################################### # 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 53691 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20C_H2O _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-13C HMBC' . . . 53691 1 2 '2D 1H-1H NOESY' . . . 53691 1 3 '2D 1H-31P COSY' . . . 53691 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 . . 53691 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 DG H1 H 1 12.078 0.01 . 1 . . . . . 1 DG H1 . 53691 1 2 . 1 . 1 1 1 DG H1' H 1 5.958 0.01 . 1 . . . . . 1 DG H1' . 53691 1 3 . 1 . 1 1 1 DG H2' H 1 2.930 0.01 . 1 . . . . . 1 DG H2' . 53691 1 4 . 1 . 1 1 1 DG H2'' H 1 3.035 0.01 . 1 . . . . . 1 DG H2'' . 53691 1 5 . 1 . 1 1 1 DG H3' H 1 5.016 0.01 . 1 . . . . . 1 DG H3' . 53691 1 6 . 1 . 1 1 1 DG H4' H 1 4.391 0.01 . 1 . . . . . 1 DG H4' . 53691 1 7 . 1 . 1 1 1 DG H5' H 1 4.026 0.01 . 2 . . . . . 1 DG H5' . 53691 1 8 . 1 . 1 1 1 DG H5'' H 1 3.939 0.01 . 2 . . . . . 1 DG H5'' . 53691 1 9 . 1 . 1 1 1 DG H8 H 1 7.503 0.01 . 1 . . . . . 1 DG H8 . 53691 1 10 . 1 . 1 1 1 DG C5 C 13 115.747 0.20 . 1 . . . . . 1 DG C5 . 53691 1 11 . 1 . 1 2 2 DG H1 H 1 12.055 0.01 . 1 . . . . . 2 DG H1 . 53691 1 12 . 1 . 1 2 2 DG H1' H 1 6.017 0.01 . 1 . . . . . 2 DG H1' . 53691 1 13 . 1 . 1 2 2 DG H2' H 1 2.696 0.01 . 1 . . . . . 2 DG H2' . 53691 1 14 . 1 . 1 2 2 DG H2'' H 1 2.462 0.01 . 1 . . . . . 2 DG H2'' . 53691 1 15 . 1 . 1 2 2 DG H3' H 1 5.098 0.01 . 1 . . . . . 2 DG H3' . 53691 1 16 . 1 . 1 2 2 DG H4' H 1 4.408 0.01 . 1 . . . . . 2 DG H4' . 53691 1 17 . 1 . 1 2 2 DG H5' H 1 4.290 0.01 . 2 . . . . . 2 DG H5' . 53691 1 18 . 1 . 1 2 2 DG H5'' H 1 4.250 0.01 . 2 . . . . . 2 DG H5'' . 53691 1 19 . 1 . 1 2 2 DG H8 H 1 8.039 0.01 . 1 . . . . . 2 DG H8 . 53691 1 20 . 1 . 1 2 2 DG C5 C 13 114.835 0.20 . 1 . . . . . 2 DG C5 . 53691 1 21 . 1 . 1 2 2 DG P P 31 -4.287 0.05 . 1 . . . . . 2 DG P . 53691 1 22 . 1 . 1 3 3 DT H1' H 1 6.374 0.01 . 1 . . . . . 3 DT H1' . 53691 1 23 . 1 . 1 3 3 DT H2' H 1 2.375 0.01 . 1 . . . . . 3 DT H2' . 53691 1 24 . 1 . 1 3 3 DT H2'' H 1 2.619 0.01 . 1 . . . . . 3 DT H2'' . 53691 1 25 . 1 . 1 3 3 DT H3' H 1 4.864 0.01 . 1 . . . . . 3 DT H3' . 53691 1 26 . 1 . 