data_34378 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of kiteplatinated dsDNA ; _BMRB_accession_number 34378 _BMRB_flat_file_name bmr34378.str _Entry_type original _Submission_date 2019-03-13 _Accession_date 2019-03-13 _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 Margiotta N. . . 2 Papadia P. . . 3 Kubicek K. . . 4 Krejcikova M. . . 5 Gkionis K. . . 6 Sponer J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-27 original BMRB . stop_ _Original_release_date 2019-10-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of kiteplatinated DNA ; _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 Krejcikova M. . . 2 Papadia P. . . 3 Gkionis K. . . 4 Plats J. . . 5 Petruzzella E. . . 6 Savino S. . . 7 Hoeschelle J. D. . 8 Natile G. . . 9 Sponer J. . . 10 Kubicek K. . . 11 Margiotta N. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Kiteplatinated DNA oligomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 entity_3 $entity_LN8 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_1 _Molecular_mass 3559.319 _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_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_2 _Molecular_mass 3768.453 _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_ ############# # Ligands # ############# save_LN8 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_LN8 (Kiteplatin)" _BMRB_code LN8 _PDB_code LN8 _Molecular_mass 380.173 _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 C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C15 C15 C . 0 . ? N1 N1 N . 1 . ? C14 C14 C . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H13 H13 H . 0 . ? H12 H12 H . 0 . ? N2 N2 N . 1 . ? H16 H16 H . 0 . ? H15 H15 H . 0 . ? H14 H14 H . 0 . ? CL2 CL2 CL . 0 . ? CL1 CL1 CL . 0 . ? PT1 PT1 PT . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H2 H2 H . 0 . ? H1 H1 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 C11 C10 ? ? SING C11 C12 ? ? SING C10 C15 ? ? SING C12 N1 ? ? SING C12 C13 ? ? SING C13 C14 ? ? SING C15 C14 ? ? SING C10 H7 ? ? SING C10 H8 ? ? SING C11 H9 ? ? SING C11 H10 ? ? SING C12 H11 ? ? SING C13 H13 ? ? SING C13 H12 ? ? SING C15 N2 ? ? SING C15 H16 ? ? SING C14 H15 ? ? SING C14 H14 ? ? SING N2 PT1 ? ? SING N1 PT1 ? ? SING CL2 PT1 ? ? SING CL1 PT1 ? ? SING N2 H3 ? ? SING N2 H4 ? ? SING N1 H2 ? ? SING N1 H1 ? ? 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'chemical synthesis' . . . . . $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM NA- kiteplatin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' $entity_2 1 mM 'natural abundance' $entity_LN8 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Amber _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details 'QCI cryoprobe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 950 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 100 . mM pH 7.0 0.1 pH pressure 1 . atm temperature 273 0.1 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TMS 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC aliphatic' '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-15N