data_30016 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA duplex containing a ribonolactone lesion ; _BMRB_accession_number 30016 _BMRB_flat_file_name bmr30016.str _Entry_type original _Submission_date 2016-01-22 _Accession_date 2016-01-22 _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 Zalesak J. . . 2 Constant J. F. . 3 Jourdan M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-21 update BMRB 'update entry citation' 2016-09-09 original author 'original release' stop_ _Original_release_date 2016-09-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Solution Structure of DNA Featuring Clustered 2'-Deoxyribonolactone and 8-Oxoguanine Lesions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27322640 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zalesak J. . . 2 Constant J. F. . 3 Jourdan M. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 55 _Journal_issue 28 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3899 _Page_last 3906 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "DNA (5'-D(*CP*GP*CP*TP*CP*(RIB)P*CP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*(8OG)P*TP*GP*GP*GP*AP*GP*CP*G)-3')" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 3160.024 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence ; CGCTCXCACGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DC 2 2 DG 3 3 DC 4 4 DT 5 5 DC 6 6 63T 7 7 DC 8 8 DA 9 9 DC 10 10 DG 11 11 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 3471.246 _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence ; GCXTGGGAGCG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 DG 2 13 DC 3 14 8OG 4 15 DT 5 16 DG 6 17 DG 7 18 DG 8 19 DA 9 20 DG 10 21 DC 11 22 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_63T _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common '[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)' _BMRB_code 63T _PDB_code 63T _Standard_residue_derivative . _Molecular_mass 212.095 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? C1' C1' C . 0 . ? O1' O1' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O1 O1 O . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? H1 H1 H . 0 . ? H2'2 H2'2 H . 0 . ? H2'1 H2'1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 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 DOUB O1' C1' ? ? SING C2' C1' ? ? SING C2' C3' ? ? SING C1' O4' ? ? SING O3' C3' ? ? SING C3' C4' ? ? SING O4' C4' ? ? SING C4' C5' ? ? SING O5' C5' ? ? SING O5' P ? ? DOUB O1P P ? ? SING P O2P ? ? SING P O1 ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' H4' ? ? SING C3' H3' ? ? SING O3' H1 ? ? SING C2' H2'2 ? ? SING C2' H2'1 ? ? SING O2P H2 ? ? SING O1 H3 ? ? stop_ save_ save_chem_comp_8OG _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE _BMRB_code 8OG _PDB_code 8OG _Standard_residue_derivative . _Molecular_mass 363.221 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OP3 OP3 O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O8 O8 O . 0 . ? HOP3 HOP3 H . 0 . ? HOP2 HOP2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H1' H1' H . 