################################### # 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 4412 _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 $chem_shift_ref _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 . 4412 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 8.23 . . . . . . . . . . . 4412 1 2 . 1 1 1 1 DC H42 H 1 7.15 . . . . . . . . . . . 4412 1 3 . 1 1 1 1 DC H5 H 1 5.87 . . . . . . . . . . . 4412 1 4 . 1 1 1 1 DC H6 H 1 7.66 . . . . . . . . . . . 4412 1 5 . 1 1 1 1 DC H1' H 1 5.73 . . . . . . . . . . . 4412 1 6 . 1 1 1 1 DC H2' H 1 2.03 . . . . . . . . . . . 4412 1 7 . 1 1 1 1 DC H2'' H 1 2.45 . . . . . . . . . . . 4412 1 8 . 1 1 1 1 DC H3' H 1 4.74 . . . . . . . . . . . 4412 1 9 . 1 1 1 1 DC H4' H 1 4.11 . . . . . . . . . . . 4412 1 10 . 1 1 2 2 DG H1 H 1 13.14 . . . . . . . . . . . 4412 1 11 . 1 1 2 2 DG H8 H 1 8.01 . . . . . . . . . . . 4412 1 12 . 1 1 2 2 DG H1' H 1 5.95 . . . . . . . . . . . 4412 1 13 . 1 1 2 2 DG H2' H 1 2.70 . . . . . . . . . . . 4412 1 14 . 1 1 2 2 DG H2'' H 1 2.80 . . . . . . . . . . . 4412 1 15 . 1 1 2 2 DG H3' H 1 5.01 . . . . . . . . . . . 4412 1 16 . 1 1 2 2 DG H4' H 1 4.39 . . . . . . . . . . . 4412 1 17 . 1 1 3 3 DC H41 H 1 8.42 . . . . . . . . . . . 4412 1 18 . 1 1 3 3 DC H42 H 1 6.66 . . . . . . . . . . . 4412 1 19 . 1 1 3 3 DC H5 H 1 5.49 . . . . . . . . . . . 4412 1 20 . 1 1 3 3 DC H6 H 1 7.44 . . . . . . . . . . . 4412 1 21 . 1 1 3 3 DC H1' H 1 5.63 . . . . . . . . . . . 4412 1 22 . 1 1 3 3 DC H2' H 1 2.14 . . . . . . . . . . . 4412 1 23 . 1 1 3 3 DC H2'' H 1 2.46 . . . . . . . . . . . 4412 1 24 . 1 1 3 3 DC H3' H 1 4.89 . . . . . . . . . . . 4412 1 25 . 1 1 3 3 DC H4' H 1 4.24 . . . . . . . . . . . 4412 1 26 . 1 1 4 4 DA H2 H 1 7.87 . . . . . . . . . . . 4412 1 27 . 1 1 4 4 DA H8 H 1 8.38 . . . . . . . . . . . 4412 1 28 . 1 1 4 4 DA H1' H 1 6.41 . . . . . . . . . . . 4412 1 29 . 1 1 4 4 DA H2' H 1 2.73 . . . . . . . . . . . 4412 1 30 . 1 1 4 4 DA H2'' H 1 2.87 . . . . . . . . . . . 4412 1 31 . 1 1 4 4 DA H3' H 1 5.04 . . . . . . . . . . . 4412 1 32 . 1 1 4 4 DA H4' H 1 4.48 . . . . . . . . . . . 4412 1 33 . 1 1 5 5 PBT H3 H 1 11.94 . . . . . . . . . . . 4412 1 34 . 1 1 5 5 PBT H6C1 H 1 4.40 . . . . . . . . . . . 4412 1 35 . 1 1 5 5 PBT H6C2 H 1 4.40 . . . . . . . . . . . 4412 1 36 . 1 1 5 5 PBT H5M1 H 1 0.75 . . . . . . . . . . . 4412 1 37 . 1 1 5 5 PBT H5M2 H 1 0.75 . . . . . . . . . . . 4412 1 38 . 1 1 5 5 PBT H5M3 H 1 0.75 . . . . . . . . . . . 4412 1 39 . 1 1 5 5 PBT H1' H 1 5.45 . . . . . . . . . . . 4412 1 40 . 1 1 5 5 PBT H2'1 H 1 1.97 . . . . . . . . . . . 4412 1 41 . 