data_5135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of dAATAA DNA Bulge ; _BMRB_accession_number 5135 _BMRB_flat_file_name bmr5135.str _Entry_type original _Submission_date 2001-09-06 _Accession_date 2001-09-06 _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 Gollmick F. A. . 2 Lorenz M. . . 3 Dornberger U. . . 4 'von Langen' J. . . 5 Diekmann S. . . 6 Fritzsche H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 241 "31P chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-15 update BMRB 'update DNA residue label to two-letter code' 2002-08-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5134 'dAAUAA DNA Bulge: 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3'' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of dAATAA and dAAUAA DNA Bulges' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22055466 _PubMed_ID 12060684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gollmick F. A. . 2 Lorenz M. . . 3 Dornberger U. . . 4 'von Langen' J. . . 5 Diekmann S. . . 6 Fritzsche H. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 30 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2669 _Page_last 2677 _Year 2002 _Details . loop_ _Keyword 'DNA bulge' 'five-nucleotide bulge loop' 'deoxyribonucleic acid' stop_ save_ ################################## # Molecular system description # ################################## save_system_DNA_bulge _Saveframe_category molecular_system _Mol_system_name 'dAATAA DNA Bulge: 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3'' _Abbreviation_common 'DNA bulge' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3' $DNA_bulge_chain_A 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' $DNA_bulge_chain_B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimeric _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DNA_bulge_chain_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3' _Abbreviation_common 'dAATAA DNA Bulge' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GCATCGAATAAGCTACG loop_ _Residue_seq_code _Residue_label 1 DG 2 DC 3 DA 4 DT 5 DC 6 DG 7 DA 8 DA 9 DT 10 DA 11 DA 12 DG 13 DC 14 DT 15 DA 16 DC 17 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_bulge_chain_B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' _Abbreviation_common 'dAATAA DNA Bulge' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence CGTAGCCGATGC loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DT 4 DA 5 DG 6 DC 7 DC 8 DG 9 DA 10 DT 11 DG 12 DC 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 $DNA_bulge_chain_A . . . . . . $DNA_bulge_chain_B . . . . . . 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_bulge_chain_A 'chemical synthesis' . . . . . $DNA_bulge_chain_B '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_bulge_chain_A 1.6 mM . $DNA_bulge_chain_B 1.6 mM . 'phosphate buffer' 10 mM . NaCl 100 mM . EDTA 0.05 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3 loop_ _Task processing stop_ _Details 'Delaglio et al.' save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version 3.2 loop_ _Task 'iterative matrix relaxation' stop_ _Details 'Borgias, B.A., James, T.L.' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guentert, P., Mumenthaler, C., Wuetrich, K.' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5.0 loop_ _Task refinement 'data analysis' stop_ _Details 'Weiner, S.j., Kollman, P.A., Nguyen, D.T., Case, D.A.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_E-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _Sample_label $sample_1 save_ save_31P-1H_heteronuclear_correlated_3 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-1H heteronuclear correlated' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-1H heteronuclear correlated' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . n/a temperature 300 . K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label TMS H 1 'methyl protons' ppm 0.000 internal direct . . . $entry_citation $entry_citation H3PO4 P 31 PO4 ppm 0.000 external direct cylindrical external . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*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 . 1 DG H8 H 7.986 0.002 1 2 . 1 DG H1' H 6.012 0.002 1 3 . 1 DG H2' H 2.651 0.002 1 4 . 1 DG H2'' H 2.825 0.002 1 5 . 1 DG H3' H 4.881 0.002 1 6 . 1 DG H4' H 4.268 0.002 1 7 . 1 DG H5' H 3.751 0.002 1 8 . 1 DG H1 H 12.82 0.002 1 9 . 1 DG P P 0.741 0.002 1 10 . 2 DC H6 H 7.525 0.002 1 11 . 2 DC H5 H 5.487 0.002 1 12 . 2 DC H1' H 5.715 0.002 1 13 . 2 DC H2' H 2.227 0.002 1 14 . 2 DC H2'' H 2.534 0.002 1 15 . 2 DC H3' H 4.938 0.002 1 16 . 2 DC H4' H 4.256 0.002 1 17 . 2 DC P P 0.372 0.002 1 18 . 3 DA H8 H 8.416 0.002 1 19 . 3 DA H2 H 7.785 0.002 1 20 . 3 DA H1' H 6.357 0.002 1 21 . 3 DA H2' H 2.783 0.002 1 22 . 3 DA H2'' H 3.024 0.002 1 23 . 3 DA H3' H 5.090 0.002 1 24 . 3 DA H4' H 4.488 0.002 1 25 . 3 DA H5' H 4.157 0.002 1 26 . 3 DA H5'' H 4.240 0.002 1 27 . 3 DA P P 0.901 0.002 1 28 . 4 DT H6 H 7.228 0.002 1 29 . 4 DT H71 H 1.514 0.002 1 30 . 4 DT H72 H 1.514 0.002 1 31 . 4 DT H73 H 1.514 0.002 1 32 . 4 DT H1' H 5.952 0.002 1 33 . 4 DT H2' H 2.039 0.002 1 34 . 4 DT H2'' H 2.453 0.002 1 35 . 4 DT H3' H 4.886 0.002 1 36 . 4 DT H4' H 4.202 0.002 1 37 . 4 DT H5' H 4.344 0.002 1 38 . 4 DT H5'' H 4.199 0.002 1 39 . 4 DT H3 H 13.64 0.002 1 40 . 4 DT P P 0.663 0.002 1 41 . 5 DC H6 H 7.486 0.002 1 42 . 5 DC H5 H 5.705 0.002 1 43 . 5 DC H1' H 5.487 0.002 1 44 . 5 DC H2' H 2.003 0.002 1 45 . 5 DC H2'' H 2.315 0.002 1 46 . 5 DC H3' H 4.830 0.002 1 47 . 5 DC H4' H 4.098 0.002 1 48 . 5 DC P P 0.329 0.002 1 49 . 6 DG H8 H 7.813 0.002 1 50 . 6 DG H1' H 5.658 0.002 1 51 . 6 DG H2' H 2.542 0.002 1 52 . 6 DG H2'' H 2.668 0.002 1 53 . 6 DG H3' H 4.960 0.002 1 54 . 6 DG H4' H 4.321 0.002 1 55 . 6 DG H5' H 4.013 0.002 1 56 . 6 DG H1 H 12.77 0.002 1 57 . 6 DG P P 0.846 0.002 1 58 . 7 DA H8 H 7.816 0.002 1 59 . 7 DA H2 H 7.535 0.002 1 60 . 7 DA H1' H 5.862 0.002 1 61 . 7 DA H2' H 2.236 0.002 1 62 . 7 DA H2'' H 2.525 0.002 1 63 . 7 DA H3' H 4.883 0.002 1 64 . 7 DA H4' H 4.275 0.002 1 65 . 8 DA H8 H 8.071 0.002 1 66 . 8 DA H2 H 7.678 0.002 1 67 . 8 DA H1' H 5.983 0.002 1 68 . 8 DA H2' H 2.517 0.002 1 69 . 8 DA H2'' H 2.516 0.002 1 70 . 