data_25903 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Glucose as non natural nucleobase ; _BMRB_accession_number 25903 _BMRB_flat_file_name bmr25903.str _Entry_type original _Submission_date 2015-11-20 _Accession_date 2015-11-20 _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 Gomez-Pinto Irene . . 2 Vengut-Climent Empar . . 3 Lucas Ricardo . . 4 Avino Anna . . 5 Eritja Ramon . . 6 Gonzalez-Ibanez Carlos . . 7 Morales 'Juan Carlos' . . 8 Penalver Pablo . . 9 Fonseca-Guerra Celia . . 10 Bickelhaupt Matthias . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25906 'Glucose as a nuclease mimic in DNA, at residue 6' stop_ _Original_release_date 2016-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27328804 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vengut-Climent Empar . . 2 Gomez-Pinto Irene . . 3 Lucas Ricardo . . 4 Penalver Pablo . . 5 Avino Anna . . 6 Fonseca-Guerra Celia . . 7 Bickelhaupt Matthias . . 8 Eritja Ramon . . 9 Gonzalez-Ibanez Carlos . . 10 Morales 'Juan Carlos' . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_volume 55 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8643 _Page_last 8647 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Glucose in a DNA double helix' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "DNA (5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3')" $DNA_(5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') "DNA (5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3')" $DNA_(5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*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*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') _Molecular_mass 3638.409 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence ; CTAGCGGTCATC ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DA 4 DG 5 DC 6 DG 7 DG 8 DT 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*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3') _Molecular_mass 3667.453 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence ; GATGACXGCTAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 DG 2 14 DA 3 15 DT 4 16 DG 5 17 DA 6 18 DC 7 19 4JA 8 20 DG 9 21 DC 10 22 DT 11 23 DA 12 24 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_4JA _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common '(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate' _BMRB_code 4JA _PDB_code 4JA _Standard_residue_derivative . _Molecular_mass 318.215 _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 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C3' C3' C . 0 . ? C2' C2' C . 0 . ? O1 O1 O . 0 . ? O3' O3' O . 0 . ? HO2 HO2 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H63 H63 H . 0 . ? HOP2 HOP2 H . 0 . ? H5'' H5'' H . 0 . ? H5' H5' H . 0 . ? H3' H3' H . 0 . ? H2'' H2'' H . 0 . ? H2' H2' H . 0 . ? HO3' HO3' H . 0 . ? OP3 OP3 O . 