################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'B-form chemical shifts for 8mG4 d(CpG)3' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52125 1 2 '2D 1H-13C HSQC' . . . 52125 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52125 1 2 $software_2 . . 52125 1 3 $software_3 . . 52125 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DC H1' H 1 5.82 0 . 1 . . . . . 1 C H1' . 52125 1 2 . 1 . 1 1 1 DC H2'' H 1 2.012 0 . 1 . . . . . 1 C H2'' . 52125 1 3 . 1 . 1 1 1 DC H4' H 1 4.088 0 . 1 . . . . . 1 C H4' . 52125 1 4 . 1 . 1 1 1 DC H5 H 1 5.893 0 . 1 . . . . . 1 C H5 . 52125 1 5 . 1 . 1 1 1 DC H5' H 1 3.732 0 . 1 . . . . . 1 C H5' . 52125 1 6 . 1 . 1 1 1 DC H5'' H 1 3.73 0.001 . 1 . . . . . 1 C H5'' . 52125 1 7 . 1 . 1 1 1 DC H6 H 1 7.646 0 . 1 . . . . . 1 C H6 . 52125 1 8 . 1 . 1 1 1 DC C1' C 13 88.184 0 . 1 . . . . . 1 C C1' . 52125 1 9 . 1 . 1 1 1 DC C2' C 13 40.082 0 . 1 . . . . . 1 C C2' . 52125 1 10 . 1 . 1 1 1 DC C4' C 13 88.37 0 . 1 . . . . . 1 C C4' . 52125 1 11 . 1 . 1 1 1 DC C5 C 13 98.964 0 . 1 . . . . . 1 C C5 . 52125 1 12 . 1 . 1 1 1 DC C5' C 13 63.813 0 . 1 . . . . . 1 C C5' . 52125 1 13 . 1 . 1 1 1 DC C6 C 13 143.461 0 . 1 . . . . . 1 C C6 . 52125 1 14 . 1 . 1 2 2 DG H1' H 1 5.94 0 . 1 . . . . . 2 G H1' . 52125 1 15 . 1 . 1 2 2 DG H8 H 1 7.986 0 . 1 . . . . . 2 G H8 . 52125 1 16 . 1 . 1 2 2 DG C1' C 13 84.518 0 . 1 . . . . . 2 G C1' . 52125 1 17 . 1 . 1 2 2 DG C8 C 13 138.228 0 . 1 . . . . . 2 G C8 . 52125 1 18 . 1 . 1 3 3 DC H1' H 1 5.904 0 . 1 . . . . . 3 C H1' . 52125 1 19 . 1 . 1 3 3 DC H4' H 1 4.193 0 . 1 . . . . . 3 C H4' . 52125 1 20 . 1 . 1 3 3 DC H5 H 1 5.53 0 . 1 . . . . . 3 C H5 . 52125 1 21 . 1 . 1 3 3 DC H6 H 1 7.495 0 . 1 . . . . . 3 C H6 . 52125 1 22 . 1 . 1 3 3 DC C1' C 13 86.93 0 . 1 . . . . . 3 C C1' . 52125 1 23 . 1 . 1 3 3 DC C4' C 13 85.134 0 . 1 . . . . . 3 C C4' . 52125 1 24 . 1 . 1 3 3 DC C5 C 13 98.711 0 . 1 . . . . . 3 C C5 . 52125 1 25 . 1 . 1 3 3 DC C6 C 13 143.398 0 . 1 . . . . . 3 C C6 . 52125 1 26 . 1 . 1 4 4 8MG H1' H 1 5.907 0 . 1 . . . . . 4 X H1' . 52125 1 27 . 1 . 1 4 4 8MG H4' H 1 4.124 0 . 1 . . . . . 4 X H4' . 52125 1 28 . 1 . 1 4 4 8MG C1' C 13 84.431 0 . 1 . . . . . 4 X C1' . 52125 1 29 . 1 . 1 4 4 8MG C4' C 13 85.159 0 . 1 . . . . . 4 X C4' . 52125 1 30 . 1 . 1 4 4 8MG C9 C 13 18.77 0 . 1 . . . . . 4 X C9 . 52125 1 31 . 1 . 1 4 4 8MG H9 H 1 2.435 0 . 1 . . . . . 4 X M9 . 52125 1 32 . 1 . 1 5 5 DC H1' H 1 5.947 0 . 1 . . . . . 5 C H1' . 52125 1 33 . 1 . 1 5 5 DC H4' H 1 4.169 0 . 1 . . . . . 