8 DA H3' H 4.869 0.002 1 71 . 8 DA H4' H 4.256 0.002 1 72 . 8 DA H5' H 4.065 0.002 1 73 . 8 DA H5'' H 4.122 0.002 1 74 . 8 DA P P 0.760 0.002 1 75 . 9 DT H6 H 6.976 0.002 1 76 . 9 DT H71 H 1.500 0.002 1 77 . 9 DT H72 H 1.500 0.002 1 78 . 9 DT H73 H 1.500 0.002 1 79 . 9 DT H1' H 5.688 0.002 1 80 . 9 DT H2' H 1.603 0.002 1 81 . 9 DT H2'' H 1.956 0.002 1 82 . 9 DT H3' H 4.532 0.002 1 83 . 9 DT H4' H 3.747 0.002 1 84 . 9 DT H5' H 3.833 0.002 1 85 . 9 DT H5'' H 3.711 0.002 1 86 . 9 DT P P 0.671 0.002 1 87 . 10 DA H8 H 7.906 0.002 1 88 . 10 DA H2 H 7.785 0.002 1 89 . 10 DA H1' H 5.786 0.002 1 90 . 10 DA H2' H 2.370 0.002 1 91 . 10 DA H2'' H 2.471 0.002 1 92 . 10 DA H3' H 4.777 0.002 1 93 . 10 DA H4' H 4.047 0.002 1 94 . 10 DA H5' H 3.782 0.002 1 95 . 10 DA H5'' H 3.699 0.002 1 96 . 10 DA P P 0.944 0.002 1 97 . 11 DA H8 H 8.048 0.002 1 98 . 11 DA H2 H 7.611 0.002 1 99 . 11 DA H1' H 5.338 0.002 1 100 . 11 DA H2' H 2.501 0.002 1 101 . 11 DA H2'' H 2.522 0.002 1 102 . 11 DA H3' H 4.875 0.002 1 103 . 11 DA H4' H 4.263 0.002 1 104 . 11 DA P P 0.083 0.002 1 105 . 12 DG H8 H 7.918 0.002 1 106 . 12 DG H1' H 5.843 0.002 1 107 . 12 DG H2' H 2.722 0.002 1 108 . 12 DG H2'' H 2.722 0.002 1 109 . 12 DG H3' H 5.005 0.002 1 110 . 12 DG H4' H 4.398 0.002 1 111 . 12 DG H1 H 12.51 0.002 1 112 . 12 DG P P 0.627 0.002 1 113 . 13 DC H6 H 7.447 0.002 1 114 . 13 DC H5 H 5.364 0.002 1 115 . 13 DC H1' H 5.986 0.002 1 116 . 13 DC H2' H 2.093 0.002 1 117 . 13 DC H2'' H 2.510 0.002 1 118 . 13 DC H3' H 4.777 0.002 1 119 . 13 DC H4' H 4.264 0.002 1 120 . 13 DC P P 0.863 0.002 1 121 . 14 DT H6 H 7.436 0.002 1 122 . 14 DT H71 H 1.706 0.002 1 123 . 14 DT H72 H 1.706 0.002 1 124 . 14 DT H73 H 1.706 0.002 1 125 . 14 DT H1' H 5.684 0.002 1 126 . 14 DT H2' H 2.164 0.002 1 127 . 14 DT H2'' H 2.482 0.002 1 128 . 14 DT H3' H 4.919 0.002 1 129 . 14 DT H4' H 4.197 0.002 1 130 . 14 DT H3 H 13.85 0.002 1 131 . 14 DT P P 0.638 0.002 1 132 . 15 DA H8 H 8.360 0.002 1 133 . 15 DA H2 H 7.585 0.002 1 134 . 15 DA H1' H 6.243 0.002 1 135 . 15 DA H2' H 2.759 0.002 1 136 . 15 DA H2'' H 2.892 0.002 1 137 . 15 DA H3' H 5.077 0.002 1 138 . 15 DA H4' H 4.476 0.002 1 139 . 15 DA H5' H 4.134 0.002 1 140 . 15 DA H5'' H 4.205 0.002 1 141 . 15 DA P P 0.639 0.002 1 142 . 16 DC H6 H 7.320 0.002 1 143 . 16 DC H5 H 5.414 0.002 1 144 . 16 DC H1' H 5.687 0.002 1 145 . 16 DC H2' H 1.883 0.002 1 146 . 16 DC H2'' H 2.314 0.002 1 147 . 16 DC H3' H 4.807 0.002 1 148 . 16 DC H4' H 4.188 0.002 1 149 . 16 DC H5' H 4.296 0.002 1 150 . 16 DC P P 0.405 0.002 1 151 . 17 DG H8 H 7.918 0.002 1 152 . 17 DG H1' H 6.156 0.002 1 153 . 17 DG H2' H 2.606 0.002 1 154 . 17 DG H2'' H 2.384 0.002 1 155 . 17 DG H3' H 4.680 0.002 1 156 . 17 DG H4' H 4.188 0.002 1 157 . 17 DG H5' H 4.102 0.002 1 158 . 17 DG H5'' H 4.079 0.002 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*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 DC H6 H 7.673 0.002 1 2 . 1 DC H5 H 5.937 0.002 1 3 . 1 DC H1' H 5.808 0.002 1 4 . 1 DC H2' H 2.061 0.002 1 5 . 1 DC H2'' H 2.462 0.002 1 6 . 1 DC H3' H 4.729 0.002 1 7 . 1 DC H4' H 4.096 0.002 1 8 . 