HSQC' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 6.021 0.05 1 2 1 1 DC H2' H 2.263 0.05 1 3 1 1 DC H2'' H 2.585 0.05 1 4 1 1 DC H3' H 4.705 0.05 1 5 1 1 DC H4' H 4.152 0.05 1 6 1 1 DC H5 H 5.997 0.05 1 7 1 1 DC H5' H 3.826 0.05 1 8 1 1 DC H5'' H 3.794 0.05 1 9 1 1 DC H6 H 7.831 0.05 1 10 2 2 DC H1' H 6.051 0.05 1 11 2 2 DC H2' H 2.209 0.05 1 12 2 2 DC H2'' H 2.532 0.05 1 13 2 2 DC H3' H 4.840 0.05 1 14 2 2 DC H4' H 4.222 0.05 1 15 2 2 DC H5 H 5.707 0.05 1 16 2 2 DC H6 H 7.693 0.05 1 17 3 3 DT H1' H 6.058 0.05 1 18 3 3 DT H2' H 2.178 0.05 1 19 3 3 DT H2'' H 2.473 0.05 1 20 3 3 DT H3 H 13.840 0.05 1 21 3 3 DT H3' H 4.889 0.05 1 22 3 3 DT H4' H 4.113 0.05 1 23 3 3 DT H6 H 7.453 0.05 1 24 3 3 DT H71 H 1.674 0.05 1 25 3 3 DT H72 H 1.674 0.05 1 26 3 3 DT H73 H 1.674 0.05 1 27 4 4 DC H1' H 5.270 0.05 1 28 4 4 DC H2' H 2.066 0.05 1 29 4 4 DC H2'' H 2.208 0.05 1 30 4 4 DC H3' H 4.781 0.05 1 31 4 4 DC H4' H 4.103 0.05 1 32 4 4 DC H5 H 5.729 0.05 1 33 4 4 DC H6 H 7.538 0.05 1 34 5 5 DA H1' H 6.198 0.05 1 35 5 5 DA H2 H 7.801 0.05 1 36 5 5 DA H2' H 2.671 0.05 1 37 5 5 DA H2'' H 2.824 0.05 1 38 5 5 DA H3' H 5.008 0.05 1 39 5 5 DA H4' H 4.346 0.05 1 40 5 5 DA H5' H 4.293 0.05 1 41 5 5 DA H5'' H 4.096 0.05 1 42 5 5 DA H8 H 8.151 0.05 1 43 6 6 DG H1' H 5.719 0.05 1 44 6 6 DG H2' H 2.208 0.05 1 45 6 6 DG H2'' H 2.680 0.05 1 46 6 6 DG H3' H 4.826 0.05 1 47 6 6 DG H4' H 4.273 0.05 1 48 6 6 DG H5' H 4.228 0.05 1 49 6 6 DG H5'' H 4.135 0.05 1 50 6 6 DG H8 H 8.320 0.05 1 51 7 7 DG H1' H 5.469 0.05 1 52 7 7 DG H2' H 2.210 0.05 1 53 7 7 DG H2'' H 2.362 0.05 1 54 7 7 DG H3' H 4.773 0.05 1 55 7 7 DG H4' H 4.134 0.05 1 56 7 7 DG H5' H 4.070 0.05 1 57 7 7 DG H5'' H 3.935 0.05 1 58 7 7 DG H8 H 7.993 0.05 1 59 8 8 DC H1' H 6.133 0.05 1 60 8 8 DC H2' H 2.257 0.05 1 61 8 8 DC H2'' H 2.562 0.05 1 62 8 8 DC H3' H 4.840 0.05 1 63 8 8 DC H4' H 4.250 0.05 1 64 8 8 DC H5 H 5.316 0.05 1 65 8 8 DC H6 H 7.535 0.05 1 66 9 9 DC H1' H 5.951 0.05 1 67 9 9 DC H2' H 2.162 0.05 1 68 9 9 DC H2'' H 2.546 0.05 1 69 9 9 DC H3' H 4.796 0.05 1 70 9 9 DC H4' H 4.170 0.05 1 71 9 9 DC H5 H 5.564 0.05 1 72 9 9 DC H6 H 7.568 0.05 1 73 10 10 DT H1' H 6.089 0.05 1 74 10 10 DT H2' H 2.214 0.05 1 75 10 10 DT H2'' H 2.555 0.05 1 76 10 10 DT H3 H 13.870 0.05 1 77 10 10 DT H3' H 4.903 0.05 1 78 10 10 DT H4' H 4.219 0.05 1 79 10 10 DT H5'' H 4.122 0.05 1 80 10 10 DT H6 H 7.480 0.05 1 81 10 10 DT H71 H 1.669 0.05 1 82 10 10 DT H72 H 1.669 0.05 1 83 10 10 DT H73 H 1.669 0.05 1 84 11 11 DC H1' H 6.117 0.05 1 85 11 11 DC H2' H 2.264 0.05 1 86 11 11 DC H2'' H 2.502 0.05 1 87 11 11 DC H3' H 4.864 0.05 1 88 11 11 DC H4' H 4.197 0.05 1 89 11 11 DC H5 H 5.812 0.05 1 90 11 11 DC H5'' H 4.128 0.05 1 91 11 11 DC H6 H 7.632 0.05 1 92 12 12 DC H1' H 6.268 0.05 1 93 12 12 DC H2' H 2.285 0.05 1 94 12 12 DC H2'' H 2.310 0.05 1 95 12 12 DC H3' H 4.584 0.05 1 96 12 12 DC H4' H 4.071 0.05 1 97 12 12 DC H5 H 5.886 0.05 1 98 12 12 DC H5'' H 4.179 0.05 1 99 12 12 DC H6 H 7.717 0.05 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC aliphatic' '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-15N