5 C H4' . 52125 1 34 . 1 . 1 5 5 DC H5 H 1 5.567 0 . 1 . . . . . 5 C H5 . 52125 1 35 . 1 . 1 5 5 DC H6 H 1 7.45 0 . 1 . . . . . 5 C H6 . 52125 1 36 . 1 . 1 5 5 DC C1' C 13 86.82 0 . 1 . . . . . 5 C C1' . 52125 1 37 . 1 . 1 5 5 DC C4' C 13 85.16 0 . 1 . . . . . 5 C C4' . 52125 1 38 . 1 . 1 5 5 DC C5 C 13 98.622 0 . 1 . . . . . 5 C C5 . 52125 1 39 . 1 . 1 5 5 DC C6 C 13 143.302 0 . 1 . . . . . 5 C C6 . 52125 1 40 . 1 . 1 6 6 DG H1' H 1 6.186 0 . 1 . . . . . 6 G H1' . 52125 1 41 . 1 . 1 6 6 DG H2' H 1 2.434 0 . 1 . . . . . 6 G H2' . 52125 1 42 . 1 . 1 6 6 DG H2'' H 1 2.649 0 . 1 . . . . . 6 G H2'' . 52125 1 43 . 1 . 1 6 6 DG H4' H 1 4.178 0 . 1 . . . . . 6 G H4' . 52125 1 44 . 1 . 1 6 6 DG H5' H 1 4.098 0 . 1 . . . . . 6 G H5' . 52125 1 45 . 1 . 1 6 6 DG H5'' H 1 4.071 0 . 1 . . . . . 6 G H5'' . 52125 1 46 . 1 . 1 6 6 DG H8 H 1 7.95 0 . 1 . . . . . 6 G H8 . 52125 1 47 . 1 . 1 6 6 DG C1' C 13 84.982 0 . 1 . . . . . 6 G C1' . 52125 1 48 . 1 . 1 6 6 DG C2' C 13 41.673 0.008 . 1 . . . . . 6 G C2' . 52125 1 49 . 1 . 1 6 6 DG C4' C 13 87.984 0 . 1 . . . . . 6 G C4' . 52125 1 50 . 1 . 1 6 6 DG C5' C 13 67.711 0.002 . 1 . . . . . 6 G C5' . 52125 1 51 . 1 . 1 6 6 DG C8 C 13 139.386 0 . 1 . . . . . 6 G C8 . 52125 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52125 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Z-form chemical shifts for 8mG4 d(CpG)3' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52125 2 2 '2D 1H-13C HSQC' . . . 52125 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52125 2 2 $software_2 . . 52125 2 3 $software_3 . . 52125 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DC H1' H 1 5.806 0 . 1 . . . . . 1 C H1' . 52125 2 2 . 1 . 1 1 1 DC H2' H 1 1.643 0.001 . 1 . . . . . 1 C H2' . 52125 2 3 . 1 . 1 1 1 DC H2'' H 1 2.416 0.001 . 1 . . . . . 1 C H2'' . 52125 2 4 . 1 . 1 1 1 DC H3' H 1 4.576 0 . 1 . . . . . 1 C H3' . 52125 2 5 . 1 . 1 1 1 DC H4' H 1 3.66 0.001 . 1 . . . . . 1 C H4' . 52125 2 6 . 1 . 1 1 1 DC H5 H 1 5.806 0.002 . 1 . . . . . 1 C H5 . 52125 2 7 . 1 . 1 1 1 DC H5' H 1 3.118 0.001 . 1 . . . . . 1 C H5' . 52125 2 8 . 1 . 1 1 1 DC H5'' H 1 2.602 0.004 . 1 . . . . . 1 C H5'' . 52125 2 9 . 1 . 1 1 1 DC H6 H 1 7.468 0.002 . 1 . . . . . 1 C H6 . 52125 2 10 . 1 . 1 1 1 DC C1' C 13 89.586 0 . 1 . . . . . 1 C C1' . 52125 2 11 . 1 . 1 1 1 DC C2' C 13 43.029 0.002 . 1 . . . . . 1 C C2' . 52125 2 12 . 1 . 1 1 1 DC C3' C 13 80.554 0 . 1 . . . . . 1 C C3' . 52125 2 13 . 1 . 1 1 1 DC C4' C 13 87.436 0 . 1 . . . . . 1 C C4' . 52125 2 14 . 1 . 