0 . ? H7 H7 H . 0 . ? H1 H1 H . 0 . ? H21 H21 H . 0 . ? H22 H22 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 OP3 P ? ? SING OP3 HOP3 ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? SING C8 N7 ? ? DOUB C8 O8 ? ? SING N7 C5 ? ? SING N7 H7 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 H1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 H21 ? ? SING N2 H22 ? ? SING N3 C4 ? ? stop_ 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 . 32630 . . . . $entity_2 . 32630 . . . . 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 '0.85 mM oligonucleotide, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.85 mM none $entity_2 0.85 mM none NaCl 100 mM 'natural abundance' 'sodium phosphate buffer' 20 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 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _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_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 6 . pH pressure 1 . bar temperature 283 . 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 TSP H 2 'methyl protons' ppm 0.000 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_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _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 5.79 . 1 2 1 1 DC H2' H 2.03 . 1 3 1 1 DC H2'' H 2.48 . 1 4 1 1 DC H3' H 4.75 . 1 5 1 1 DC H4' H 4.11 . 1 6 1 1 DC H5'' H 3.74 . 1 7 1 1 DC H5 H 5.93 . 1 8 1 1 DC H6 H 7.68 . 1 9 1 1 DC H41 H 7.16 . 1 10 1 1 DC H42 H 8.21 . 1 11 2 2 DG H1' H 5.98 . 1 12 2 2 DG H2' H 2.76 . 1 13 2 2 DG H2'' H 2.78 . 1 14 2 2 DG H3' H 5.03 . 1 15 2 2 DG H4' H 4.42 . 1 16 2 2 DG H8 H 8.03 . 1 17 2 2 DG H1 H 13.13 . 1 18 3 3 DC H1' H 6.06 . 1 19 3 3 DC H2' H 2.17 . 1 20 3 3 DC H2'' H 2.56 . 1 21 3 3 DC H3' H 4.79 . 1 22 3 3 DC H4' H 4.30 . 1 23 3 3 DC H5 H 5.41 . 1 24 3 3 DC H6 H 7.50 . 1 25 3 3 DC H41 H 6.73 . 1 26 3 3 DC H42 H 8.26 . 1 27 4 4 DT H1' H 6.11 . 1 28 4 4 DT H2' H 2.17 . 1 29 4 4 DT H2'' H 2.56 . 1 30 4 4 DT H3' H 4.90 . 1 31 4 4 DT H4' H 4.21 . 1 32 4 4 DT H5'' H 4.09 . 1 33 4 4 DT H6 H 7.48 . 1 34 4 4 DT H71 H 1.63 . 1 35 4 4 DT H72 H 1.63 . 1 36 4 4 DT H73 H 1.63 . 1 37 4 4 DT H3 H 14.09 . 1 38 5 5 DC H1' H 6.18 . 1 39 5 5 DC H2' H 2.33 . 1 40 5 5 DC H2'' H 2.34 . 1 41 5 5 DC H3' H 4.90 . 1 42 5 5 DC H4' H 4.28 . 1 43 5 5 DC H5 H 5.76 . 1 44 5 5 DC H6 H 7.67 . 1 45 5 5 DC H41 H 6.95 . 1 46 5 5 DC H42 H 8.33 . 1 47 6 6 63T H2' H 2.82 . 1 48 6 6 63T H2'' H 2.61 . 1 49 6 6 63T H3' H 4.81 . 1 50 6 6 63T H4' H 3.88 . 1 51 7 7 DC H1' H 5.46 . 1 52 7 7 DC H2' H 2.25 . 1 53 7 7 DC H2'' H 2.47 . 1 54 7 7 DC H3' H 4.91 . 1 55 7 7 DC H4' H 4.22 . 1 56 7 7 DC H5'' H 4.03 . 1 57 7 7 DC H5 H 6.08 . 1 58 7 7 DC H6 H 7.75 . 1 59 7 7 DC H41 H 7.34 . 1 60 7 7 DC H42 H 8.56 . 1 61 8 8 DA H1' H 6.24 . 1 62 8 8 DA H2' H 2.83 . 1 63 8 8 DA H2'' H 2.93 . 1 64 8 8 DA H3' H 5.07 . 1 65 8 8 DA H4' H 4.43 . 1 66 8 8 DA H5'' H 4.15 . 1 67 8 8 DA H5' H 4.12 . 1 68 8 8 DA H2 H 7.87 . 1 69 8 8 DA H8 H 8.39 . 1 70 9 9 DC H1' H 5.61 . 1 71 9 9 DC H2' H 1.93 . 1 72 9 9 DC H2'' H 2.30 . 1 73 9 9 DC H3' H 4.83 . 1 74 9 9 DC H4' H 4.14 . 