data_34328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dodecamer DNA containing the synthetic base pair P-Z ; _BMRB_accession_number 34328 _BMRB_flat_file_name bmr34328.str _Entry_type original _Submission_date 2018-11-10 _Accession_date 2018-11-10 _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 Padroni G. . . 2 Reichenbach L. F. . 3 Parkinson J. A. . 4 Burley G. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 98 "13C chemical shifts" 72 "31P chemical shifts" 11 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-31 update BMRB 'update entry citation' 2019-06-07 original author 'original release' stop_ _Original_release_date 2019-06-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence-selective minor groove recognition of a DNA duplex containing synthetic genetic components. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31117639 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Padroni G. . . 2 Withers J. M. . 3 Taladriz-Sender A. . . 4 Reichenbach L. F. . 5 Parkinson J. A. . 6 Burley G. A. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 141 _Journal_issue 24 _Journal_ASTM JACSAT _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9555 _Page_last 9563 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "DNA (5'-*(DC5)P*GP*AP*TP*(P)P*TP*AP*(Z)P*AP*TP*CP*(DG3))-3')" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 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 3706.414 _Mol_thiol_state 'not present' _Details DCZ)GAT(.DP)TA(.DZ)ATCG ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence ; CGATXTAXATCG ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DA 4 DT 5 DP 6 DT 7 DA 8 DZ 9 DA 10 DT 11 DC 12 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_DP _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common ; [(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate ; _BMRB_code DP _PDB_code DP _Standard_residue_derivative . _Molecular_mass 347.221 _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 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? C7 C7 C . 0 . ? N5 N5 N . 0 . ? C6 C6 C . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? N2 N2 N . 0 . ? O6 O6 O . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? OP3 OP3 O . 0 . ? H1 H1 H . 0 . ? H5'' H5'' H . 0 . ? H5' H5' H . 0 . ? H4' H4' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? H7 H7 H . 0 . ? H22 H22 H . 0 . ? H21 H21 H . 0 . ? H2'' H2'' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H3 H3 H . 