1 1 1 DC C5 C 13 99.141 0 . 1 . . . . . 1 C C5 . 52125 2 15 . 1 . 1 1 1 DC C5' C 13 63.533 0.003 . 1 . . . . . 1 C C5' . 52125 2 16 . 1 . 1 1 1 DC C6 C 13 142.481 0 . 1 . . . . . 1 C C6 . 52125 2 17 . 1 . 1 2 2 DG H1' H 1 6.203 0.001 . 1 . . . . . 2 G H1' . 52125 2 18 . 1 . 1 2 2 DG H2' H 1 2.709 0 . 1 . . . . . 2 G H2' . 52125 2 19 . 1 . 1 2 2 DG H2'' H 1 2.781 0 . 1 . . . . . 2 G H2'' . 52125 2 20 . 1 . 1 2 2 DG H3' H 1 5.013 0.002 . 1 . . . . . 2 G H3' . 52125 2 21 . 1 . 1 2 2 DG H4' H 1 4.18 0 . 1 . . . . . 2 G H4' . 52125 2 22 . 1 . 1 2 2 DG H5' H 1 4.185 0.002 . 1 . . . . . 2 G H5' . 52125 2 23 . 1 . 1 2 2 DG H5'' H 1 4.122 0.01 . 1 . . . . . 2 G H5'' . 52125 2 24 . 1 . 1 2 2 DG H8 H 1 7.755 0.001 . 1 . . . . . 2 G H8 . 52125 2 25 . 1 . 1 2 2 DG C1' C 13 87.484 0 . 1 . . . . . 2 G C1' . 52125 2 26 . 1 . 1 2 2 DG C2' C 13 40.283 0.003 . 1 . . . . . 2 G C2' . 52125 2 27 . 1 . 1 2 2 DG C3' C 13 76.866 0 . 1 . . . . . 2 G C3' . 52125 2 28 . 1 . 1 2 2 DG C4' C 13 87.003 0 . 1 . . . . . 2 G C4' . 52125 2 29 . 1 . 1 2 2 DG C5' C 13 68.598 0 . 1 . . . . . 2 G C5' . 52125 2 30 . 1 . 1 2 2 DG C8 C 13 141.449 0 . 1 . . . . . 2 G C8 . 52125 2 31 . 1 . 1 3 3 DC H1' H 1 5.71 0.002 . 1 . . . . . 3 C H1' . 52125 2 32 . 1 . 1 3 3 DC H2' H 1 1.707 0 . 1 . . . . . 3 C H2' . 52125 2 33 . 1 . 1 3 3 DC H2'' H 1 2.616 0 . 1 . . . . . 3 C H2'' . 52125 2 34 . 1 . 1 3 3 DC H4' H 1 3.82 0.001 . 1 . . . . . 3 C H4' . 52125 2 35 . 1 . 1 3 3 DC H5 H 1 5.087 0.002 . 1 . . . . . 3 C H5 . 52125 2 36 . 1 . 1 3 3 DC H5' H 1 2.584 0 . 1 . . . . . 3 C H5' . 52125 2 37 . 1 . 1 3 3 DC H5'' H 1 2.489 0 . 1 . . . . . 3 C H5'' . 52125 2 38 . 1 . 1 3 3 DC H6 H 1 7.359 0.001 . 1 . . . . . 3 C H6 . 52125 2 39 . 1 . 1 3 3 DC C1' C 13 89.348 0 . 1 . . . . . 3 C C1' . 52125 2 40 . 1 . 1 3 3 DC C2' C 13 44.189 0.001 . 1 . . . . . 3 C C2' . 52125 2 41 . 1 . 1 3 3 DC C4' C 13 86.32 0 . 1 . . . . . 3 C C4' . 52125 2 42 . 1 . 1 3 3 DC C5 C 13 98.248 0 . 1 . . . . . 3 C C5 . 52125 2 43 . 1 . 1 3 3 DC C5' C 13 60.521 0.006 . 1 . . . . . 3 C C5' . 52125 2 44 . 1 . 1 3 3 DC C6 C 13 142.198 0 . 1 . . . . . 3 C C6 . 52125 2 45 . 1 . 1 4 4 8MG H1' H 1 6.256 0.003 . 1 . . . . . 4 X H1' . 52125 2 46 . 1 . 1 4 4 8MG H2' H 1 2.723 0.001 . 1 . . . . . 4 X H2' . 52125 2 47 . 1 . 1 4 4 8MG H2'' H 1 2.844 0.001 . 1 . . . . . 4 X H2'' . 52125 2 48 . 1 . 1 4 4 8MG H3' H 1 4.966 0 . 1 . . . . . 4 X H3' . 52125 2 49 . 1 . 1 4 4 8MG H4' H 1 4.192 0.001 . 1 . . . . . 4 X H4' . 52125 2 50 . 1 . 1 4 4 8MG H5' H 1 3.821 0.001 . 1 . . . . . 4 X H5' . 