1 DC H5' H 3.747 0.002 1 9 . 1 DC P P 0.535 0.002 1 10 . 2 DG H8 H 8.010 0.002 1 11 . 2 DG H1' H 6.005 0.002 1 12 . 2 DG H2' H 2.705 0.002 1 13 . 2 DG H2'' H 2.815 0.002 1 14 . 2 DG H3' H 4.998 0.002 1 15 . 2 DG H4' H 4.386 0.002 1 16 . 2 DG H1 H 12.84 0.002 1 17 . 2 DG P P 0.978 0.002 1 18 . 3 DT H6 H 7.288 0.002 1 19 . 3 DT H71 H 1.526 0.002 1 20 . 3 DT H72 H 1.526 0.002 1 21 . 3 DT H73 H 1.526 0.002 1 22 . 3 DT H1' H 5.650 0.002 1 23 . 3 DT H2' H 2.116 0.002 1 24 . 3 DT H2'' H 2.432 0.002 1 25 . 3 DT H3' H 4.895 0.002 1 26 . 3 DT H4' H 4.207 0.002 1 27 . 3 DT H3 H 13.63 0.002 1 28 . 3 DT P P 0.594 0.002 1 29 . 4 DA H8 H 8.223 0.002 1 30 . 4 DA H2 H 7.486 0.002 1 31 . 4 DA H1' H 6.081 0.002 1 32 . 4 DA H2' H 2.760 0.002 1 33 . 4 DA H2'' H 2.927 0.002 1 34 . 4 DA H3' H 5.087 0.002 1 35 . 4 DA H4' H 4.442 0.002 1 36 . 4 DA H5' H 4.194 0.002 1 37 . 4 DA H5'' H 4.072 0.002 1 38 . 4 DA P P 0.646 0.002 1 39 . 5 DG H8 H 7.702 0.002 1 40 . 5 DG H1' H 5.806 0.002 1 41 . 5 DG H2' H 2.517 0.002 1 42 . 5 DG H2'' H 2.685 0.002 1 43 . 5 DG H3' H 5.040 0.002 1 44 . 5 DG H4' H 4.421 0.002 1 45 . 5 DG H1 H 12.72 0.002 1 46 . 5 DG P P 0.645 0.002 1 47 . 6 DC H6 H 7.494 0.002 1 48 . 6 DC H5 H 5.436 0.002 1 49 . 6 DC H1' H 6.288 0.002 1 50 . 6 DC H2' H 2.291 0.002 1 51 . 6 DC H2'' H 2.319 0.002 1 52 . 6 DC H3' H 4.819 0.002 1 53 . 6 DC H4' H 4.345 0.002 1 54 . 6 DC P P 0.271 0.002 1 55 . 7 DC H6 H 7.822 0.002 1 56 . 7 DC H5 H 6.139 0.002 1 57 . 7 DC H1' H 5.989 0.002 1 58 . 7 DC H2' H 2.188 0.002 1 59 . 7 DC H2'' H 2.570 0.002 1 60 . 7 DC H3' H 4.976 0.002 1 61 . 7 DC H4' H 4.333 0.002 1 62 . 7 DC P P 0.708 0.002 1 63 . 8 DG H8 H 7.995 0.002 1 64 . 8 DG H1' H 5.541 0.002 1 65 . 8 DG H2' H 2.748 0.002 1 66 . 8 DG H2'' H 2.813 0.002 1 67 . 8 DG H3' H 5.034 0.002 1 68 . 8 DG H4' H 4.342 0.002 1 69 . 8 DG H5' H 4.072 0.002 1 70 . 8 DG H5'' H 4.143 0.002 1 71 . 8 DG H1 H 12.82 0.002 1 72 . 8 DG P P 0.462 0.002 1 73 . 9 DA H8 H 8.265 0.002 1 74 . 9 DA H2 H 7.857 0.002 1 75 . 9 DA H1' H 6.285 0.002 1 76 . 9 DA H2' H 2.679 0.002 1 77 . 9 DA H2'' H 2.955 0.002 1 78 . 9 DA H3' H 5.047 0.002 1 79 . 9 DA H4' H 4.482 0.002 1 80 . 9 DA H5' H 4.234 0.002 1 81 . 9 DA P P 0.888 0.002 1 82 . 10 DT H6 H 7.110 0.002 1 83 . 10 DT H71 H 1.435 0.002 1 84 . 10 DT H72 H 1.435 0.002 1 85 . 10 DT H73 H 1.435 0.002 1 86 . 10 DT H1' H 5.775 0.002 1 87 . 10 DT H2' H 1.968 0.002 1 88 . 10 DT H2'' H 2.372 0.002 1 89 . 10 DT H3' H 4.877 0.002 1 90 . 10 DT H4' H 4.158 0.002 1 91 . 10 DT H5' H 4.282 0.002 1 92 . 10 DT H3 H 13.65 0.002 1 93 . 10 DT P P 0.666 0.002 1 94 . 11 DG H8 H 7.885 0.002 1 95 . 11 DG H1' H 5.951 0.002 1 96 . 11 DG H2' H 2.623 0.002 1 97 . 11 DG H2'' H 2.720 0.002 1 98 . 11 DG H3' H 4.987 0.002 1 99 . 11 DG H4' H 4.377 0.002 1 100 . 11 DG H1 H 12.82 0.002 1 101 . 11 DG P P 0.429 0.002 1 102 . 12 DC H6 H 7.481 0.002 1 103 . 12 DC H5 H 5.465 0.002 1 104 . 12 DC H1' H 6.219 0.002 1 105 . 12 DC H2' H 2.192 0.002 1 106 . 12 DC H2'' H 2.231 0.002 1 107 . 12 DC H3' H 4.515 0.002 1 108 . 12 DC H4' H 4.084 0.002 1 109 . 12 DC H5' H 4.262 0.002 1 stop_ save_