1 1 5 5 PBT H2'2 H 1 2.37 . . . . . . . . . . . 4412 1 42 . 1 1 5 5 PBT H3' H 1 4.77 . . . . . . . . . . . 4412 1 43 . 1 1 5 5 PBT H4' H 1 4.23 . . . . . . . . . . . 4412 1 44 . 1 1 6 6 PBT H3 H 1 9.97 . . . . . . . . . . . 4412 1 45 . 1 1 6 6 PBT H6C1 H 1 4.05 . . . . . . . . . . . 4412 1 46 . 1 1 6 6 PBT H6C2 H 1 4.05 . . . . . . . . . . . 4412 1 47 . 1 1 6 6 PBT H5M1 H 1 1.45 . . . . . . . . . . . 4412 1 48 . 1 1 6 6 PBT H5M2 H 1 1.45 . . . . . . . . . . . 4412 1 49 . 1 1 6 6 PBT H5M3 H 1 1.45 . . . . . . . . . . . 4412 1 50 . 1 1 6 6 PBT H1' H 1 5.22 . . . . . . . . . . . 4412 1 51 . 1 1 6 6 PBT H2'1 H 1 1.72 . . . . . . . . . . . 4412 1 52 . 1 1 6 6 PBT H2'2 H 1 1.84 . . . . . . . . . . . 4412 1 53 . 1 1 6 6 PBT H3' H 1 4.72 . . . . . . . . . . . 4412 1 54 . 1 1 6 6 PBT H4' H 1 3.84 . . . . . . . . . . . 4412 1 55 . 1 1 7 7 DA H2 H 1 7.87 . . . . . . . . . . . 4412 1 56 . 1 1 7 7 DA H8 H 1 8.35 . . . . . . . . . . . 4412 1 57 . 1 1 7 7 DA H1' H 1 6.19 . . . . . . . . . . . 4412 1 58 . 1 1 7 7 DA H2' H 1 2.74 . . . . . . . . . . . 4412 1 59 . 1 1 7 7 DA H2'' H 1 2.82 . . . . . . . . . . . 4412 1 60 . 1 1 7 7 DA H3' H 1 5.01 . . . . . . . . . . . 4412 1 61 . 1 1 7 7 DA H4' H 1 4.37 . . . . . . . . . . . 4412 1 62 . 1 1 8 8 DC H41 H 1 8.28 . . . . . . . . . . . 4412 1 63 . 1 1 8 8 DC H42 H 1 6.74 . . . . . . . . . . . 4412 1 64 . 1 1 8 8 DC H5 H 1 5.29 . . . . . . . . . . . 4412 1 65 . 1 1 8 8 DC H6 H 1 7.36 . . . . . . . . . . . 4412 1 66 . 1 1 8 8 DC H1' H 1 5.55 . . . . . . . . . . . 4412 1 67 . 1 1 8 8 DC H2' H 1 2.05 . . . . . . . . . . . 4412 1 68 . 1 1 8 8 DC H2'' H 1 2.35 . . . . . . . . . . . 4412 1 69 . 1 1 8 8 DC H3' H 1 4.85 . . . . . . . . . . . 4412 1 70 . 1 1 8 8 DC H4' H 1 4.16 . . . . . . . . . . . 4412 1 71 . 1 1 9 9 DG H1 H 1 13.12 . . . . . . . . . . . 4412 1 72 . 1 1 9 9 DG H8 H 1 7.88 . . . . . . . . . . . 4412 1 73 . 1 1 9 9 DG H1' H 1 6.00 . . . . . . . . . . . 4412 1 74 . 1 1 9 9 DG H2' H 1 2.61 . . . . . . . . . . . 4412 1 75 . 1 1 9 9 DG H2'' H 1 2.76 . . . . . . . . . . . 4412 1 76 . 1 1 9 9 DG H3' H 1 5.01 . . . . . . . . . . . 4412 1 77 . 1 1 9 9 DG H4' H 1 4.40 . . . . . . . . . . . 4412 1 78 . 1 1 10 10 DC H41 H 1 8.30 . . . . . . . . . . . 4412 1 79 . 1 1 10 10 DC H42 H 1 7.30 . . . . . . . . . . . 4412 1 80 . 1 1 10 10 DC H5 H 1 5.17 . . . . . . . . . . . 4412 1 81 . 1 1 10 10 DC H6 H 1 7.34 . . . . . . . . . . . 4412 1 82 . 1 1 10 10 DC H1' H 1 6.16 . . . . . . . . . . . 4412 1 83 . 1 1 10 10 DC H2' H 1 2.23 . . . . . . . . . . . 4412 1 84 . 1 1 10 10 DC H2'' H 1 2.23 . . . . . . . . . . . 4412 1 85 . 