52125 2 51 . 1 . 1 4 4 8MG H5'' H 1 3.782 0.002 . 1 . . . . . 4 X H5'' . 52125 2 52 . 1 . 1 4 4 8MG C1' C 13 88.589 0 . 1 . . . . . 4 X C1' . 52125 2 53 . 1 . 1 4 4 8MG C2' C 13 40.158 0.005 . 1 . . . . . 4 X C2' . 52125 2 54 . 1 . 1 4 4 8MG C3' C 13 77.037 0 . 1 . . . . . 4 X C3' . 52125 2 55 . 1 . 1 4 4 8MG C4' C 13 88.812 0 . 1 . . . . . 4 X C4' . 52125 2 56 . 1 . 1 4 4 8MG C5' C 13 67.298 0.007 . 1 . . . . . 4 X C5' . 52125 2 57 . 1 . 1 4 4 8MG C9 C 13 15.491 0.016 . 1 . . . . . 4 X C9 . 52125 2 58 . 1 . 1 4 4 8MG H9 H 1 2.537 0.001 . 1 . . . . . 4 X M9 . 52125 2 59 . 1 . 1 5 5 DC H1' H 1 5.904 0.003 . 1 . . . . . 5 C H1' . 52125 2 60 . 1 . 1 5 5 DC H2' H 1 1.755 0 . 1 . . . . . 5 C H2' . 52125 2 61 . 1 . 1 5 5 DC H2'' H 1 2.652 0.001 . 1 . . . . . 5 C H2'' . 52125 2 62 . 1 . 1 5 5 DC H4' H 1 3.929 0.001 . 1 . . . . . 5 C H4' . 52125 2 63 . 1 . 1 5 5 DC H5 H 1 5.239 0.001 . 1 . . . . . 5 C H5 . 52125 2 64 . 1 . 1 5 5 DC H5' H 1 2.763 0.001 . 1 . . . . . 5 C H5' . 52125 2 65 . 1 . 1 5 5 DC H5'' H 1 2.644 0.001 . 1 . . . . . 5 C H5'' . 52125 2 66 . 1 . 1 5 5 DC H6 H 1 7.464 0.001 . 1 . . . . . 5 C H6 . 52125 2 67 . 1 . 1 5 5 DC C1' C 13 89.315 0 . 1 . . . . . 5 C C1' . 52125 2 68 . 1 . 1 5 5 DC C2' C 13 44.152 0 . 1 . . . . . 5 C C2' . 52125 2 69 . 1 . 1 5 5 DC C4' C 13 86.533 0 . 1 . . . . . 5 C C4' . 52125 2 70 . 1 . 1 5 5 DC C5 C 13 98.376 0 . 1 . . . . . 5 C C5 . 52125 2 71 . 1 . 1 5 5 DC C5' C 13 67.286 0.002 . 1 . . . . . 5 C C5' . 52125 2 72 . 1 . 1 5 5 DC C6 C 13 142.451 0 . 1 . . . . . 5 C C6 . 52125 2 73 . 1 . 1 6 6 DG H1' H 1 6.255 0.002 . 1 . . . . . 6 G H1' . 52125 2 74 . 1 . 1 6 6 DG H2' H 1 2.435 0.001 . 1 . . . . . 6 G H2' . 52125 2 75 . 1 . 1 6 6 DG H2'' H 1 3.195 0.002 . 1 . . . . . 6 G H2'' . 52125 2 76 . 1 . 1 6 6 DG H3' H 1 4.957 0.003 . 1 . . . . . 6 G H3' . 52125 2 77 . 1 . 1 6 6 DG H4' H 1 4.192 0 . 1 . . . . . 6 G H4' . 52125 2 78 . 1 . 1 6 6 DG H5' H 1 4.184 0.002 . 1 . . . . . 6 G H5' . 52125 2 79 . 1 . 1 6 6 DG H5'' H 1 4.109 0.001 . 1 . . . . . 6 G H5'' . 52125 2 80 . 1 . 1 6 6 DG H8 H 1 7.818 0.001 . 1 . . . . . 6 G H8 . 52125 2 81 . 1 . 1 6 6 DG C1' C 13 86.03 0 . 1 . . . . . 6 G C1' . 52125 2 82 . 1 . 1 6 6 DG C2' C 13 39.792 0.01 . 1 . . . . . 6 G C2' . 52125 2 83 . 1 . 1 6 6 DG C3' C 13 77.054 0 . 1 . . . . . 6 G C3' . 52125 2 84 . 1 . 1 6 6 DG C4' C 13 86.936 0 . 1 . . . . . 6 G C4' . 52125 2 85 . 1 . 1 6 6 DG C5' C 13 68.804 0.636 . 1 . . . . . 6 G C5' . 52125 2 86 . 1 . 1 6 6 DG C8 C 13 142.506 0 . 1 . . . . . 6 G C8 . 52125 2 stop_ save_