0 . ? H4 H4 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 O3' C3' ? ? SING C3' C2' ? ? SING C3' C4' ? ? SING C2' C1' ? ? DOUB OP1 P ? ? SING OP2 P ? ? SING O5' C5' ? ? SING O5' P ? ? SING C4' C5' ? ? SING C4' O4' ? ? SING C1' O4' ? ? SING C1' N9 ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB N3 C4 ? ? SING N3 C2 ? ? DOUB C8 C7 ? ? SING C4 N5 ? ? SING N2 C2 ? ? DOUB C2 N1 ? ? SING C7 N5 ? ? SING N5 C6 ? ? SING N1 C6 ? ? DOUB C6 O6 ? ? SING P OP3 ? ? SING OP2 H1 ? ? SING C5' H5'' ? ? SING C5' H5' ? ? SING C4' H4' ? ? SING C1' H1' ? ? SING C8 H8 ? ? SING C7 H7 ? ? SING N2 H22 ? ? SING N2 H21 ? ? SING C2' H2'' ? ? SING C2' H2' ? ? SING C3' H3' ? ? SING O3' H3 ? ? SING OP3 H4 ? ? stop_ save_ save_chem_comp_DZ _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common '[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate' _BMRB_code DZ _PDB_code DZ _Standard_residue_derivative . _Molecular_mass 351.207 _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 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N N N . 1 . ? ON1 ON1 O . -1 . ? ON2 ON2 O . 0 . ? N4 N4 N . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? OP3 OP3 O . 0 . ? H1 H1 H . 0 . ? H5'' H5'' H . 0 . ? H5' H5' H . 0 . ? H4' H4' H . 0 . ? H1' H1' H . 0 . ? H3 H3 H . 0 . ? H6 H6 H . 0 . ? H42 H42 H . 0 . ? H41 H41 H . 0 . ? H2'' H2'' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H2 H2 H . 0 . ? H4 H4 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 OP2 P ? ? SING ON1 N ? ? SING OP1 P ? ? SING P O5' ? ? SING O5' C5' ? ? DOUB N ON2 ? ? SING N C5 ? ? SING C3' C2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C2' C1' ? ? SING C5' C4' ? ? SING C6 C5 ? ? DOUB C6 C1 ? ? DOUB C5 C4 ? ? SING C4' O4' ? ? SING C1' C1 ? ? SING C1' O4' ? ? SING C1 C2 ? ? SING C4 N4 ? ? SING C4 N3 ? ? SING N3 C2 ? ? DOUB C2 O2 ? ? SING P OP3 ? ? SING OP1 H1 ? ? SING C5' H5'' ? ? SING C5' H5' ? ? SING C4' H4' ? ? SING C1' H1' ? ? SING N3 H3 ? ? SING C6 H6 ? ? SING N4 H42 ? ? SING N4 H41 ? ? SING C2' H2'' ? ? SING C2' H2' ? ? SING C3' H3' ? ? SING O3' H2 ? ? SING OP3 H4 ? ? 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 . . . . 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.3 mM ZP-DNA, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ZP-DNA 1.3 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.3 mM ZP-DNA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ZP-DNA 1.3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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 stop_ _Details . save_ save_software_4 _Saveframe_category software _Name MARDIGRAS _Version . loop_ _Vendor _Address _Electronic_address 'Brandan A. Borgias; Paul D. Thomas; He Liu; Anil Kumar.' . . stop_ loop_ _Task refinement stop_ _Details ; Brandan A. Borgias Paul D. Thomas He Liu Anil Kumar ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _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_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-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_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_31P-1H_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 31P-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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . 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 7.5 . 