1 1 10 10 DC H3' H 1 4.54 . . . . . . . . . . . 4412 1 86 . 1 1 10 10 DC H4' H 1 4.04 . . . . . . . . . . . 4412 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 4412 _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 $chem_shift_ref _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 . 4412 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 13.11 . . . . . . . . . . . 4412 2 2 . 2 2 1 1 DG H8 H 1 8.00 . . . . . . . . . . . 4412 2 3 . 2 2 1 1 DG H1' H 1 5.99 . . . . . . . . . . . 4412 2 4 . 2 2 1 1 DG H2' H 1 2.66 . . . . . . . . . . . 4412 2 5 . 2 2 1 1 DG H2'' H 1 2.82 . . . . . . . . . . . 4412 2 6 . 2 2 1 1 DG H3' H 1 4.88 . . . . . . . . . . . 4412 2 7 . 2 2 1 1 DG H4' H 1 4.41 . . . . . . . . . . . 4412 2 8 . 2 2 2 2 DC H41 H 1 8.50 . . . . . . . . . . . 4412 2 9 . 2 2 2 2 DC H42 H 1 6.64 . . . . . . . . . . . 4412 2 10 . 2 2 2 2 DC H5 H 1 5.35 . . . . . . . . . . . 4412 2 11 . 2 2 2 2 DC H6 H 1 7.40 . . . . . . . . . . . 4412 2 12 . 2 2 2 2 DC H1' H 1 5.82 . . . . . . . . . . . 4412 2 13 . 2 2 2 2 DC H2' H 1 2.10 . . . . . . . . . . . 4412 2 14 . 2 2 2 2 DC H2'' H 1 2.48 . . . . . . . . . . . 4412 2 15 . 2 2 2 2 DC H3' H 1 4.92 . . . . . . . . . . . 4412 2 16 . 2 2 2 2 DC H4' H 1 4.31 . . . . . . . . . . . 4412 2 17 . 2 2 3 3 DG H1 H 1 13.00 . . . . . . . . . . . 4412 2 18 . 2 2 3 3 DG H8 H 1 8.01 . . . . . . . . . . . 4412 2 19 . 2 2 3 3 DG H1' H 1 6.06 . . . . . . . . . . . 4412 2 20 . 2 2 3 3 DG H2' H 1 2.71 . . . . . . . . . . . 4412 2 21 . 2 2 3 3 DG H2'' H 1 2.81 . . . . . . . . . . . 4412 2 22 . 2 2 3 3 DG H3' H 1 5.01 . . . . . . . . . . . 4412 2 23 . 2 2 3 3 DG H4' H 1 4.42 . . . . . . . . . . . 4412 2 24 . 2 2 4 4 DT H3 H 1 14.16 . . . . . . . . . . . 4412 2 25 . 2 2 4 4 DT H6 H 1 7.34 . . . . . . . . . . . 4412 2 26 . 2 2 4 4 DT H71 H 1 1.59 . . . . . . . . . . . 4412 2 27 . 2 2 4 4 DT H72 H 1 1.59 . . . . . . . . . . . 4412 2 28 . 2 2 4 4 DT H73 H 1 1.59 . . . . . . . . . . . 4412 2 29 . 2 2 4 4 DT H1' H 1 6.05 . . . . . . . . . . . 4412 2 30 . 2 2 4 4 DT H2' H 1 2.21 . . . . . . . . . . . 4412 2 31 . 2 2 4 4 DT H2'' H 1 2.53 . . . . . . . . . . . 4412 2 32 . 2 2 4 4 DT H3' H 1 4.85 . . . . . . . . . . . 4412 2 33 . 2 2 4 4 DT H4' H 1 4.31 . . . . . . . . . . . 4412 2 34 . 2 2 5 5 DT H3 H 1 9.77 . . . . . . . . . . . 4412 2 35 . 2 2 5 5 DT H6 H 1 1.61 . . . . . . . . . . . 4412 2 36 . 2 2 5 5 DT H71 H 1 7.20 . . . . . . . . . . . 4412 2 37 . 2 2 5 5 DT H72 H 1 7.20 . . . . . . . . . . . 4412 2 38 . 2 2 5 5 DT H73 H 1 7.20 . . . . . . . . . . . 4412 2 39 . 2 2 5 5 DT H1' H 1 5.72 . . . . . . . . . . . 