 0.02 . 38 4 4 DC H1' H 5.379 0.02 . 39 4 4 DC H2' H 2.070 0.02 . 40 4 4 DC H2'' H 2.332 0.02 . 41 4 4 DC H3' H 4.841 0.02 . 42 4 4 DC H4' H 4.109 0.02 . 43 4 4 DC H5 H 5.738 0.02 . 44 4 4 DC H5' H 4.100 0.02 . 45 4 4 DC H5'' H 4.100 0.02 . 46 4 4 DC H6 H 7.551 0.02 . 47 4 4 DC H41 H 7.739 0.02 . 48 4 4 DC H42 H 5.747 0.02 . 49 4 4 DC P P -3.80 0.02 . 50 5 5 DA H1' H 5.957 0.02 . 51 5 5 DA H2 H 7.625 0.02 . 52 5 5 DA H2' H 2.714 0.02 . 53 5 5 DA H2'' H 2.870 0.02 . 54 5 5 DA H3' H 5.05 0.02 . 55 5 5 DA H4' H 4.388 0.02 . 56 5 5 DA H5' H 4.129 0.02 . 57 5 5 DA H5'' H 4.035 0.02 . 58 5 5 DA H8 H 8.170 0.02 . 59 5 5 DA H61 H 7.602 0.02 . 60 5 5 DA H62 H 6.391 0.02 . 61 5 5 DA P P -4.14 0.02 . 62 6 6 DG H1 H 12.97 0.02 . 63 6 6 DG H1' H 5.566 0.02 . 64 6 6 DG H2' H 2.539 0.02 . 65 6 6 DG H2'' H 2.648 0.02 . 66 6 6 DG H3' H 4.974 0.02 . 67 6 6 DG H4' H 4.353 0.02 . 68 6 6 DG H5' H 4.172 0.02 . 69 6 6 DG H5'' H 4.121 0.02 . 70 6 6 DG H8 H 7.621 0.02 . 71 6 6 DG H21 H 7.387 0.02 . 72 6 6 DG H22 H 5.239 0.02 . 73 6 6 DG P P -4.06 0.02 . 74 7 7 DG H1 H 12.93 0.02 . 75 7 7 DG H1' H 5.855 0.02 . 76 7 7 DG H2' H 2.515 0.02 . 77 7 7 DG H2'' H 2.671 0.02 . 78 7 7 DG H3' H 4.908 0.02 . 79 7 7 DG H4' H 4.375 0.02 . 80 7 7 DG H5' H 4.191 0.02 . 81 7 7 DG H5'' H 4.175 0.02 . 82 7 7 DG H8 H 7.619 0.02 . 83 7 7 DG H21 H 7.602 0.02 . 84 7 7 DG H22 H 6.977 0.02 . 85 7 7 DG P P -4.20 0.02 . 86 8 8 DC H1' H 5.922 0.02 . 87 8 8 DC H2' H 2.210 0.02 . 88 8 8 DC H2'' H 2.488 0.02 . 89 8 8 DC H3' H 4.914 0.02 . 90 8 8 DC H4' H 4.346 0.02 . 91 8 8 DC H5 H 5.215 0.02 . 92 8 8 DC H5' H 4.215 0.02 . 93 8 8 DC H5'' H 4.144 0.02 . 94 8 8 DC H6 H 7.346 0.02 . 95 8 8 DC H41 H 7.973 0.02 . 96 8 8 DC H42 H 6.450 0.02 . 97 8 8 DC P P -3.87 0.02 . 98 9 9 DC H1' H 5.887 0.02 . 99 9 9 DC H2' H 2.144 0.02 . 100 9 9 DC H2'' H 2.519 0.02 . 101 9 9 DC H3' H 4.740 0.02 . 102 9 9 DC H4' H 4.218 0.02 . 103 9 9 DC H5 H 5.527 0.02 . 104 9 9 DC H5' H 4.172 0.02 . 105 9 9 DC H5'' H 4.109 0.02 . 106 9 9 DC H6 H 7.545 0.02 . 107 9 9 DC H41 H 8.129 0.02 . 108 9 9 DC H42 H 6.977 0.02 . 109 9 9 DC P P -4.36 0.02 . 110 10 10 DT H1' H 6.094 0.02 . 111 10 10 DT H2' H 2.229 0.02 . 112 10 10 DT H2'' H 2.570 0.02 . 113 10 10 DT H3' H 4.906 0.02 . 114 10 10 DT H4' H 4.222 0.02 . 115 10 10 DT H5' H 4.160 0.02 . 116 10 10 DT H5'' H 4.105 0.02 . 117 10 10 DT H6 H 7.508 0.02 . 118 10 10 DT H71 H 1.651 0.02 . 119 10 10 DT H72 H 1.651 0.02 . 120 10 10 DT H73 H 1.651 0.02 . 121 10 10 DT P P -4.35 0.02 . 122 11 11 DC H1' H 6.098 0.02 . 123 11 11 DC H2' H 2.242 0.02 . 124 11 11 DC H2'' H 2.502 0.02 . 125 11 11 DC H3' H 4.861 0.02 . 