HSQC' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 5.610 0.05 1 2 13 1 DG H2' H 2.462 0.05 1 3 13 1 DG H2'' H 2.625 0.05 1 4 13 1 DG H3' H 5.012 0.05 1 5 13 1 DG H4' H 4.159 0.05 1 6 13 1 DG H5'' H 3.660 0.05 1 7 13 1 DG H8 H 7.841 0.05 1 8 14 2 DG H1 H 12.890 0.05 1 9 14 2 DG H1' H 5.516 0.05 1 10 14 2 DG H2' H 2.692 0.05 1 11 14 2 DG H2'' H 2.783 0.05 1 12 14 2 DG H3' H 5.012 0.05 1 13 14 2 DG H4' H 4.357 0.05 1 14 14 2 DG H5' H 4.133 0.05 1 15 14 2 DG H5'' H 4.046 0.05 1 16 14 2 DG H8 H 7.857 0.05 1 17 15 3 DA H1' H 6.081 0.05 1 18 15 3 DA H2 H 7.789 0.05 1 19 15 3 DA H2' H 2.707 0.05 1 20 15 3 DA H2'' H 2.916 0.05 1 21 15 3 DA H3' H 5.096 0.05 1 22 15 3 DA H4' H 4.458 0.05 1 23 15 3 DA H5' H 4.232 0.05 1 24 15 3 DA H5'' H 4.155 0.05 1 25 15 3 DA H8 H 8.125 0.05 1 26 16 4 DG H1 H 12.960 0.05 1 27 16 4 DG H1' H 5.655 0.05 1 28 16 4 DG H2' H 2.620 0.05 1 29 16 4 DG H2'' H 2.662 0.05 1 30 16 4 DG H3' H 5.014 0.05 1 31 16 4 DG H4' H 4.421 0.05 1 32 16 4 DG H8 H 7.643 0.05 1 33 17 5 DG H1' H 6.021 0.05 1 34 17 5 DG H2' H 2.595 0.05 1 35 17 5 DG H2'' H 2.759 0.05 1 36 17 5 DG H3' H 4.879 0.05 1 37 17 5 DG H4' H 4.402 0.05 1 38 17 5 DG H5'' H 4.262 0.05 1 39 17 5 DG H8 H 7.624 0.05 1 40 18 6 DC H1' H 5.948 0.05 1 41 18 6 DC H2' H 2.123 0.05 1 42 18 6 DC H2'' H 2.503 0.05 1 43 18 6 DC H3' H 4.774 0.05 1 44 18 6 DC H4' H 4.172 0.05 1 45 18 6 DC H5 H 5.526 0.05 1 46 18 6 DC H5'' H 4.274 0.05 1 47 18 6 DC H6 H 7.472 0.05 1 48 19 7 DC H1' H 5.882 0.05 1 49 19 7 DC H2' H 1.975 0.05 1 50 19 7 DC H2'' H 2.423 0.05 1 51 19 7 DC H3' H 4.778 0.05 1 52 19 7 DC H4' H 4.140 0.05 1 53 19 7 DC H5 H 5.439 0.05 1 54 19 7 DC H5'' H 3.966 0.05 1 55 19 7 DC H6 H 7.476 0.05 1 56 20 8 DT H1' H 5.578 0.05 1 57 20 8 DT H2' H 2.138 0.05 1 58 20 8 DT H2'' H 2.350 0.05 1 59 20 8 DT H3 H 13.890 0.05 1 60 20 8 DT H3' H 4.851 0.05 1 61 20 8 DT H4' H 4.106 0.05 1 62 20 8 DT H5' H 3.966 0.05 1 63 20 8 DT H5'' H 4.039 0.05 1 64 20 8 DT H6 H 7.379 0.05 1 65 20 8 DT H71 H 1.587 0.05 1 66 20 8 DT H72 H 1.587 0.05 1 67 20 8 DT H73 H 1.587 0.05 1 68 21 9 DG H1 H 12.740 0.05 1 69 21 9 DG H1' H 5.405 0.05 1 70 21 9 DG H2' H 2.697 0.05 1 71 21 9 DG H2'' H 2.743 0.05 1 72 21 9 DG H3' H 4.997 0.05 1 73 21 9 DG H4' H 4.305 0.05 1 74 21 9 DG H5' H 4.092 0.05 1 75 21 9 DG H5'' H 3.973 0.05 1 76 21 9 DG H8 H 7.906 0.05 1 77 22 10 DA H1' H 5.962 0.05 1 78 22 10 DA H2 H 7.767 0.05 1 79 22 10 DA H2' H 2.658 0.05 1 80 22 10 DA H2'' H 2.830 0.05 1 81 22 10 DA H3' H 5.052 0.05 1 82 22 10 DA H4' H 4.425 0.05 1 83 22 10 DA H5' H 4.193 0.05 1 84 22 10 DA H5'' H 4.130 0.05 1 85 22 10 DA H8 H 8.128 0.05 1 86 23 11 DG H1 H 12.960 0.05 1 87 23 11 DG H1' H 5.623 0.05 1 88 23 11 DG H2' H 2.505 0.05 1 89 23 11 DG H2'' H 2.649 0.05 1 90 23 11 DG H3' H 4.960 0.05 1 91 23 11 DG H4' H 4.354 0.05 1 92 23 11 DG H5' H 4.173 0.05 1 93 23 11 DG H5'' H 4.352 0.05 1 94 23 11 DG H8 H 7.647 0.05 1 95 24 12 DG H1' H 6.128 0.05 1 96 24 12 DG H2' H 2.346 0.05 1 97 24 12 DG H2'' H 2.433 0.05 1 98 24 12 DG H3' H 4.612 0.05 1 99 24 12 DG H4' H 4.109 0.05 1 100 24 12 DG H5'' H 4.209 0.05 1 101 24 12 DG H8 H 7.696 0.05 1 stop_ save_