4412 2 40 . 2 2 5 5 DT H2' H 1 1.80 . . . . . . . . . . . 4412 2 41 . 2 2 5 5 DT H2'' H 1 2.12 . . . . . . . . . . . 4412 2 42 . 2 2 5 5 DT H3' H 1 4.87 . . . . . . . . . . . 4412 2 43 . 2 2 5 5 DT H4' H 1 4.05 . . . . . . . . . . . 4412 2 44 . 2 2 6 6 DA H2 H 1 7.72 . . . . . . . . . . . 4412 2 45 . 2 2 6 6 DA H8 H 1 8.34 . . . . . . . . . . . 4412 2 46 . 2 2 6 6 DA H1' H 1 6.19 . . . . . . . . . . . 4412 2 47 . 2 2 6 6 DA H2' H 1 2.75 . . . . . . . . . . . 4412 2 48 . 2 2 6 6 DA H2'' H 1 2.86 . . . . . . . . . . . 4412 2 49 . 2 2 6 6 DA H3' H 1 5.00 . . . . . . . . . . . 4412 2 50 . 2 2 6 6 DA H4' H 1 4.37 . . . . . . . . . . . 4412 2 51 . 2 2 7 7 DT H3 H 1 13.69 . . . . . . . . . . . 4412 2 52 . 2 2 7 7 DT H6 H 1 7.23 . . . . . . . . . . . 4412 2 53 . 2 2 7 7 DT H71 H 1 1.50 . . . . . . . . . . . 4412 2 54 . 2 2 7 7 DT H72 H 1 1.50 . . . . . . . . . . . 4412 2 55 . 2 2 7 7 DT H73 H 1 1.50 . . . . . . . . . . . 4412 2 56 . 2 2 7 7 DT H1' H 1 5.65 . . . . . . . . . . . 4412 2 57 . 2 2 7 7 DT H2' H 1 2.10 . . . . . . . . . . . 4412 2 58 . 2 2 7 7 DT H2'' H 1 2.41 . . . . . . . . . . . 4412 2 59 . 2 2 7 7 DT H3' H 1 4.87 . . . . . . . . . . . 4412 2 60 . 2 2 7 7 DT H4' H 1 4.17 . . . . . . . . . . . 4412 2 61 . 2 2 8 8 DG H1 H 1 12.78 . . . . . . . . . . . 4412 2 62 . 2 2 8 8 DG H8 H 1 7.92 . . . . . . . . . . . 4412 2 63 . 2 2 8 8 DG H1' H 1 5.91 . . . . . . . . . . . 4412 2 64 . 2 2 8 8 DG H2' H 1 2.65 . . . . . . . . . . . 4412 2 65 . 2 2 8 8 DG H2'' H 1 2.71 . . . . . . . . . . . 4412 2 66 . 2 2 8 8 DG H3' H 1 5.00 . . . . . . . . . . . 4412 2 67 . 2 2 8 8 DG H4' H 1 4.41 . . . . . . . . . . . 4412 2 68 . 2 2 9 9 DC H41 H 1 8.50 . . . . . . . . . . . 4412 2 69 . 2 2 9 9 DC H42 H 1 6.73 . . . . . . . . . . . 4412 2 70 . 2 2 9 9 DC H5 H 1 5.45 . . . . . . . . . . . 4412 2 71 . 2 2 9 9 DC H6 H 1 7.40 . . . . . . . . . . . 4412 2 72 . 2 2 9 9 DC H1' H 1 5.78 . . . . . . . . . . . 4412 2 73 . 2 2 9 9 DC H2' H 1 1.96 . . . . . . . . . . . 4412 2 74 . 2 2 9 9 DC H2'' H 1 2.37 . . . . . . . . . . . 4412 2 75 . 2 2 9 9 DC H3' H 1 4.86 . . . . . . . . . . . 4412 2 76 . 2 2 9 9 DC H4' H 1 4.21 . . . . . . . . . . . 4412 2 77 . 2 2 10 10 DG H1 H 1 13.22 . . . . . . . . . . . 4412 2 78 . 2 2 10 10 DG H8 H 1 7.98 . . . . . . . . . . . 4412 2 79 . 2 2 10 10 DG H1' H 1 6.18 . . . . . . . . . . . 4412 2 80 . 2 2 10 10 DG H2' H 1 2.39 . . . . . . . . . . . 4412 2 81 . 2 2 10 10 DG H2'' H 1 2.39 . . . . . . . . . . . 4412 2 82 . 2 2 10 10 DG H3' H 1 4.72 . . . . . . . . . . . 4412 2 83 . 2 2 10 10 DG H4' H 1 4.21 . . . . . . . . . . . 4412 2 stop_ save_