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 OP2 P ? ? SING C6 C5 ? ? SING P O5' ? ? DOUB P OP1 ? ? SING O5' C5' ? ? SING C5 O5 ? ? SING C5 C4 ? ? SING O5 C1 ? ? SING C5' C3' ? ? SING C3' C2' ? ? SING C3' O3' ? ? SING C2' O1 ? ? SING O4 C4 ? ? SING C4 C3 ? ? SING C1 O1 ? ? SING C1 C2 ? ? SING C3 C2 ? ? SING C3 O3 ? ? SING C2 O2 ? ? SING O2 HO2 ? ? SING O3 HO3 ? ? SING O4 HO4 ? ? SING C1 H1 ? ? SING C2 H2 ? ? SING C3 H3 ? ? SING C4 H4 ? ? SING C5 H5 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C6 H63 ? ? SING OP2 HOP2 ? ? SING C5' H5'' ? ? SING C5' H5' ? ? SING C3' H3' ? ? SING C2' H2'' ? ? SING C2' H2' ? ? SING O3' HO3' ? ? SING P OP3 ? ? SING OP3 HOP3 ? ? 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*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') Human 9606 Eukaryota Metazoa . . $DNA_(5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*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*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') 'chemical synthesis' . . . . . $DNA_(5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*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*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') 1 mM 'natural abundance' $DNA_(5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3') 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' processing refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _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' 10 . mM pH 7 . pH pressure 1 . atm temperature 279.6 . 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 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 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 1H-1H TOCSY' '2D 1H-1H COSY' 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*AP*GP*CP*GP*GP*TP*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 5.890 0.020 . 2 1 1 DC H2' H 2.170 0.020 . 3 1 1 DC H2'' H 2.550 0.020 . 4 1 1 DC H3' H 4.689 0.047 . 5 1 1 DC H4' H 4.108 0.008 . 6 1 1 DC H5 H 5.960 0.020 . 7 1 1 DC H5' H 3.793 0.008 . 8 1 1 DC H5'' H 3.793 0.008 . 9 1 1 DC H6 H 7.880 0.022 . 10 1 1 DC H41 H 7.230 0.016 . 11 1 1 DC H42 H 8.010 0.019 . 12 2 2 DT H1' H 5.500 0.020 . 13 2 2 DT H2' H 2.260 0.022 . 14 2 2 DT H2'' H 2.480 0.018 . 15 2 2 DT H3 H 14.020 0.020 . 16 2 2 DT H4' H 4.160 0.020 . 17 2 2 DT H5' H 4.010 0.020 . 18 2 2 DT H5'' H 4.010 0.020 . 19 2 2 DT H6 H 7.610 0.024 . 20 2 2 DT H71 H 1.740 0.020 . 21 2 2 DT H72 H 1.740 0.020 . 22 2 2 DT H73 H 1.740 0.020 . 23 3 3 DA H1' H 6.100 0.018 . 24 3 3 DA H2 H 7.640 0.020 . 25 3 3 DA H2' H 2.910 0.020 . 26 3 3 DA H2'' H 2.780 0.020 . 27 3 3 DA H4' H 4.350 0.012 . 28 3 3 DA H8 H 8.257 0.017 . 29 3 3 DA H61 H 6.680 0.020 . 30 3 3 DA H62 H 7.970 0.021 . 31 4 4 DG H1 H 12.750 0.020 . 32 4 4 DG H1' H 5.590 0.020 . 33 4 4 DG H2' H 2.520 0.005 . 34 4 4 DG H2'' H 2.520 0.005 . 35 4 4 DG H4' H 4.356 0.050 . 