1 75 9 9 DC H5 H 5.39 . 1 76 9 9 DC H6 H 7.31 . 1 77 9 9 DC H41 H 6.72 . 1 78 9 9 DC H42 H 8.32 . 1 79 10 10 DG H1' H 6.00 . 1 80 10 10 DG H2' H 2.65 . 1 81 10 10 DG H2'' H 2.77 . 1 82 10 10 DG H3' H 4.99 . 1 83 10 10 DG H4' H 4.39 . 1 84 10 10 DG H5'' H 4.03 . 1 85 10 10 DG H8 H 7.91 . 1 86 10 10 DG H1 H 13.16 . 1 87 11 11 DC H1' H 6.19 . 1 88 11 11 DC H2' H 2.23 . 1 89 11 11 DC H3' H 4.53 . 1 90 11 11 DC H4' H 4.31 . 1 91 11 11 DC H5'' H 4.04 . 1 92 11 11 DC H5 H 5.40 . 1 93 11 11 DC H6 H 7.42 . 1 94 11 11 DC H41 H 6.71 . 1 95 11 11 DC H42 H 8.32 . 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _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 12 1 DG H1' H 6.06 . 1 2 12 1 DG H2' H 2.68 . 1 3 12 1 DG H2'' H 2.85 . 1 4 12 1 DG H3' H 4.90 . 1 5 12 1 DG H4' H 4.31 . 1 6 12 1 DG H5'' H 3.75 . 1 7 12 1 DG H8 H 8.03 . 1 8 13 2 DC H1' H 6.19 . 1 9 13 2 DC H2' H 2.01 . 1 10 13 2 DC H2'' H 2.73 . 1 11 13 2 DC H3' H 4.92 . 1 12 13 2 DC H4' H 4.35 . 1 13 13 2 DC H5'' H 4.12 . 2 14 13 2 DC H5' H 4.18 . 2 15 13 2 DC H5 H 5.43 . 1 16 13 2 DC H6 H 7.57 . 1 17 13 2 DC H41 H 6.63 . 1 18 13 2 DC H42 H 8.47 . 1 19 14 3 8OG H1' H 5.76 . 1 20 14 3 8OG H2' H 3.32 . 1 21 14 3 8OG H2'' H 2.45 . 1 22 14 3 8OG H3' H 4.89 . 1 23 14 3 8OG H4' H 4.25 . 1 24 14 3 8OG H7 H 10.18 . 1 25 14 3 8OG H1 H 13.08 . 1 26 15 4 DT H1' H 5.63 . 1 27 15 4 DT H2' H 1.92 . 1 28 15 4 DT H2'' H 2.15 . 1 29 15 4 DT H3' H 4.83 . 1 30 15 4 DT H4' H 4.12 . 1 31 15 4 DT H6 H 7.33 . 1 32 15 4 DT H71 H 1.72 . 1 33 15 4 DT H72 H 1.72 . 1 34 15 4 DT H73 H 1.72 . 1 35 15 4 DT H3 H 14.17 . 1 36 16 5 DG H1' H 5.52 . 1 37 16 5 DG H2' H 2.41 . 1 38 16 5 DG H2'' H 2.47 . 1 39 16 5 DG H3' H 4.93 . 1 40 16 5 DG H4' H 4.28 . 1 41 16 5 DG H5'' H 4.03 . 1 42 16 5 DG H8 H 7.70 . 1 43 16 5 DG H1 H 12.92 . 1 44 17 6 DG H1' H 4.99 . 1 45 17 6 DG H2' H 2.40 . 1 46 17 6 DG H2'' H 2.40 . 1 47 17 6 DG H3' H 4.85 . 1 48 17 6 DG H4' H 4.20 . 1 49 17 6 DG H8 H 7.75 . 1 50 17 6 DG H1 H 10.12 . 1 51 18 7 DG H1' H 5.52 . 1 52 18 7 DG H2' H 2.78 . 1 53 18 7 DG H2'' H 2.84 . 1 54 18 7 DG H3' H 5.03 . 1 55 18 7 DG H4' H 4.36 . 1 56 18 7 DG H5'' H 4.11 . 1 57 18 7 DG H8 H 7.89 . 1 58 18 7 DG H1 H 12.69 . 1 59 19 8 DA H1' H 6.00 . 1 60 19 8 DA H2' H 2.74 . 1 61 19 8 DA H2'' H 2.88 . 1 62 19 8 DA H3' H 5.07 . 1 63 19 8 DA H4' H 4.43 . 1 64 19 8 DA H5'' H 4.19 . 1 65 19 8 DA H5' H 4.11 . 1 66 19 8 DA H2 H 7.79 . 1 67 19 8 DA H8 H 8.15 . 1 68 20 9 DG H1' H 5.78 . 1 69 20 9 DG H2' H 2.52 . 1 70 20 9 DG H2'' H 2.66 . 1 71 20 9 DG H3' H 5.01 . 1 72 20 9 DG H4' H 4.42 . 1 73 20 9 DG H8 H 7.72 . 1 74 20 9 DG H1 H 12.89 . 1 75 21 10 DC H1' H 5.78 . 1 76 21 10 DC H2' H 1.93 . 1 77 21 10 DC H2'' H 2.37 . 1 78 21 10 DC H3' H 4.85 . 1 79 21 10 DC H4' H 4.20 . 1 80 21 10 DC H5'' H 4.12 . 1 81 21 10 DC H5 H 5.34 . 1 82 21 10 DC H6 H 7.34 . 1 83 21 10 DC H41 H 6.62 . 1 84 21 10 DC H42 H 8.43 . 1 85 22 11 DG H1' H 6.20 . 1 86 22 11 DG H2' H 2.39 . 1 87 22 11 DG H2'' H 2.66 . 1 88 22 11 DG H3' H 4.71 . 1 89 22 11 DG H4' H 4.23 . 1 90 22 11 DG H5'' H 4.08 . 1 91 22 11 DG H8 H 7.98 . 1 92 22 11 DG H1 H 13.12 . 1 stop_ save_