################################### # 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_1 . 4488 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 H41 H 1 8.27 0.01 . 1 . . . . . . . . 4488 1 2 . 1 1 1 1 DC H42 H 1 7.14 0.01 . 1 . . . . . . . . 4488 1 3 . 1 1 1 1 DC H5 H 1 5.89 0.005 . 1 . . . . . . . . 4488 1 4 . 1 1 1 1 DC H6 H 1 7.67 0.005 . 1 . . . . . . . . 4488 1 5 . 1 1 1 1 DC H1' H 1 5.79 0.005 . 1 . . . . . . . . 4488 1 6 . 1 1 1 1 DC H2' H 1 2.03 0.005 . 1 . . . . . . . . 4488 1 7 . 1 1 1 1 DC H2'' H 1 2.46 0.005 . 1 . . . . . . . . 4488 1 8 . 1 1 1 1 DC H3' H 1 4.75 0.005 . 1 . . . . . . . . 4488 1 9 . 1 1 1 1 DC H4' H 1 4.11 0.005 . 1 . . . . . . . . 4488 1 10 . 1 1 2 2 DG H1 H 1 13.14 0.01 . 1 . . . . . . . . 4488 1 11 . 1 1 2 2 DG H8 H 1 8.01 0.005 . 1 . . . . . . . . 4488 1 12 . 1 1 2 2 DG H1' H 1 5.92 0.005 . 1 . . . . . . . . 4488 1 13 . 1 1 2 2 DG H2' H 1 2.70 0.005 . 1 . . . . . . . . 4488 1 14 . 1 1 2 2 DG H2'' H 1 2.76 0.005 . 1 . . . . . . . . 4488 1 15 . 1 1 2 2 DG H3' H 1 5.02 0.005 . 1 . . . . . . . . 4488 1 16 . 1 1 2 2 DG H4' H 1 4.41 0.005 . 1 . . . . . . . . 4488 1 17 . 1 1 3 3 DC H41 H 1 8.42 0.01 . 1 . . . . . . . . 4488 1 18 . 1 1 3 3 DC H42 H 1 6.68 0.01 . 1 . . . . . . . . 4488 1 19 . 1 1 3 3 DC H5 H 1 5.44 0.005 . 1 . . . . . . . . 4488 1 20 . 1 1 3 3 DC H6 H 1 7.35 0.005 . 1 . . . . . . . . 4488 1 21 . 1 1 3 3 DC H1' H 1 5.77 0.005 . 1 . . . . . . . . 4488 1 22 . 1 1 3 3 DC H2' H 1 2.14 0.005 . 1 . . . . . . . . 4488 1 23 . 1 1 3 3 DC H2'' H 1 2.47 0.005 . 1 . . . . . . . . 4488 1 24 . 1 1 3 3 DC H3' H 1 4.85 0.005 . 1 . . . . . . . . 4488 1 25 . 1 1 3 3 DC H4' H 1 4.27 0.005 . 1 . . . . . . . . 4488 1 26 . 1 1 4 4 DA H2 H 1 7.77 0.005 . 1 . . . . . . . . 4488 1 27 . 1 1 4 4 DA H8 H 1 8.29 0.005 . 1 . . . . . . . . 4488 1 28 . 1 1 4 4 DA H1' H 1 6.40 0.005 . 1 . . . . . . . . 4488 1 29 . 1 1 4 4 DA H2' H 1 2.83 0.005 . 1 . . . . . . . . 4488 1 30 . 1 1 4 4 DA H2'' H 1 2.83 0.005 . 1 . . . . . . . . 4488 1 31 . 1 1 4 4 DA H3' H 1 4.97 0.005 . 1 . . . . . . . . 4488 1 32 . 1 1 4 4 DA H4' H 1 4.43 0.005 . 1 . . . . . . . . 4488 1 33 . 1 1 5 5 64T H3 H 1 13.14 0.01 . 1 . . . . . . . . 4488 1 34 . 1 1 5 5 64T H61 H 1 4.75 0.005 . 1 . . . . . . . . 4488 1 35 . 1 1 5 5 64T H62 H 1 4.75 0.005 . 1 . . . . . . . . 4488 1 36 . 1 1 5 5 64T H71 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1 37 . 1 1 5 5 64T H72 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1 38 . 1 1 5 5 64T H73 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1 39 . 1 1 5 5 64T H1' H 1 5.54 0.005 . 1 . . . . . . . . 4488 1 40 . 1 1 5 5 64T H2' H 1 0.94 0.005 . 1 . . . . . . . . 4488 1 41 . 