36 4 4 DG H8 H 7.770 0.020 . 37 5 5 DC H1' H 5.920 0.020 . 38 5 5 DC H2' H 1.580 0.020 . 39 5 5 DC H2'' H 2.090 0.020 . 40 5 5 DC H3' H 4.740 0.020 . 41 5 5 DC H4' H 4.090 0.038 . 42 5 5 DC H5 H 5.440 0.020 . 43 5 5 DC H6 H 7.120 0.020 . 44 5 5 DC H41 H 6.470 0.020 . 45 5 5 DC H42 H 8.130 0.022 . 46 6 6 DG H1 H 10.320 0.020 . 47 6 6 DG H2' H 2.480 0.020 . 48 6 6 DG H2'' H 2.480 0.020 . 49 7 7 DG H1 H 12.710 0.020 . 50 7 7 DG H1' H 6.000 0.020 . 51 7 7 DG H2' H 2.770 0.020 . 52 7 7 DG H2'' H 2.820 0.020 . 53 7 7 DG H4' H 4.400 0.020 . 54 7 7 DG H8 H 7.930 0.020 . 55 8 8 DT H1' H 6.060 0.020 . 56 8 8 DT H2' H 2.190 0.022 . 57 8 8 DT H2'' H 2.520 0.025 . 58 8 8 DT H3 H 13.690 0.020 . 59 8 8 DT H4' H 4.230 0.024 . 60 8 8 DT H5' H 4.150 0.012 . 61 8 8 DT H5'' H 4.150 0.012 . 62 8 8 DT H6 H 7.320 0.020 . 63 8 8 DT H71 H 1.340 0.021 . 64 8 8 DT H72 H 1.340 0.021 . 65 8 8 DT H73 H 1.340 0.021 . 66 9 9 DC H1' H 5.560 0.020 . 67 9 9 DC H2' H 2.184 0.019 . 68 9 9 DC H2'' H 2.470 0.020 . 69 9 9 DC H3' H 4.860 0.020 . 70 9 9 DC H4' H 4.170 0.020 . 71 9 9 DC H5 H 5.690 0.020 . 72 9 9 DC H5' H 4.080 0.020 . 73 9 9 DC H5'' H 4.080 0.020 . 74 9 9 DC H6 H 7.600 0.020 . 75 9 9 DC H41 H 6.920 0.020 . 76 9 9 DC H42 H 8.490 0.020 . 77 10 10 DA H1' H 6.280 0.021 . 78 10 10 DA H2 H 7.661 0.018 . 79 10 10 DA H2' H 2.710 0.020 . 80 10 10 DA H2'' H 2.950 0.017 . 81 10 10 DA H4' H 4.450 0.025 . 82 10 10 DA H5' H 4.150 0.012 . 83 10 10 DA H5'' H 4.150 0.012 . 84 10 10 DA H8 H 8.380 0.025 . 85 10 10 DA H61 H 6.440 0.021 . 86 10 10 DA H62 H 7.820 0.019 . 87 11 11 DT H1' H 5.990 0.020 . 88 11 11 DT H2' H 2.020 0.018 . 89 11 11 DT H2'' H 2.470 0.014 . 90 11 11 DT H3 H 13.810 0.020 . 91 11 11 DT H3' H 4.840 0.006 . 92 11 11 DT H4' H 4.161 0.025 . 93 11 11 DT H6 H 7.240 0.019 . 94 11 11 DT H71 H 1.460 0.020 . 95 11 11 DT H72 H 1.460 0.020 . 96 11 11 DT H73 H 1.460 0.020 . 97 12 12 DC H1' H 6.250 0.018 . 98 12 12 DC H2' H 2.248 0.016 . 99 12 12 DC H2'' H 2.248 0.016 . 100 12 12 DC H3' H 4.580 0.006 . 101 12 12 DC H4' H 4.000 0.020 . 102 12 12 DC H5 H 5.690 0.020 . 103 12 12 DC H5' H 4.200 0.020 . 104 12 12 DC H5'' H 4.200 0.020 . 105 12 12 DC H6 H 7.580 0.025 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' 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*AP*CP*(GL6)P*GP*CP*TP*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 5.700 0.017 . 2 13 1 DG H2' H 2.650 0.014 . 3 13 1 DG H2'' H 2.820 0.013 . 4 13 1 DG H3' H 4.876 0.020 . 5 13 1 DG H4' H 4.230 0.020 . 6 13 1 DG H5' H 3.710 0.020 . 7 13 1 DG H5'' H 3.710 0.020 . 8 13 1 DG H8 H 7.950 0.020 . 9 14 2 DA H1' H 6.310 0.020 . 10 14 2 DA H2 H 7.990 0.015 . 11 14 2 DA H2' H 2.750 0.016 . 12 14 2 DA H2'' H 2.980 0.016 . 13 14 2 DA H4' H 4.480 0.021 . 14 14 2 DA H5' H 4.230 0.020 . 15 14 2 DA H5'' H 4.153 0.010 . 16 14 2 DA H8 H 8.360 0.020 . 17 14 2 DA H61 H 6.270 0.029 . 