data_11528 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURE OF METALLO-DNA IN SOLUTION ; _BMRB_accession_number 11528 _BMRB_flat_file_name bmr11528.str _Entry_type original _Submission_date 2013-06-17 _Accession_date 2013-07-15 _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 Yamaguchi H. . . 2 Sebera J. . . 3 Kondo J. . . 4 Oda S. . . 5 Komuro T. . . 6 Kawamura T. . . 7 Dairaku T. . . 8 Kondo Y. . . 9 Okamoto I. . . 10 Ono A. . . 11 Burda J. V. . 12 Kojima C. . . 13 Sychrovsky V. . . 14 Tanaka Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 220 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-03 original author . stop_ _Original_release_date 2014-03-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of metallo-DNA with consecutive T-Hg(II)-T base-pairs explains positive entropy for the metallo-base-pair formation' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yamaguchi H. . . 2 Sebera J. . . 3 Kondo J. . . 4 Oda S. . . 5 Komuro T. . . 6 Kawamura T. . . 7 Dairaku T. . . 8 Kondo Y. . . 9 Okamoto I. . . 10 Ono A. . . 11 Burda J. V. . 12 Kojima C. . . 13 Sychrovsky V. . . 14 Tanaka Y. . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'METALLO-BASE-PAIRED DNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' $5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' 5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' $5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' 'MERCURY (II) ION_1' $entity_HG 'MERCURY (II) ION_2' $entity_HG 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_5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' _Molecular_mass 3011.991 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 10 _Mol_residue_sequence CGCGTTGTCC loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DC 4 DG 5 DT 6 DT 7 DG 8 DT 9 DC 10 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' _Molecular_mass 3061.029 _Mol_thiol_state 'not present' _Details . _Residue_count 10 _Mol_residue_sequence GGACTTCGCG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 DG 2 12 DG 3 13 DA 4 14 DC 5 15 DT 6 16 DT 7 17 DC 8 18 DG 9 19 DC 10 20 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_HG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MERCURY (II) ION' _BMRB_code HG _PDB_code HG _Molecular_mass 200.590 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons HG HG HG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' . . . . Synthetic Synthetic 'Artificially designed DNA sequence' $5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' . . . . Synthetic Synthetic 'Artificially designed DNA sequence' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' 'chemical synthesis' . not applicable . 