1 3 3 DT H4' H 1 4.419 0.01 . 1 . . . . . 3 DT H4' . 53691 1 27 . 1 . 1 3 3 DT H5' H 1 4.238 0.01 . 2 . . . . . 3 DT H5' . 53691 1 28 . 1 . 1 3 3 DT H5'' H 1 4.192 0.01 . 2 . . . . . 3 DT H5'' . 53691 1 29 . 1 . 1 3 3 DT H6 H 1 7.876 0.01 . 1 . . . . . 3 DT H6 . 53691 1 30 . 1 . 1 3 3 DT P P 31 -3.705 0.05 . 1 . . . . . 3 DT P . 53691 1 31 . 1 . 1 4 4 DT H1' H 1 5.983 0.01 . 1 . . . . . 4 DT H1' . 53691 1 32 . 1 . 1 4 4 DT H2' H 1 2.008 0.01 . 1 . . . . . 4 DT H2' . 53691 1 33 . 1 . 1 4 4 DT H2'' H 1 2.328 0.01 . 1 . . . . . 4 DT H2'' . 53691 1 34 . 1 . 1 4 4 DT H3' H 1 4.730 0.01 . 1 . . . . . 4 DT H3' . 53691 1 35 . 1 . 1 4 4 DT H4' H 1 4.075 0.01 . 1 . . . . . 4 DT H4' . 53691 1 36 . 1 . 1 4 4 DT H5' H 1 4.117 0.01 . 2 . . . . . 4 DT H5' . 53691 1 37 . 1 . 1 4 4 DT H6 H 1 7.367 0.01 . 1 . . . . . 4 DT H6 . 53691 1 38 . 1 . 1 4 4 DT P P 31 -4.359 0.05 . 1 . . . . . 4 DT P . 53691 1 39 . 1 . 1 5 5 DT H1' H 1 6.014 0.01 . 1 . . . . . 5 DT H1' . 53691 1 40 . 1 . 1 5 5 DT H2' H 1 2.039 0.01 . 1 . . . . . 5 DT H2' . 53691 1 41 . 1 . 1 5 5 DT H2'' H 1 2.373 0.01 . 1 . . . . . 5 DT H2'' . 53691 1 42 . 1 . 1 5 5 DT H3' H 1 4.685 0.01 . 1 . . . . . 5 DT H3' . 53691 1 43 . 1 . 1 5 5 DT H4' H 1 3.873 0.01 . 1 . . . . . 5 DT H4' . 53691 1 44 . 1 . 1 5 5 DT H5' H 1 3.561 0.01 . 2 . . . . . 5 DT H5' . 53691 1 45 . 1 . 1 5 5 DT H5'' H 1 3.132 0.01 . 2 . . . . . 5 DT H5'' . 53691 1 46 . 1 . 1 5 5 DT H6 H 1 7.349 0.01 . 1 . . . . . 5 DT H6 . 53691 1 47 . 1 . 1 5 5 DT P P 31 -3.672 0.05 . 1 . . . . . 5 DT P . 53691 1 48 . 1 . 1 6 6 DG H1 H 1 12.108 0.01 . 1 . . . . . 6 DG H1 . 53691 1 49 . 1 . 1 6 6 DG H1' H 1 6.052 0.01 . 1 . . . . . 6 DG H1' . 53691 1 50 . 1 . 1 6 6 DG H2' H 1 3.418 0.01 . 1 . . . . . 6 DG H2' . 53691 1 51 . 1 . 1 6 6 DG H2'' H 1 2.763 0.01 . 1 . . . . . 6 DG H2'' . 53691 1 52 . 1 . 1 6 6 DG H3' H 1 4.875 0.01 . 1 . . . . . 6 DG H3' . 53691 1 53 . 1 . 1 6 6 DG H4' H 1 4.421 0.01 . 1 . . . . . 6 DG H4' . 53691 1 54 . 1 . 1 6 6 DG H5' H 1 4.366 0.01 . 2 . . . . . 6 DG H5' . 53691 1 55 . 1 . 1 6 6 DG H5'' H 1 4.149 0.01 . 2 . . . . . 6 DG H5'' . 53691 1 56 . 1 . 1 6 6 DG H8 H 1 7.501 0.01 . 1 . . . . . 6 DG H8 . 53691 1 57 . 1 . 