126 11 11 DC H4' H 4.215 0.02 . 127 11 11 DC H5 H 5.793 0.02 . 128 11 11 DC H5' H 4.179 0.02 . 129 11 11 DC H5'' H 4.113 0.02 . 130 11 11 DC H6 H 7.623 0.02 . 131 11 11 DC H41 H 8.618 0.02 . 132 11 11 DC H42 H 7.153 0.02 . 133 11 11 DC P P -3.87 0.02 . 134 12 12 DC H1' H 6.250 0.02 . 135 12 12 DC H2' H 2.292 0.02 . 136 12 12 DC H2'' H 2.587 0.02 . 137 12 12 DC H3' H 4.570 0.02 . 138 12 12 DC H4' H 4.175 0.02 . 139 12 12 DC H5 H 5.820 0.02 . 140 12 12 DC H5' H 4.054 0.02 . 141 12 12 DC H5'' H 4.054 0.02 . 142 12 12 DC H6 H 7.684 0.02 . 143 12 12 DC H41 H 7.895 0.02 . 144 12 12 DC H42 H 6.958 0.02 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '2D TOCSY' DQF-COSY '2D 1H 31P HETCOR' 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 12mer, chain 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 13 1 DG H1 H 13.31 0.02 . 2 13 1 DG H1' H 5.633 0.02 . 3 13 1 DG H2' H 2.476 0.02 . 4 13 1 DG H2'' H 2.648 0.02 . 5 13 1 DG H3' H 4.818 0.02 . 6 13 1 DG H4' H 4.167 0.02 . 7 13 1 DG H5' H 3.828 0.02 . 8 13 1 DG H5'' H 3.664 0.02 . 9 13 1 DG H8 H 7.838 0.02 . 10 13 1 DG H21 H 7.114 0.02 . 11 13 1 DG H22 H 5.942 0.02 . 12 13 1 DG P P -3.98 0.02 . 13 14 2 DG H1 H 12.96 0.02 . 14 14 2 DG H1' H 5.521 0.02 . 15 14 2 DG H2' H 2.694 0.02 . 16 14 2 DG H2'' H 2.781 0.02 . 17 14 2 DG H3' H 5.019 0.02 . 18 14 2 DG H4' H 4.355 0.02 . 19 14 2 DG H5' H 4.136 0.02 . 20 14 2 DG H5'' H 4.054 0.02 . 21 14 2 DG H8 H 7.854 0.02 . 22 14 2 DG H21 H 7.173 0.02 . 23 14 2 DG H22 H 5.532 0.02 . 24 14 2 DG P P -4.08 0.02 . 25 15 3 DA H1' H 6.081 0.02 . 26 15 3 DA H2 H 7.851 0.02 . 27 15 3 DA H2' H 2.683 0.02 . 28 15 3 DA H2'' H 2.914 0.02 . 29 15 3 DA H3' H 5.081 0.02 . 30 15 3 DA H4' H 4.450 0.02 . 31 15 3 DA H5' H 4.230 0.02 . 32 15 3 DA H5'' H 4.164 0.02 . 33 15 3 DA H8 H 8.104 0.02 . 34 15 3 DA H61 H 7.759 0.02 . 35 15 3 DA H62 H 5.941 0.02 . 36 15 3 DA P P -4.20 0.02 . 37 16 4 DG H1 H 13.02 0.02 . 38 16 4 DG H1' H 5.629 0.02 . 39 16 4 DG H2' H 2.539 0.02 . 40 16 4 DG H2'' H 2.657 0.02 . 41 16 4 DG H3' H 4.995 0.02 . 42 16 4 DG H4' H 4.386 0.02 . 43 16 4 DG H5' H 4.218 0.02 . 44 16 4 DG H5'' H 4.218 0.02 . 45 16 4 DG H8 H 7.593 0.02 . 46 16 4 DG H21 H 8.364 0.02 . 47 16 4 DG H22 H 5.532 0.02 . 48 16 4 DG P P -3.80 0.02 . 49 17 5 DG H1 H 12.78 0.02 . 50 17 5 DG H1' H 5.894 0.02 . 51 17 5 DG H2' H 2.527 0.02 . 52 17 5 DG H2'' H 2.700 0.02 . 53 17 5 DG H3' H 4.937 0.02 . 54 17 5 DG H4' H 4.413 0.02 . 55 17 5 DG H5' H 4.214 0.02 . 56 17 5 DG H5'' H 4.136 0.02 . 57 17 5 DG H8 H 7.621 0.02 . 58 17 5 DG H21 H 8.667 0.02 . 59 17 5 DG H22 H 7.173 0.02 . 60 17 5 DG P P -4.23 0.02 . 