'not applicable' 'not applicable' 'artificially designed sequence' $5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' 'chemical synthesis' . artificial sequence . 'not applicable' 'not applicable' 'artificially designed sequence' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2.0 MM DNA DUPLEX (10BP), 100 MM SODIUM PERCHLORATE, 4.0 MM MERCURY(II) PERCHLORATE-2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' 2.0 mM 'natural abundance' $5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' 2.0 mM 'natural abundance' 'Mercury(II) perchlorate' 4.0 mM 'natural abundance' 'Sodium perchlorate' 100 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '2.0 MM DNA DUPLEX (10BP), 100 MM SODIUM PERCHLORATE, 4.0 MM MERCURY(II) PERCHLORATE-2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3' 2.0 mM 'natural abundance' $5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3' 2.0 mM 'natural abundance' 'Mercury(II) perchlorate' 4.0 mM 'natural abundance' 'Sodium perchlorate' 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Vendor _Address _Electronic_address 'A. T. BRUNGER' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ save_MARDIGRAS _Saveframe_category software _Name MARDIGRAS _Version . loop_ _Vendor _Address _Electronic_address 'Thomas L. James' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX800 _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_2 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-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' 0.10 . M pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.10 . M pH 6.0 . 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 DSS H 1 'methyl protons' ppm 0 external indirect . . . 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' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*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 5.74 0.01 1 2 1 1 DC H2' H 1.94 0.01 1 3 1 1 DC H2'' H 2.38 0.01 1 4 1 1 DC H3' H 4.69 0.01 1 5 1 1 DC H4' H 4.05 0.01 1 6 1 1 DC H5 H 5.89 0.01 1 7 1 1 DC H5' H 3.70 0.01 1 8 1 1 DC H5'' H 3.70 0.01 1 9 1 1 DC H6 H 7.61 0.01 1 10 1 1 DC H41 H 7.72 0.01 1 11 1 1 DC H42 H 6.56 0.01 1 12 2 2 DG H1 H 13.11 0.01 1 13 2 2 DG H1' H 5.86 0.01 1 14 2 2 DG H2' H 2.66 0.01 1 15 2 2 DG H2'' H 2.69 0.01 1 16 2 2 DG H3' H 4.96 0.01 1 17 2 2 DG H4' H 4.33 0.01 1 18 2 2 DG H5' H 3.96 0.01 2 19 2 2 DG H5'' H 4.07 0.01 2 20 2 2 DG H8 H 7.96 0.01 1 21 2 2 DG H21 H 8.47 0.01 1 22 2 2 DG H22 H 6.99 0.01 1 23 3 3 DC H1' H 5.72 0.01 1 24 3 3 DC H2' H 2.01 0.01 1 25 3 3 DC H2'' H 2.43 0.01 1 26 3 3 DC H3' H 4.85 0.01 1 27 3 3 DC H4' H 4.18 0.01 1 28 3 3 DC H5 H 5.44 0.01 1 29 3 3 DC H5' H 4.13 0.01 2 30 3 3 DC H5'' H 4.18 0.01 2 31 3 3 DC H6 H 7.34 0.01 1 32 3 3 DC H41 H 8.36 0.01 1 33 3 3 DC H42 H 6.56 0.01 1 34 4 4 DG H1 H 13.61 0.01 1 35 4 4 DG H1' H 6.03 0.01 1 36 