1 6 6 DG C5 C 13 117.130 0.20 . 1 . . . . . 6 DG C5 . 53691 1 58 . 1 . 1 6 6 DG P P 31 -4.395 0.05 . 1 . . . . . 6 DG P . 53691 1 59 . 1 . 1 7 7 DG H1 H 1 11.889 0.01 . 1 . . . . . 7 DG H1 . 53691 1 60 . 1 . 1 7 7 DG H1' H 1 6.043 0.01 . 1 . . . . . 7 DG H1' . 53691 1 61 . 1 . 1 7 7 DG H2' H 1 2.630 0.01 . 1 . . . . . 7 DG H2' . 53691 1 62 . 1 . 1 7 7 DG H2'' H 1 2.688 0.01 . 1 . . . . . 7 DG H2'' . 53691 1 63 . 1 . 1 7 7 DG H3' H 1 5.017 0.01 . 1 . . . . . 7 DG H3' . 53691 1 64 . 1 . 1 7 7 DG H4' H 1 4.531 0.01 . 1 . . . . . 7 DG H4' . 53691 1 65 . 1 . 1 7 7 DG H5' H 1 4.233 0.01 . 2 . . . . . 7 DG H5' . 53691 1 66 . 1 . 1 7 7 DG H8 H 1 8.020 0.01 . 1 . . . . . 7 DG H8 . 53691 1 67 . 1 . 1 7 7 DG C5 C 13 114.138 0.20 . 1 . . . . . 7 DG C5 . 53691 1 68 . 1 . 1 7 7 DG P P 31 -4.347 0.05 . 1 . . . . . 7 DG P . 53691 1 69 . 1 . 1 8 8 DT H1' H 1 5.657 0.01 . 1 . . . . . 8 DT H1' . 53691 1 70 . 1 . 1 8 8 DT H2' H 1 1.451 0.01 . 1 . . . . . 8 DT H2' . 53691 1 71 . 1 . 1 8 8 DT H2'' H 1 2.298 0.01 . 1 . . . . . 8 DT H2'' . 53691 1 72 . 1 . 1 8 8 DT H3' H 1 4.607 0.01 . 1 . . . . . 8 DT H3' . 53691 1 73 . 1 . 1 8 8 DT H4' H 1 4.067 0.01 . 1 . . . . . 8 DT H4' . 53691 1 74 . 1 . 1 8 8 DT H5' H 1 4.442 0.01 . 2 . . . . . 8 DT H5' . 53691 1 75 . 1 . 1 8 8 DT H6 H 1 7.073 0.01 . 1 . . . . . 8 DT H6 . 53691 1 76 . 1 . 1 8 8 DT P P 31 -4.807 0.05 . 1 . . . . . 8 DT P . 53691 1 77 . 1 . 1 9 9 DT H1' H 1 5.571 0.01 . 1 . . . . . 9 DT H1' . 53691 1 78 . 1 . 1 9 9 DT H2' H 1 2.084 0.01 . 1 . . . . . 9 DT H2' . 53691 1 79 . 1 . 1 9 9 DT H2'' H 1 1.986 0.01 . 1 . . . . . 9 DT H2'' . 53691 1 80 . 1 . 1 9 9 DT H3' H 1 4.602 0.01 . 1 . . . . . 9 DT H3' . 53691 1 81 . 1 . 1 9 9 DT H4' H 1 3.558 0.01 . 1 . . . . . 9 DT H4' . 53691 1 82 . 1 . 1 9 9 DT H5' H 1 3.661 0.01 . 2 . . . . . 9 DT H5' . 53691 1 83 . 1 . 1 9 9 DT H5'' H 1 3.607 0.01 . 2 . . . . . 9 DT H5'' . 53691 1 84 . 1 . 1 9 9 DT H6 H 1 7.317 0.01 . 1 . . . . . 9 DT H6 . 53691 1 85 . 1 . 1 9 9 DT P P 31 -4.443 0.05 . 1 . . . . . 9 DT P . 53691 1 86 . 1 . 1 10 10 DT H1' H 1 5.441 0.01 . 1 . . . . . 10 DT H1' . 53691 1 87 . 1 . 1 10 10 DT H2' H 1 1.807 0.01 . 1 . . . . . 10 DT H2' . 53691 1 88 . 