1 1 5 5 64T H2'' H 1 1.86 0.005 . 1 . . . . . . . . 4488 1 42 . 1 1 5 5 64T H3' H 1 4.75 0.005 . 1 . . . . . . . . 4488 1 43 . 1 1 5 5 64T H4' H 1 3.90 0.005 . 1 . . . . . . . . 4488 1 44 . 1 1 6 6 DT H6 H 1 7.96 0.005 . 1 . . . . . . . . 4488 1 45 . 1 1 6 6 DT H71 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1 46 . 1 1 6 6 DT H72 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1 47 . 1 1 6 6 DT H73 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1 48 . 1 1 6 6 DT H1' H 1 6.24 0.005 . 1 . . . . . . . . 4488 1 49 . 1 1 6 6 DT H2' H 1 2.64 0.005 . 1 . . . . . . . . 4488 1 50 . 1 1 6 6 DT H2'' H 1 3.03 0.005 . 1 . . . . . . . . 4488 1 51 . 1 1 6 6 DT H3' H 1 5.01 0.005 . 1 . . . . . . . . 4488 1 52 . 1 1 6 6 DT H4' H 1 3.89 0.005 . 1 . . . . . . . . 4488 1 53 . 1 1 7 7 DA H2 H 1 7.83 0.005 . 1 . . . . . . . . 4488 1 54 . 1 1 7 7 DA H8 H 1 8.45 0.005 . 1 . . . . . . . . 4488 1 55 . 1 1 7 7 DA H1' H 1 6.35 0.005 . 1 . . . . . . . . 4488 1 56 . 1 1 7 7 DA H2' H 1 2.82 0.005 . 1 . . . . . . . . 4488 1 57 . 1 1 7 7 DA H2'' H 1 3.00 0.005 . 1 . . . . . . . . 4488 1 58 . 1 1 7 7 DA H3' H 1 5.09 0.005 . 1 . . . . . . . . 4488 1 59 . 1 1 7 7 DA H4' H 1 4.48 0.005 . 1 . . . . . . . . 4488 1 60 . 1 1 8 8 DC H41 H 1 8.34 0.01 . 1 . . . . . . . . 4488 1 61 . 1 1 8 8 DC H42 H 1 6.78 0.01 . 1 . . . . . . . . 4488 1 62 . 1 1 8 8 DC H5 H 1 5.37 0.005 . 1 . . . . . . . . 4488 1 63 . 1 1 8 8 DC H6 H 1 7.33 0.005 . 1 . . . . . . . . 4488 1 64 . 1 1 8 8 DC H1' H 1 5.59 0.005 . 1 . . . . . . . . 4488 1 65 . 1 1 8 8 DC H2' H 1 2.02 0.005 . 1 . . . . . . . . 4488 1 66 . 1 1 8 8 DC H2'' H 1 2.35 0.005 . 1 . . . . . . . . 4488 1 67 . 1 1 8 8 DC H3' H 1 4.88 0.005 . 1 . . . . . . . . 4488 1 68 . 1 1 8 8 DC H4' H 1 4.16 0.005 . 1 . . . . . . . . 4488 1 69 . 1 1 9 9 DG H1 H 1 13.15 0.01 . 1 . . . . . . . . 4488 1 70 . 1 1 9 9 DG H8 H 1 7.89 0.005 . 1 . . . . . . . . 4488 1 71 . 1 1 9 9 DG H1' H 1 5.98 0.005 . 1 . . . . . . . . 4488 1 72 . 1 1 9 9 DG H2' H 1 2.61 0.005 . 1 . . . . . . . . 4488 1 73 . 1 1 9 9 DG H2'' H 1 2.75 0.005 . 1 . . . . . . . . 4488 1 74 . 1 1 9 9 DG H3' H 1 5.01 0.005 . 1 . . . . . . . . 4488 1 75 . 1 1 9 9 DG H4' H 1 4.40 0.005 . 1 . . . . . . . . 4488 1 76 . 1 1 10 10 DC H41 H 1 8.29 0.01 . 1 . . . . . . . . 4488 1 77 . 1 1 10 10 DC H42 H 1 6.65 0.01 . 1 . . . . . . . . 4488 1 78 . 1 1 10 10 DC H5 H 1 5.19 0.005 . 1 . . . . . . . . 4488 1 79 . 1 1 10 10 DC H6 H 1 7.36 0.005 . 1 . . . . . . . . 4488 1 80 . 1 1 10 10 DC H1' H 1 6.16 0.005 . 1 . . . . . . . . 4488 1 81 . 1 1 10 10 DC H2' H 1 2.26 0.005 . 1 . . . . . . . . 4488 1 82 . 1 1 10 10 DC H2'' H 1 2.30 0.005 . 1 . . . . . . . . 4488 1 83 . 1 1 10 10 DC H3' H 1 4.54 0.005 . 