18 14 2 DA H62 H 7.778 0.010 . 19 15 3 DT H1' H 5.710 0.018 . 20 15 3 DT H2' H 1.980 0.022 . 21 15 3 DT H2'' H 2.370 0.021 . 22 15 3 DT H3 H 13.510 0.015 . 23 15 3 DT H3' H 4.880 0.012 . 24 15 3 DT H4' H 4.173 0.020 . 25 15 3 DT H6 H 7.130 0.021 . 26 15 3 DT H71 H 1.370 0.016 . 27 15 3 DT H72 H 1.370 0.016 . 28 15 3 DT H73 H 1.370 0.016 . 29 16 4 DG H1 H 12.510 0.020 . 30 16 4 DG H1' H 5.570 0.020 . 31 16 4 DG H2' H 2.680 0.020 . 32 16 4 DG H2'' H 2.760 0.020 . 33 16 4 DG H8 H 7.870 0.020 . 34 17 5 DA H1' H 6.240 0.018 . 35 17 5 DA H2 H 7.960 0.020 . 36 17 5 DA H2' H 2.616 0.032 . 37 17 5 DA H2'' H 2.887 0.021 . 38 17 5 DA H8 H 8.170 0.020 . 39 18 6 DC H1' H 6.000 0.020 . 40 18 6 DC H2' H 2.140 0.020 . 41 18 6 DC H2'' H 2.140 0.020 . 42 18 6 DC H3' H 4.840 0.020 . 43 18 6 DC H4' H 4.187 0.048 . 44 18 6 DC H5 H 5.300 0.020 . 45 18 6 DC H6 H 7.350 0.020 . 46 18 6 DC H41 H 6.590 0.035 . 47 18 6 DC H42 H 8.040 0.020 . 48 19 7 4JA H1 H 3.890 0.020 . 49 19 7 4JA H2 H 2.920 0.020 . 50 19 7 4JA H2' H 3.270 0.020 . 51 19 7 4JA H2'' H 3.270 0.020 . 52 19 7 4JA H3 H 3.210 0.020 . 53 19 7 4JA H3' H 4.230 0.020 . 54 19 7 4JA H4 H 2.750 0.020 . 55 19 7 4JA H5 H 3.000 0.020 . 56 19 7 4JA H5' H 3.840 0.020 . 57 19 7 4JA H5'' H 3.840 0.020 . 58 19 7 4JA Q6 H 0.720 0.020 . 59 20 8 DG H1 H 13.020 0.020 . 60 20 8 DG H1' H 6.080 0.020 . 61 20 8 DG H2' H 2.840 0.020 . 62 20 8 DG H2'' H 2.920 0.020 . 63 20 8 DG H3' H 5.070 0.020 . 64 20 8 DG H4' H 4.220 0.020 . 65 20 8 DG H5' H 3.890 0.020 . 66 20 8 DG H5'' H 3.833 0.037 . 67 20 8 DG H8 H 8.030 0.020 . 68 21 9 DC H1' H 5.940 0.020 . 69 21 9 DC H2' H 2.070 0.020 . 70 21 9 DC H2'' H 2.430 0.025 . 71 21 9 DC H3' H 4.800 0.020 . 72 21 9 DC H4' H 4.184 0.024 . 73 21 9 DC H5 H 5.440 0.020 . 74 21 9 DC H6 H 7.486 0.020 . 75 21 9 DC H41 H 6.790 0.020 . 76 21 9 DC H42 H 8.380 0.020 . 77 22 10 DT H1' H 5.420 0.020 . 78 22 10 DT H2' H 2.120 0.028 . 79 22 10 DT H2'' H 2.330 0.018 . 80 22 10 DT H3 H 14.090 0.020 . 81 22 10 DT H3' H 4.836 0.023 . 82 22 10 DT H4' H 4.110 0.020 . 83 22 10 DT H5' H 4.020 0.020 . 84 22 10 DT H5'' H 4.020 0.020 . 85 22 10 DT H6 H 7.440 0.020 . 86 22 10 DT H71 H 1.710 0.021 . 87 22 10 DT H72 H 1.710 0.021 . 88 22 10 DT H73 H 1.710 0.021 . 89 23 11 DA H1' H 6.100 0.019 . 90 23 11 DA H2 H 7.620 0.020 . 91 23 11 DA H2' H 2.910 0.020 . 92 23 11 DA H2'' H 2.782 0.027 . 93 23 11 DA H3' H 5.130 0.020 . 94 23 11 DA H4' H 4.430 0.020 . 95 23 11 DA H5' H 4.140 0.020 . 96 23 11 DA H5'' H 4.020 0.020 . 97 23 11 DA H8 H 8.260 0.025 . 98 23 11 DA H61 H 6.760 0.020 . 99 23 11 DA H62 H 8.030 0.020 . 100 24 12 DG H1' H 6.020 0.017 . 101 24 12 DG H2' H 2.480 0.023 . 102 24 12 DG H2'' H 2.260 0.020 . 103 24 12 DG H3' H 4.650 0.009 . 104 24 12 DG H4' H 4.190 0.007 . 105 24 12 DG H5' H 4.110 0.020 . 106 24 12 DG H5'' H 4.110 0.020 . 107 24 12 DG H8 H 7.770 0.025 . stop_ save_