1 . 1 10 10 DT H2'' H 1 2.397 0.01 . 1 . . . . . 10 DT H2'' . 53691 1 89 . 1 . 1 10 10 DT H3' H 1 4.765 0.01 . 1 . . . . . 10 DT H3' . 53691 1 90 . 1 . 1 10 10 DT H4' H 1 4.498 0.01 . 1 . . . . . 10 DT H4' . 53691 1 91 . 1 . 1 10 10 DT H5' H 1 4.044 0.01 . 2 . . . . . 10 DT H5' . 53691 1 92 . 1 . 1 10 10 DT H6 H 1 7.233 0.01 . 1 . . . . . 10 DT H6 . 53691 1 93 . 1 . 1 10 10 DT P P 31 -4.058 0.05 . 1 . . . . . 10 DT P . 53691 1 94 . 1 . 1 11 11 DT H1' H 1 6.265 0.01 . 1 . . . . . 11 DT H1' . 53691 1 95 . 1 . 1 11 11 DT H2' H 1 2.140 0.01 . 1 . . . . . 11 DT H2' . 53691 1 96 . 1 . 1 11 11 DT H2'' H 1 2.460 0.01 . 1 . . . . . 11 DT H2'' . 53691 1 97 . 1 . 1 11 11 DT H3' H 1 4.549 0.01 . 1 . . . . . 11 DT H3' . 53691 1 98 . 1 . 1 11 11 DT H4' H 1 3.091 0.01 . 1 . . . . . 11 DT H4' . 53691 1 99 . 1 . 1 11 11 DT H5' H 1 2.973 0.01 . 2 . . . . . 11 DT H5' . 53691 1 100 . 1 . 1 11 11 DT H5'' H 1 2.935 0.01 . 2 . . . . . 11 DT H5'' . 53691 1 101 . 1 . 1 11 11 DT H6 H 1 7.605 0.01 . 1 . . . . . 11 DT H6 . 53691 1 102 . 1 . 1 11 11 DT P P 31 -5.747 0.05 . 1 . . . . . 11 DT P . 53691 1 103 . 1 . 1 12 12 DG H1 H 1 12.012 0.01 . 1 . . . . . 12 DG H1 . 53691 1 104 . 1 . 1 12 12 DG H1' H 1 6.128 0.01 . 1 . . . . . 12 DG H1' . 53691 1 105 . 1 . 1 12 12 DG H2' H 1 3.506 0.01 . 1 . . . . . 12 DG H2' . 53691 1 106 . 1 . 1 12 12 DG H2'' H 1 2.929 0.01 . 1 . . . . . 12 DG H2'' . 53691 1 107 . 1 . 1 12 12 DG H3' H 1 4.954 0.01 . 1 . . . . . 12 DG H3' . 53691 1 108 . 1 . 1 12 12 DG H4' H 1 4.486 0.01 . 1 . . . . . 12 DG H4' . 53691 1 109 . 1 . 1 12 12 DG H5' H 1 4.152 0.01 . 2 . . . . . 12 DG H5' . 53691 1 110 . 1 . 1 12 12 DG H8 H 1 7.624 0.01 . 1 . . . . . 12 DG H8 . 53691 1 111 . 1 . 1 12 12 DG C5 C 13 115.472 0.20 . 1 . . . . . 12 DG C5 . 53691 1 112 . 1 . 1 12 12 DG P P 31 -4.715 0.05 . 1 . . . . . 12 DG P . 53691 1 113 . 1 . 1 13 13 DG H1 H 1 11.840 0.01 . 1 . . . . . 13 DG H1 . 53691 1 114 . 1 . 1 13 13 DG H1' H 1 6.115 0.01 . 1 . . . . . 13 DG H1' . 53691 1 115 . 1 . 1 13 13 DG H2' H 1 2.572 0.01 . 1 . . . . . 13 DG H2' . 53691 1 116 . 1 . 1 13 13 DG H2'' H 1 2.368 0.01 . 1 . . . . . 13 DG H2'' . 53691 1 117 . 1 . 1 13 13 DG H3' H 1 5.096 0.01 . 