1 . . . . . . . . 4488 1 84 . 1 1 10 10 DC H4' H 1 4.04 0.005 . 1 . . . . . . . . 4488 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_chem_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4488 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_1 . 4488 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 2 2 1 1 DG H1 H 1 13.09 0.01 . 1 . . . . . . . . 4488 2 2 . 2 2 1 1 DG H8 H 1 8.00 0.005 . 1 . . . . . . . . 4488 2 3 . 2 2 1 1 DG H1' H 1 6.00 0.005 . 1 . . . . . . . . 4488 2 4 . 2 2 1 1 DG H2' H 1 2.67 0.005 . 1 . . . . . . . . 4488 2 5 . 2 2 1 1 DG H2'' H 1 2.83 0.005 . 1 . . . . . . . . 4488 2 6 . 2 2 1 1 DG H3' H 1 4.90 0.005 . 1 . . . . . . . . 4488 2 7 . 2 2 1 1 DG H4' H 1 4.33 0.005 . 1 . . . . . . . . 4488 2 8 . 2 2 2 2 DC H41 H 1 8.49 0.01 . 1 . . . . . . . . 4488 2 9 . 2 2 2 2 DC H42 H 1 6.67 0.01 . 1 . . . . . . . . 4488 2 10 . 2 2 2 2 DC H5 H 1 5.38 0.005 . 1 . . . . . . . . 4488 2 11 . 2 2 2 2 DC H6 H 1 7.44 0.005 . 1 . . . . . . . . 4488 2 12 . 2 2 2 2 DC H1' H 1 5.79 0.005 . 1 . . . . . . . . 4488 2 13 . 2 2 2 2 DC H2' H 1 2.18 0.005 . 1 . . . . . . . . 4488 2 14 . 2 2 2 2 DC H2'' H 1 2.50 0.005 . 1 . . . . . . . . 4488 2 15 . 2 2 2 2 DC H3' H 1 4.93 0.005 . 1 . . . . . . . . 4488 2 16 . 2 2 2 2 DC H4' H 1 4.24 0.005 . 1 . . . . . . . . 4488 2 17 . 2 2 3 3 DG H1 H 1 12.98 0.01 . 1 . . . . . . . . 4488 2 18 . 2 2 3 3 DG H8 H 1 8.01 0.005 . 1 . . . . . . . . 4488 2 19 . 2 2 3 3 DG H1' H 1 6.02 0.005 . 1 . . . . . . . . 4488 2 20 . 2 2 3 3 DG H2' H 1 2.70 0.005 . 1 . . . . . . . . 4488 2 21 . 2 2 3 3 DG H2'' H 1 2.83 0.005 . 1 . . . . . . . . 4488 2 22 . 2 2 3 3 DG H3' H 1 5.04 0.005 . 1 . . . . . . . . 4488 2 23 . 2 2 3 3 DG H4' H 1 4.43 0.005 . 1 . . . . . . . . 4488 2 24 . 2 2 4 4 DT H3 H 1 13.67 0.005 . 1 . . . . . . . . 4488 2 25 . 2 2 4 4 DT H6 H 1 7.15 0.005 . 1 . . . . . . . . 4488 2 26 . 2 2 4 4 DT H71 H 1 1.52 0.005 . 2 . . . . . . . . 4488 2 27 . 2 2 4 4 DT H72 H 1 1.52 0.005 . 2 . . . . . . . . 4488 2 28 . 2 2 4 4 DT H73 H 1 1.52 0.005 . 2 . . . . . . . . 4488 2 29 . 2 2 4 4 DT H1' H 1 5.95 0.005 . 1 . . . . . . . . 4488 2 30 . 2 2 4 4 DT H2' H 1 1.98 0.005 . 1 . . . . . . . . 4488 2 31 . 2 2 4 4 DT H2'' H 1 2.46 0.005 . 1 . . . . . . . . 4488 2 32 . 2 2 4 4 DT H3' H 1 4.89 0.005 . 1 . . . . . . . . 4488 2 33 . 2 2 4 4 DT H4' H 1 4.26 0.005 . 1 . . . . . . . . 4488 2 34 . 2 2 5 5 DG H1 H 1 10.30 0.01 . 1 . . . . . . . . 4488 2 35 . 2 2 5 5 DG H21 H 1 7.84 0.01 . 1 . . . . . . . . 4488 2 36 . 2 2 5 5 DG H8 H 1 7.76 0.005 . 1 . . . . . . . . 4488 2 37 . 2 2 5 5 DG H1' H 1 5.46 0.005 . 1 . . . . . . . . 4488 2 38 . 2 2 5 5 DG H2' H 1 2.22 0.005 . 1 . . . . . . . . 4488 2 39 . 