4 4 DG H2' H 2.58 0.01 1 37 4 4 DG H2'' H 2.82 0.01 1 38 4 4 DG H3' H 4.95 0.01 1 39 4 4 DG H4' H 4.39 0.01 1 40 4 4 DG H5' H 4.09 0.01 2 41 4 4 DG H5'' H 4.12 0.01 2 42 4 4 DG H8 H 7.98 0.01 1 43 4 4 DG H21 H 8.33 0.01 1 44 4 4 DG H22 H 7.22 0.01 1 45 5 5 DT H1' H 5.82 0.01 1 46 5 5 DT H2' H 1.89 0.01 1 47 5 5 DT H2'' H 2.51 0.01 1 48 5 5 DT H3' H 4.75 0.01 1 49 5 5 DT H4' H 4.12 0.01 1 50 5 5 DT H5' H 4.09 0.01 2 51 5 5 DT H5'' H 4.27 0.01 2 52 5 5 DT H6 H 7.06 0.01 1 53 5 5 DT H71 H 1.56 0.01 1 54 5 5 DT H72 H 1.56 0.01 1 55 5 5 DT H73 H 1.56 0.01 1 56 6 6 DT H1' H 5.76 0.01 1 57 6 6 DT H2' H 2.22 0.01 1 58 6 6 DT H2'' H 2.27 0.01 1 59 6 6 DT H3' H 4.82 0.01 1 60 6 6 DT H4' H 3.99 0.01 1 61 6 6 DT H5' H 4.08 0.01 2 62 6 6 DT H5'' H 4.10 0.01 2 63 6 6 DT H6 H 7.38 0.01 1 64 6 6 DT H71 H 1.80 0.01 1 65 6 6 DT H72 H 1.80 0.01 1 66 6 6 DT H73 H 1.80 0.01 1 67 7 7 DG H1 H 12.64 0.01 1 68 7 7 DG H1' H 6.02 0.01 1 69 7 7 DG H2' H 2.64 0.01 1 70 7 7 DG H2'' H 2.81 0.01 1 71 7 7 DG H3' H 4.92 0.01 1 72 7 7 DG H4' H 4.35 0.01 1 73 7 7 DG H5' H 3.97 0.01 2 74 7 7 DG H5'' H 4.08 0.01 2 75 7 7 DG H8 H 7.87 0.01 1 76 7 7 DG H22 H 6.80 0.01 2 77 8 8 DT H1' H 6.14 0.01 1 78 8 8 DT H2' H 2.20 0.01 1 79 8 8 DT H2'' H 2.54 0.01 1 80 8 8 DT H3 H 13.63 0.01 1 81 8 8 DT H3' H 4.90 0.01 1 82 8 8 DT H4' H 4.23 0.01 1 83 8 8 DT H5' H 4.15 0.01 2 84 8 8 DT H5'' H 4.17 0.01 2 85 8 8 DT H6 H 7.28 0.01 1 86 8 8 DT H71 H 1.26 0.01 1 87 8 8 DT H72 H 1.26 0.01 1 88 8 8 DT H73 H 1.26 0.01 1 89 9 9 DC H1' H 6.09 0.01 1 90 9 9 DC H2' H 2.21 0.01 1 91 9 9 DC H2'' H 2.48 0.01 1 92 9 9 DC H3' H 4.82 0.01 1 93 9 9 DC H4' H 4.16 0.01 1 94 9 9 DC H5 H 5.71 0.01 1 95 9 9 DC H5' H 4.05 0.01 2 96 9 9 DC H5'' H 4.11 0.01 2 97 9 9 DC H6 H 7.58 0.01 1 98 9 9 DC H41 H 8.49 0.01 1 99 9 9 DC H42 H 7.00 0.01 1 100 10 10 DC H1' H 6.24 0.01 1 101 10 10 DC H2' H 2.27 0.01 1 102 10 10 DC H2'' H 2.27 0.01 1 103 10 10 DC H3' H 4.56 0.01 1 104 10 10 DC H4' H 4.04 0.01 1 105 10 10 DC H5 H 5.80 0.01 1 106 10 10 DC H5' H 3.93 0.01 2 107 10 10 DC H5'' H 4.15 0.01 2 108 10 10 DC H6 H 7.67 0.01 1 109 10 10 DC H41 H 8.31 0.01 1 110 10 10 DC H42 H 7.19 0.01 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' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*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 11 1 DG H1 H 12.89 0.01 1 2 11 1 DG H1' H 5.62 0.01 1 3 11 1 DG H2' H 2.45 0.01 1 4 11 1 DG H2'' H 2.62 0.01 1 5 11 1 DG H3' H 4.79 0.01 1 6 11 1 DG H4' H 4.13 0.01 1 7 11 1 DG H5' H 3.62 0.01 1 8 11 1 DG H5'' H 3.62 0.01 1 9 11 1 DG H8 H 7.81 0.01 1 10 11 1 DG H21 H 8.38 0.01 1 11 11 1 DG H22 H 6.51 0.01 1 12 12 2 DG H1 H 12.93 0.01 1 13 12 2 DG H1' H 5.52 0.01 1 14 12 2 DG H2' H 2.67 0.01 1 15 12 2 DG H2'' H 2.73 0.01 1 16 12 2 DG H3' H 4.99 0.01 1 17 12 