1 . . . . . 13 DG H3' . 53691 1 118 . 1 . 1 13 13 DG H4' H 1 4.496 0.01 . 1 . . . . . 13 DG H4' . 53691 1 119 . 1 . 1 13 13 DG H5' H 1 4.296 0.01 . 2 . . . . . 13 DG H5' . 53691 1 120 . 1 . 1 13 13 DG H8 H 1 8.068 0.01 . 1 . . . . . 13 DG H8 . 53691 1 121 . 1 . 1 13 13 DG C5 C 13 114.922 0.20 . 1 . . . . . 13 DG C5 . 53691 1 122 . 1 . 1 13 13 DG P P 31 -4.680 0.05 . 1 . . . . . 13 DG P . 53691 1 123 . 1 . 1 14 14 DT H1' H 1 6.315 0.01 . 1 . . . . . 14 DT H1' . 53691 1 124 . 1 . 1 14 14 DT H2' H 1 2.314 0.01 . 1 . . . . . 14 DT H2' . 53691 1 125 . 1 . 1 14 14 DT H2'' H 1 2.500 0.01 . 1 . . . . . 14 DT H2'' . 53691 1 126 . 1 . 1 14 14 DT H3' H 1 4.939 0.01 . 1 . . . . . 14 DT H3' . 53691 1 127 . 1 . 1 14 14 DT H4' H 1 4.392 0.01 . 1 . . . . . 14 DT H4' . 53691 1 128 . 1 . 1 14 14 DT H5' H 1 4.198 0.01 . 2 . . . . . 14 DT H5' . 53691 1 129 . 1 . 1 14 14 DT H5'' H 1 4.162 0.01 . 2 . . . . . 14 DT H5'' . 53691 1 130 . 1 . 1 14 14 DT H6 H 1 7.806 0.01 . 1 . . . . . 14 DT H6 . 53691 1 131 . 1 . 1 14 14 DT P P 31 -3.878 0.05 . 1 . . . . . 14 DT P . 53691 1 132 . 1 . 1 15 15 DT H1' H 1 6.037 0.01 . 1 . . . . . 15 DT H1' . 53691 1 133 . 1 . 1 15 15 DT H2' H 1 2.433 0.01 . 1 . . . . . 15 DT H2' . 53691 1 134 . 1 . 1 15 15 DT H2'' H 1 2.525 0.01 . 1 . . . . . 15 DT H2'' . 53691 1 135 . 1 . 1 15 15 DT H3' H 1 4.937 0.01 . 1 . . . . . 15 DT H3' . 53691 1 136 . 1 . 1 15 15 DT H4' H 1 4.193 0.01 . 1 . . . . . 15 DT H4' . 53691 1 137 . 1 . 1 15 15 DT H6 H 1 7.410 0.01 . 1 . . . . . 15 DT H6 . 53691 1 138 . 1 . 1 15 15 DT P P 31 -4.170 0.05 . 1 . . . . . 15 DT P . 53691 1 139 . 1 . 1 16 16 DT H1' H 1 6.077 0.01 . 1 . . . . . 16 DT H1' . 53691 1 140 . 1 . 1 16 16 DT H2' H 1 2.009 0.01 . 1 . . . . . 16 DT H2' . 53691 1 141 . 1 . 1 16 16 DT H2'' H 1 2.429 0.01 . 1 . . . . . 16 DT H2'' . 53691 1 142 . 1 . 1 16 16 DT H3' H 1 4.880 0.01 . 1 . . . . . 16 DT H3' . 53691 1 143 . 1 . 1 16 16 DT H4' H 1 4.223 0.01 . 1 . . . . . 16 DT H4' . 53691 1 144 . 1 . 1 16 16 DT H5' H 1 3.984 0.01 . 2 . . . . . 16 DT H5' . 53691 1 145 . 1 . 1 16 16 DT H6 H 1 7.393 0.01 . 1 . . . . . 16 DT H6 . 53691 1 146 . 1 . 1 16 16 DT P P 31 -3.959 0.05 . 1 . . . . . 16 DT P . 