2 2 5 5 DG H2'' H 1 2.35 0.005 . 1 . . . . . . . . 4488 2 40 . 2 2 5 5 DG H3' H 1 4.93 0.005 . 1 . . . . . . . . 4488 2 41 . 2 2 5 5 DG H4' H 1 4.18 0.005 . 1 . . . . . . . . 4488 2 42 . 2 2 6 6 DA H2 H 1 7.62 0.005 . 1 . . . . . . . . 4488 2 43 . 2 2 6 6 DA H8 H 1 8.28 0.005 . 1 . . . . . . . . 4488 2 44 . 2 2 6 6 DA H1' H 1 6.09 0.005 . 1 . . . . . . . . 4488 2 45 . 2 2 6 6 DA H2' H 1 2.70 0.005 . 1 . . . . . . . . 4488 2 46 . 2 2 6 6 DA H2'' H 1 2.79 0.005 . 1 . . . . . . . . 4488 2 47 . 2 2 6 6 DA H3' H 1 5.02 0.005 . 1 . . . . . . . . 4488 2 48 . 2 2 6 6 DA H4' H 1 4.37 0.005 . 1 . . . . . . . . 4488 2 49 . 2 2 7 7 DT H3 H 1 13.37 0.01 . 1 . . . . . . . . 4488 2 50 . 2 2 7 7 DT H6 H 1 7.23 0.005 . 1 . . . . . . . . 4488 2 51 . 2 2 7 7 DT H71 H 1 1.46 0.005 . 2 . . . . . . . . 4488 2 52 . 2 2 7 7 DT H72 H 1 1.46 0.005 . 2 . . . . . . . . 4488 2 53 . 2 2 7 7 DT H73 H 1 1.46 0.005 . 2 . . . . . . . . 4488 2 54 . 2 2 7 7 DT H1' H 1 5.69 0.005 . 1 . . . . . . . . 4488 2 55 . 2 2 7 7 DT H2' H 1 2.17 0.005 . 1 . . . . . . . . 4488 2 56 . 2 2 7 7 DT H2'' H 1 2.39 0.005 . 1 . . . . . . . . 4488 2 57 . 2 2 7 7 DT H3' H 1 4.83 0.005 . 1 . . . . . . . . 4488 2 58 . 2 2 7 7 DT H4' H 1 4.19 0.005 . 1 . . . . . . . . 4488 2 59 . 2 2 8 8 DG H1 H 1 12.72 0.01 . 1 . . . . . . . . 4488 2 60 . 2 2 8 8 DG H8 H 1 7.96 0.005 . 1 . . . . . . . . 4488 2 61 . 2 2 8 8 DG H1' H 1 5.96 0.005 . 1 . . . . . . . . 4488 2 62 . 2 2 8 8 DG H2' H 1 2.68 0.005 . 1 . . . . . . . . 4488 2 63 . 2 2 8 8 DG H2'' H 1 2.68 0.005 . 1 . . . . . . . . 4488 2 64 . 2 2 8 8 DG H3' H 1 5.03 0.005 . 1 . . . . . . . . 4488 2 65 . 2 2 8 8 DG H4' H 1 4.44 0.005 . 1 . . . . . . . . 4488 2 66 . 2 2 9 9 DC H41 H 1 8.53 0.01 . 1 . . . . . . . . 4488 2 67 . 2 2 9 9 DC H42 H 1 6.74 0.01 . 1 . . . . . . . . 4488 2 68 . 2 2 9 9 DC H5 H 1 5.45 0.005 . 1 . . . . . . . . 4488 2 69 . 2 2 9 9 DC H6 H 1 7.43 0.005 . 1 . . . . . . . . 4488 2 70 . 2 2 9 9 DC H1' H 1 5.81 0.005 . 1 . . . . . . . . 4488 2 71 . 2 2 9 9 DC H2' H 1 2.01 0.005 . 1 . . . . . . . . 4488 2 72 . 2 2 9 9 DC H2'' H 1 2.40 0.005 . 1 . . . . . . . . 4488 2 73 . 2 2 9 9 DC H3' H 1 4.90 0.005 . 1 . . . . . . . . 4488 2 74 . 2 2 9 9 DC H4' H 1 4.24 0.005 . 1 . . . . . . . . 4488 2 75 . 2 2 10 10 DG H1 H 1 13.23 0.01 . 1 . . . . . . . . 4488 2 76 . 2 2 10 10 DG H8 H 1 7.99 0.005 . 1 . . . . . . . . 4488 2 77 . 2 2 10 10 DG H1' H 1 6.20 0.005 . 1 . . . . . . . . 4488 2 78 . 2 2 10 10 DG H2' H 1 2.41 0.005 . 1 . . . . . . . . 4488 2 79 . 2 2 10 10 DG H2'' H 1 2.70 0.005 . 1 . . . . . . . . 4488 2 80 . 2 2 10 10 DG H3' H 1 4.74 0.005 . 1 . . . . . . . . 4488 2 81 . 2 2 10 10 DG H4' H 1 4.24 0.005 . 1 . . . . . . . . 4488 2 stop_ save_