2 DG H4' H 4.34 0.01 1 18 12 2 DG H5' H 4.02 0.01 2 19 12 2 DG H5'' H 4.10 0.01 2 20 12 2 DG H8 H 7.82 0.01 1 21 12 2 DG H21 H 8.07 0.01 1 22 12 2 DG H22 H 6.84 0.01 1 23 13 3 DA H1' H 6.20 0.01 1 24 13 3 DA H2 H 8.01 0.01 1 25 13 3 DA H2' H 2.66 0.01 1 26 13 3 DA H2'' H 2.84 0.01 1 27 13 3 DA H3' H 5.03 0.01 1 28 13 3 DA H4' H 4.46 0.01 1 29 13 3 DA H5' H 4.16 0.01 2 30 13 3 DA H5'' H 4.21 0.01 2 31 13 3 DA H8 H 8.17 0.01 1 32 13 3 DA H61 H 8.21 0.01 1 33 13 3 DA H62 H 6.59 0.01 1 34 14 4 DC H1' H 5.86 0.01 1 35 14 4 DC H2' H 2.29 0.01 1 36 14 4 DC H2'' H 2.50 0.01 1 37 14 4 DC H3' H 4.67 0.01 1 38 14 4 DC H4' H 4.28 0.01 1 39 14 4 DC H5 H 5.24 0.01 1 40 14 4 DC H5' H 4.07 0.01 2 41 14 4 DC H5'' H 4.23 0.01 2 42 14 4 DC H6 H 7.38 0.01 1 43 14 4 DC H41 H 8.32 0.01 1 44 14 4 DC H42 H 6.86 0.01 1 45 15 5 DT H1' H 5.78 0.01 1 46 15 5 DT H2' H 1.72 0.01 2 47 15 5 DT H2'' H 2.27 0.01 2 48 15 5 DT H3' H 4.62 0.01 1 49 15 5 DT H4' H 3.92 0.01 1 50 15 5 DT H5' H 4.04 0.01 2 51 15 5 DT H5'' H 4.23 0.01 2 52 15 5 DT H6 H 7.20 0.01 1 53 15 5 DT H71 H 1.72 0.01 1 54 15 5 DT H72 H 1.72 0.01 1 55 15 5 DT H73 H 1.72 0.01 1 56 16 6 DT H1' H 6.03 0.01 1 57 16 6 DT H2' H 2.25 0.01 1 58 16 6 DT H2'' H 2.50 0.01 1 59 16 6 DT H3' H 4.84 0.01 1 60 16 6 DT H4' H 4.16 0.01 1 61 16 6 DT H5' H 3.91 0.01 2 62 16 6 DT H5'' H 3.98 0.01 2 63 16 6 DT H6 H 7.56 0.01 1 64 16 6 DT H71 H 1.64 0.01 1 65 16 6 DT H72 H 1.64 0.01 1 66 16 6 DT H73 H 1.64 0.01 1 67 17 7 DC H1' H 5.70 0.01 1 68 17 7 DC H2' H 2.11 0.01 1 69 17 7 DC H2'' H 2.38 0.01 1 70 17 7 DC H3' H 4.82 0.01 1 71 17 7 DC H4' H 4.08 0.01 1 72 17 7 DC H5 H 5.66 0.01 1 73 17 7 DC H5' H 4.10 0.01 2 74 17 7 DC H5'' H 4.21 0.01 2 75 17 7 DC H6 H 7.50 0.01 1 76 17 7 DC H41 H 7.75 0.01 1 77 17 7 DC H42 H 7.06 0.01 1 78 18 8 DG H1 H 12.87 0.01 1 79 18 8 DG H1' H 5.90 0.01 1 80 18 8 DG H2' H 2.61 0.01 1 81 18 8 DG H2'' H 2.71 0.01 1 82 18 8 DG H3' H 4.97 0.01 1 83 18 8 DG H4' H 4.34 0.01 1 84 18 8 DG H5' H 4.00 0.01 2 85 18 8 DG H5'' H 4.10 0.01 2 86 18 8 DG H8 H 7.90 0.01 1 87 18 8 DG H21 H 8.34 0.01 1 88 18 8 DG H22 H 6.91 0.01 1 89 19 9 DC H1' H 5.76 0.01 1 90 19 9 DC H2' H 1.90 0.01 1 91 19 9 DC H2'' H 2.32 0.01 1 92 19 9 DC H3' H 4.81 0.01 1 93 19 9 DC H4' H 4.15 0.01 1 94 19 9 DC H5 H 5.42 0.01 1 95 19 9 DC H5' H 4.07 0.01 2 96 19 9 DC H5'' H 4.09 0.01 2 97 19 9 DC H6 H 7.32 0.01 1 98 19 9 DC H41 H 8.51 0.01 1 99 19 9 DC H42 H 6.66 0.01 1 100 20 10 DG H1 H 12.87 0.01 1 101 20 10 DG H1' H 6.15 0.01 1 102 20 10 DG H2' H 2.36 0.01 1 103 20 10 DG H2'' H 2.61 0.01 1 104 20 10 DG H3' H 4.67 0.01 1 105 20 10 DG H4' H 4.17 0.01 1 106 20 10 DG H5' H 4.05 0.01 2 107 20 10 DG H5'' H 4.04 0.01 2 108 20 10 DG H8 H 7.94 0.01 1 109 20 10 DG H21 H 7.25 0.01 1 110 20 10 DG H22 H 6.95 0.01 1 stop_ save_