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 TSP H 1 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 31P-1H COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 5.732 0.001 1 2 1 1 DC H2' H 1.898 0.001 1 3 1 1 DC H2'' H 2.389 0.001 1 4 1 1 DC H3' H 4.700 0.001 1 5 1 1 DC H4' H 4.061 0.001 1 6 1 1 DC H5 H 5.883 0.000 1 7 1 1 DC H5' H 3.724 0.001 1 8 1 1 DC H6 H 7.609 0.001 1 9 1 1 DC C1' C 85.219 0.000 1 10 1 1 DC C2' C 37.246 0.000 1 11 1 1 DC C3' C 75.171 0.000 1 12 1 1 DC C4' C 85.576 0.000 1 13 1 1 DC C5' C 61.011 0.000 1 14 1 1 DC C6 C 140.456 0.000 1 15 2 2 DG H1' H 5.589 0.001 1 16 2 2 DG H2' H 2.744 0.001 1 17 2 2 DG H2'' H 2.833 0.001 1 18 2 2 DG H3' H 5.021 0.001 1 19 2 2 DG H4' H 4.346 0.001 1 20 2 2 DG H5' H 3.992 0.000 2 21 2 2 DG H5'' H 4.102 0.000 2 22 2 2 DG H8 H 7.964 0.001 1 23 2 2 DG C1' C 81.342 0.000 1 24 2 2 DG C2' C 37.387 0.000 1 25 2 2 DG C3' C 76.921 0.000 1 26 2 2 DG C4' C 84.657 0.000 1 27 2 2 DG C5' C 65.568 0.000 1 28 2 2 DG C8 C 135.586 0.000 1 29 2 2 DG P P -1.078 0.000 1 30 3 3 DA H1' H 6.317 0.001 1 31 3 3 DA H2 H 7.869 0.001 1 32 3 3 DA H2' H 2.719 0.001 1 33 3 3 DA H2'' H 2.987 0.000 1 34 3 3 DA H3' H 5.052 0.001 1 35 3 3 DA H4' H 4.512 0.001 1 36 3 3 DA H5' H 4.241 0.000 2 37 3 3 DA H5'' H 4.265 0.001 2 38 3 3 DA H8 H 8.271 0.001 1 39 3 3 DA C1' C 82.354 0.000 1 40 3 3 DA C2 C 152.266 0.000 1 41 3 3 DA C2' C 38.534 0.000 1 42 3 3 DA C3' C 76.716 0.000 1 43 3 3 DA C4' C 84.886 0.000 1 44 3 3 DA C5' C 65.891 0.000 1 45 3 3 DA C8 C 138.623 0.000 1 46 3 3 DA P P -1.065 0.000 1 47 4 4 DT H1' H 5.862 0.001 1 48 4 4 DT H2' H 2.138 0.001 1 49 4 4 DT H2'' H 2.520 0.001 1 50 4 4 DT H3' H 4.866 0.001 1 51 4 4 DT H4' H 4.216 0.001 1 52 4 4 DT H5' H 4.152 0.000 2 53 4 4 DT H5'' H 4.321 0.000 2 54 4 4 DT H6 H 7.170 0.001 1 55 4 4 DT H71 H 1.437 0.002 1 56 4 4 DT H72 H 1.437 0.002 1 57 4 4 DT H73 H 1.437 0.002 1 58 4 4 DT C1' C 82.231 0.000 1 59 4 4 DT C2' C 36.871 0.000 1 60 4 4 DT C3' C 73.929 0.000 1 61 4 4 DT C4' C 82.525 0.000 1 62 4 4 DT C5' C 63.920 0.000 1 63 4 4 DT C6 C 135.718 0.000 1 64 4 4 DT C7 C 11.321 0.000 1 65 4 4 DT P P -1.404 0.000 1 66 5 5 DP H1' H 5.989 0.001 1 67 5 5 DP H2' H 2.423 0.000 1 68 5 5 DP H2'' H 2.685 0.001 1 69 5 5 DP H3' H 4.934 0.001 1 70 5 5 DP H4' H 4.358 0.001 1 71 5 5 DP H5' H 4.151 0.000 1 72 5 5 DP H7 H 6.735 0.001 1 73 5 5 DP H8 H 7.254 0.001 1 74 5 5 DP C1' C 82.280 0.000 1 75 5 5 DP C2' C 37.551 0.000 1 76 5 5 DP C3' C 76.252 0.000 1 77 5 5 DP C4' C 84.569 0.000 1 78 5 5 DP C7 C 107.730 0.000 1 79 5 5 DP C8 C 115.446 0.000 1 80 5 5 DP P P -1.302 0.000 1 81 6 6 DT H1' H 5.648 0.000 1 82 6 6 DT H2' H 1.972 0.000 1 83 6 6 DT H2'' H 2.329 0.001 1 84 6 6 DT H3' H 4.877 0.001 1 85 6 6 DT H4' H 4.167 0.000 1 86 6 6 DT H6 H 7.199 0.001 1 87 6 6 DT H71 H 1.407 0.001 1 88 6 6 DT H72 H 1.407 0.001 1 89 6 6 DT H73 H 1.407 0.001 1 90 6 6 DT C1' C 82.593 0.000 1 91 6 6 DT C2' C 36.436 0.000 1 