53691 1 147 . 1 . 1 17 17 DT H1' H 1 6.304 0.01 . 1 . . . . . 17 DT H1' . 53691 1 148 . 1 . 1 17 17 DT H2' H 1 2.299 0.01 . 1 . . . . . 17 DT H2' . 53691 1 149 . 1 . 1 17 17 DT H2'' H 1 2.453 0.01 . 1 . . . . . 17 DT H2'' . 53691 1 150 . 1 . 1 17 17 DT H3' H 1 4.842 0.01 . 1 . . . . . 17 DT H3' . 53691 1 151 . 1 . 1 17 17 DT H4' H 1 4.358 0.01 . 1 . . . . . 17 DT H4' . 53691 1 152 . 1 . 1 17 17 DT H6 H 1 7.721 0.01 . 1 . . . . . 17 DT H6 . 53691 1 153 . 1 . 1 17 17 DT P P 31 -3.936 0.05 . 1 . . . . . 17 DT P . 53691 1 154 . 1 . 1 18 18 DG H1 H 1 11.630 0.01 . 1 . . . . . 18 DG H1 . 53691 1 155 . 1 . 1 18 18 DG H1' H 1 6.091 0.01 . 1 . . . . . 18 DG H1' . 53691 1 156 . 1 . 1 18 18 DG H2' H 1 3.562 0.01 . 1 . . . . . 18 DG H2' . 53691 1 157 . 1 . 1 18 18 DG H2'' H 1 3.010 0.01 . 1 . . . . . 18 DG H2'' . 53691 1 158 . 1 . 1 18 18 DG H3' H 1 5.004 0.01 . 1 . . . . . 18 DG H3' . 53691 1 159 . 1 . 1 18 18 DG H4' H 1 4.475 0.01 . 1 . . . . . 18 DG H4' . 53691 1 160 . 1 . 1 18 18 DG H5' H 1 4.417 0.01 . 2 . . . . . 18 DG H5' . 53691 1 161 . 1 . 1 18 18 DG H5'' H 1 4.285 0.01 . 2 . . . . . 18 DG H5'' . 53691 1 162 . 1 . 1 18 18 DG H8 H 1 7.438 0.01 . 1 . . . . . 18 DG H8 . 53691 1 163 . 1 . 1 18 18 DG C5 C 13 116.675 0.20 . 1 . . . . . 18 DG C5 . 53691 1 164 . 1 . 1 18 18 DG P P 31 -2.828 0.05 . 1 . . . . . 18 DG P . 53691 1 165 . 1 . 1 19 19 DG H1 H 1 11.706 0.01 . 1 . . . . . 19 DG H1 . 53691 1 166 . 1 . 1 19 19 DG H1' H 1 6.273 0.01 . 1 . . . . . 19 DG H1' . 53691 1 167 . 1 . 1 19 19 DG H2' H 1 2.658 0.01 . 1 . . . . . 19 DG H2' . 53691 1 168 . 1 . 1 19 19 DG H2'' H 1 2.426 0.01 . 1 . . . . . 19 DG H2'' . 53691 1 169 . 1 . 1 19 19 DG H3' H 1 4.802 0.01 . 1 . . . . . 19 DG H3' . 53691 1 170 . 1 . 1 19 19 DG H4' H 1 4.284 0.01 . 1 . . . . . 19 DG H4' . 53691 1 171 . 1 . 1 19 19 DG H5' H 1 4.333 0.01 . 2 . . . . . 19 DG H5' . 53691 1 172 . 1 . 1 19 19 DG H5'' H 1 4.222 0.01 . 2 . . . . . 19 DG H5'' . 53691 1 173 . 1 . 1 19 19 DG H8 H 1 8.258 0.01 . 1 . . . . . 19 DG H8 . 53691 1 174 . 1 . 1 19 19 DG C5 C 13 114.588 0.20 . 1 . . . . . 19 DG C5 . 53691 1 175 . 1 . 1 19 19 DG P P 31 -4.264 0.05 . 1 . . . . . 19 DG P . 53691 1 stop_ save_