61 18 6 DC H1' H 5.973 0.02 . 62 18 6 DC H2' H 2.171 0.02 . 63 18 6 DC H2'' H 2.515 0.02 . 64 18 6 DC H3' H 4.826 0.02 . 65 18 6 DC H4' H 4.241 0.02 . 66 18 6 DC H5 H 5.209 0.02 . 67 18 6 DC H5' H 4.152 0.02 . 68 18 6 DC H5'' H 4.152 0.02 . 69 18 6 DC H6 H 7.355 0.02 . 70 18 6 DC H41 H 8.423 0.02 . 71 18 6 DC H42 H 6.450 0.02 . 72 18 6 DC P P -4.20 0.02 . 73 19 7 DC H1' H 5.914 0.02 . 74 19 7 DC H2' H 2.058 0.02 . 75 19 7 DC H2'' H 2.472 0.02 . 76 19 7 DC H3' H 4.840 0.02 . 77 19 7 DC H4' H 4.156 0.02 . 78 19 7 DC H5 H 5.512 0.02 . 79 19 7 DC H5' H 4.105 0.02 . 80 19 7 DC H5'' H 4.105 0.02 . 81 19 7 DC H6 H 7.514 0.02 . 82 19 7 DC H41 H 8.130 0.02 . 83 19 7 DC H42 H 6.450 0.02 . 84 19 7 DC P P -4.40 0.02 . 85 20 8 DT H1' H 5.652 0.02 . 86 20 8 DT H2' H 2.015 0.02 . 87 20 8 DT H2'' H 2.343 0.02 . 88 20 8 DT H3 H 13.98 0.02 . 89 20 8 DT H3' H 4.857 0.02 . 90 20 8 DT H4' H 4.117 0.02 . 91 20 8 DT H5' H 4.093 0.02 . 92 20 8 DT H5'' H 4.058 0.02 . 93 20 8 DT H6 H 7.316 0.02 . 94 20 8 DT H71 H 1.663 0.02 . 95 20 8 DT H72 H 1.663 0.02 . 96 20 8 DT H73 H 1.663 0.02 . 97 20 8 DT P P -4.16 0.02 . 98 21 9 DG H1 H 12.77 0.02 . 99 21 9 DG H1' H 5.418 0.02 . 100 21 9 DG H2' H 2.695 0.02 . 101 21 9 DG H2'' H 2.741 0.02 . 102 21 9 DG H3' H 5.000 0.02 . 103 21 9 DG H4' H 4.320 0.02 . 104 21 9 DG H5' H 4.093 0.02 . 105 21 9 DG H5'' H 4.015 0.02 . 106 21 9 DG H8 H 7.908 0.02 . 107 21 9 DG H21 H 8.657 0.02 . 108 21 9 DG H22 H 7.074 0.02 . 109 21 9 DG P P -4.03 0.02 . 110 22 10 DA H1' H 5.972 0.02 . 111 22 10 DA H2 H 7.910 0.02 . 112 22 10 DA H2' H 2.628 0.02 . 113 22 10 DA H2'' H 2.831 0.02 . 114 22 10 DA H3' H 5.042 0.02 . 115 22 10 DA H4' H 4.412 0.02 . 116 22 10 DA H5' H 4.183 0.02 . 117 22 10 DA H5'' H 4.148 0.02 . 118 22 10 DA H8 H 8.098 0.02 . 119 22 10 DA H61 H 7.973 0.02 . 120 22 10 DA H62 H 5.981 0.02 . 121 22 10 DA P P -4.23 0.02 . 122 23 11 DG H1 H 13.06 0.02 . 123 23 11 DG H1' H 5.617 0.02 . 124 23 11 DG H2' H 2.496 0.02 . 125 23 11 DG H2'' H 2.644 0.02 . 126 23 11 DG H3' H 4.957 0.02 . 127 23 11 DG H4' H 4.339 0.02 . 128 23 11 DG H5' H 4.167 0.02 . 129 23 11 DG H5'' H 4.105 0.02 . 130 23 11 DG H8 H 7.623 0.02 . 131 23 11 DG H21 H 8.120 0.02 . 132 23 11 DG H22 H 7.387 0.02 . 133 23 11 DG P P -4.02 0.02 . 134 24 12 DG H1 H 13.32 0.02 . 135 24 12 DG H1' H 6.121 0.02 . 136 24 12 DG H2' H 2.424 0.02 . 137 24 12 DG H2'' H 2.351 0.02 . 138 24 12 DG H3' H 4.601 0.02 . 139 24 12 DG H4' H 4.207 0.02 . 140 24 12 DG H5' H 4.101 0.02 . 141 24 12 DG H5'' H 4.101 0.02 . 142 24 12 DG H8 H 7.674 0.02 . 143 24 12 DG H21 H 8.354 0.02 . 144 24 12 DG H22 H 6.977 0.02 . stop_ save_