92 6 6 DT C3' C 75.083 0.000 1 93 6 6 DT C4' C 83.185 0.000 1 94 6 6 DT C6 C 136.535 0.000 1 95 6 6 DT C7 C 11.526 0.000 1 96 6 6 DT P P -1.598 0.000 1 97 7 7 DA H1' H 6.197 0.001 1 98 7 7 DA H2 H 7.443 0.001 1 99 7 7 DA H2' H 2.724 0.000 1 100 7 7 DA H2'' H 3.102 0.000 1 101 7 7 DA H3' H 5.065 0.001 1 102 7 7 DA H4' H 4.411 0.001 1 103 7 7 DA H5' H 4.050 0.001 2 104 7 7 DA H5'' H 4.155 0.000 2 105 7 7 DA H8 H 8.162 0.001 1 106 7 7 DA C1' C 82.251 0.000 1 107 7 7 DA C2 C 151.942 0.000 1 108 7 7 DA C2' C 37.301 0.000 1 109 7 7 DA C3' C 77.029 0.000 1 110 7 7 DA C4' C 84.789 0.000 1 111 7 7 DA C5' C 65.587 0.000 1 112 7 7 DA C8 C 139.043 0.000 1 113 7 7 DA P P -1.257 0.000 1 114 8 8 DZ H1' H 4.435 0.001 1 115 8 8 DZ H2' H 1.888 0.001 1 116 8 8 DZ H2'' H 2.252 0.001 1 117 8 8 DZ H3' H 4.630 0.001 1 118 8 8 DZ H4 H 7.738 0.001 1 119 8 8 DZ H4' H 4.145 0.001 1 120 8 8 DZ C1' C 72.198 0.000 1 121 8 8 DZ C2' C 38.890 0.000 1 122 8 8 DZ C3' C 75.332 0.000 1 123 8 8 DZ C4' C 83.033 0.000 1 124 8 8 DZ C6 C 132.415 0.000 1 125 8 8 DZ P P -1.201 0.000 1 126 9 9 DA H1' H 6.167 0.001 1 127 9 9 DA H2 H 7.582 0.001 1 128 9 9 DA H2' H 2.584 0.001 1 129 9 9 DA H2'' H 2.882 0.000 1 130 9 9 DA H3' H 4.948 0.001 1 131 9 9 DA H4' H 4.369 0.001 1 132 9 9 DA H8 H 8.154 0.001 1 133 9 9 DA C1' C 82.735 0.000 1 134 9 9 DA C2 C 151.438 0.000 1 135 9 9 DA C2' C 38.621 0.000 1 136 9 9 DA C3' C 76.090 0.000 1 137 9 9 DA C4' C 84.598 0.000 1 138 9 9 DA C8 C 139.161 0.000 1 139 9 9 DA P P -0.801 0.000 1 140 10 10 DT H1' H 5.944 0.001 1 141 10 10 DT H2' H 2.013 0.001 1 142 10 10 DT H2'' H 2.429 0.000 1 143 10 10 DT H3' H 4.848 0.001 1 144 10 10 DT H4' H 4.180 0.001 1 145 10 10 DT H6 H 7.207 0.001 1 146 10 10 DT H71 H 1.328 0.001 1 147 10 10 DT H72 H 1.328 0.001 1 148 10 10 DT H73 H 1.328 0.001 1 149 10 10 DT C1' C 82.491 0.000 1 150 10 10 DT C2' C 36.636 0.000 1 151 10 10 DT C3' C 74.071 0.000 1 152 10 10 DT C4' C 82.623 0.000 1 153 10 10 DT C6 C 135.889 0.000 1 154 10 10 DT C7 C 11.294 0.000 1 155 10 10 DT P P -1.497 0.000 1 156 11 11 DC H1' H 5.737 0.001 1 157 11 11 DC H2' H 2.012 0.000 1 158 11 11 DC H2'' H 2.380 0.000 1 159 11 11 DC H3' H 4.844 0.001 1 160 11 11 DC H4' H 4.130 0.001 1 161 11 11 DC H5 H 5.651 0.001 1 162 11 11 DC H6 H 7.472 0.001 1 163 11 11 DC C1' C 83.821 0.000 1 164 11 11 DC C2' C 36.583 0.000 1 165 11 11 DC C3' C 74.193 0.000 1 166 11 11 DC C4' C 82.813 0.000 1 167 11 11 DC C6 C 141.107 0.000 1 168 11 11 DC P P -1.258 0.000 1 169 12 12 DG H1' H 6.168 0.001 1 170 12 12 DG H2' H 2.622 0.001 1 171 12 12 DG H2'' H 2.378 0.001 1 172 12 12 DG H3' H 4.688 0.001 1 173 12 12 DG H4' H 4.193 0.001 1 174 12 12 DG H5'' H 4.092 0.000 2 175 12 12 DG H8 H 7.947 0.001 1 176 12 12 DG C1' C 82.075 0.000 1 177 12 12 DG C2' C 39.159 0.000 1 178 12 12 DG C3' C 70.795 0.000 1 179 12 12 DG C4' C 85.287 0.000 1 180 12 12 DG C8 C 136.554 0.000 1 181 12 12 DG P P -0.893 0.000 1 stop_ save_