################################### # 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 53685 _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' . . . 53685 1 2 '2D 1H-1H NOESY' . . . 53685 1 3 '2D 1H-31P COSY' . . . 53685 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 . . 53685 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 12.161 0.01 . 1 . . . . . 1 DG H1 . 53685 1 2 . 1 . 1 1 1 DG H1' H 1 6.072 0.01 . 1 . . . . . 1 DG H1' . 53685 1 3 . 1 . 1 1 1 DG H2' H 1 2.720 0.01 . 1 . . . . . 1 DG H2' . 53685 1 4 . 1 . 1 1 1 DG H2'' H 1 2.959 0.01 . 1 . . . . . 1 DG H2'' . 53685 1 5 . 1 . 1 1 1 DG H3' H 1 5.028 0.01 . 1 . . . . . 1 DG H3' . 53685 1 6 . 1 . 1 1 1 DG H4' H 1 4.409 0.01 . 1 . . . . . 1 DG H4' . 53685 1 7 . 1 . 1 1 1 DG H5' H 1 4.248 0.01 . 2 . . . . . 1 DG H5' . 53685 1 8 . 1 . 1 1 1 DG H5'' H 1 3.974 0.01 . 2 . . . . . 1 DG H5'' . 53685 1 9 . 1 . 1 1 1 DG H8 H 1 7.435 0.01 . 1 . . . . . 1 DG H8 . 53685 1 10 . 1 . 1 1 1 DG C5 C 13 117.160 0.20 . 1 . . . . . 1 DG C5 . 53685 1 11 . 1 . 1 2 2 DG H1 H 1 12.168 0.01 . 1 . . . . . 2 DG H1 . 53685 1 12 . 1 . 1 2 2 DG H1' H 1 5.938 0.01 . 1 . . . . . 2 DG H1' . 53685 1 13 . 1 . 1 2 2 DG H2' H 1 2.789 0.01 . 1 . . . . . 2 DG H2' . 53685 1 14 . 1 . 1 2 2 DG H2'' H 1 2.330 0.01 . 1 . . . . . 2 DG H2'' . 53685 1 15 . 1 . 1 2 2 DG H3' H 1 5.226 0.01 . 1 . . . . . 2 DG H3' . 53685 1 16 . 1 . 1 2 2 DG H4' H 1 4.485 0.01 . 1 . . . . . 2 DG H4' . 53685 1 17 . 1 . 1 2 2 DG H5' H 1 4.258 0.01 . 2 . . . . . 2 DG H5' . 53685 1 18 . 1 . 1 2 2 DG H8 H 1 8.126 0.01 . 1 . . . . . 2 DG H8 . 53685 1 19 . 1 . 1 2 2 DG C5 C 13 115.042 0.20 . 1 . . . . . 2 DG C5 . 53685 1 20 . 1 . 1 2 2 DG P P 31 -4.334 0.05 . 1 . . . . . 2 DG P . 53685 1 21 . 1 . 1 3 3 DT H1' H 1 6.353 0.01 . 1 . . . . . 3 DT H1' . 53685 1 22 . 1 . 1 3 3 DT H2' H 1 2.030 0.01 . 1 . . . . . 3 DT H2' . 53685 1 23 . 1 . 1 3 3 DT H2'' H 1 2.372 0.01 . 1 . . . . . 3 DT H2'' . 53685 1 24 . 1 . 1 3 3 DT H3' H 1 4.947 0.01 . 1 . . . . . 3 DT H3' . 53685 1 25 . 1 . 1 3 3 DT H4' H 1 4.507 0.01 . 1 . . . . . 3 DT H4' . 53685 1 26 . 1 . 1 3 3 DT H5' H 1 4.265 0.01 . 2 . . . . . 3 DT H5' . 53685 1 27 . 1 . 1 3 3 DT H5'' H 1 4.159 0.01 . 2 . . . . . 3 DT H5'' . 53685 1 28 . 1 . 1 3 3 DT H6 H 1 7.990 0.01 . 1 . . . . . 3 DT H6 . 53685 1 29 . 1 . 1 3 3 DT H71 H 1 2.150 0.01 . 3 . . . . . 3 DT H71 . 53685 1 30 . 1 . 1 3 3 DT H72 H 1 2.150 0.01 . 3 . . . . . 3 DT H72 . 53685 1 31 . 1 . 1 3 3 DT H73 H 1 2.150 0.01 . 3 . . . . . 3 DT H73 . 53685 1 32 . 1 . 1 3 3 DT P P 31 -3.153 0.05 . 1 . . . . . 3 DT P . 53685 1 33 . 1 . 1 4 4 DT H1' H 1 6.023 0.01 . 1 . . . . . 4 DT H1' . 53685 1 34 . 1 . 1 4 4 DT H2' H 1 1.890 0.01 . 1 . . . . . 4 DT H2' . 53685 1 35 . 1 . 1 4 4 DT H2'' H 1 2.413 0.01 . 1 . . . . . 4 DT H2'' . 53685 1 36 . 1 . 1 4 4 DT H3' H 1 4.851 0.01 . 1 . . . . . 4 DT H3' . 53685 1 37 . 1 . 1 4 4 DT H4' H 1 4.310 0.01 . 1 . . . . . 4 DT H4' . 53685 1 38 . 1 . 1 4 4 DT H5' H 1 4.078 0.01 . 2 . . . . . 4 DT H5' . 53685 1 39 . 1 . 1 4 4 DT H6 H 1 7.562 0.01 . 1 . . . . . 4 DT H6 . 53685 1 40 . 1 . 1 4 4 DT H71 H 1 1.729 0.01 . 3 . . . . . 4 DT H71 . 53685 1 41 . 1 . 1 4 4 DT H72 H 1 1.729 0.01 . 3 . . . . . 4 DT H72 . 53685 1 42 . 1 . 1 4 4 DT H73 H 1 1.729 0.01 . 3 . . . . . 4 DT H73 . 53685 1 43 . 1 . 1 4 4 DT P P 31 -3.867 0.05 . 1 . . . . . 4 DT P . 53685 1 44 . 1 . 1 5 5 DT H1' H 1 6.087 0.01 . 1 . . . . . 5 DT H1' . 53685 1 45 . 1 . 1 5 5 DT H2' H 1 2.391 0.01 . 1 . . . . . 5 DT H2' . 53685 1 46 . 1 . 1 5 5 DT H2'' H 1 2.531 0.01 . 1 . . . . . 5 DT H2'' . 53685 1 47 . 1 . 1 5 5 DT H3' H 1 4.946 0.01 . 1 . . . . . 5 DT H3' . 53685 1 48 . 1 . 1 5 5 DT H4' H 1 4.237 0.01 . 1 . . . . . 5 DT H4' . 53685 1 49 . 1 . 1 5 5 DT H5' H 1 4.067 0.01 . 2 . . . . . 5 DT H5' . 53685 1 50 . 1 . 1 5 5 DT H5'' H 1 3.990 0.01 . 2 . . . . . 5 DT H5'' . 53685 1 51 . 1 . 1 5 5 DT H6 H 1 7.381 0.01 . 1 . . . . . 5 DT H6 . 53685 1 52 . 1 . 1 5 5 DT H71 H 1 1.116 0.01 . 3 . . . . . 5 DT H71 . 53685 1 53 . 1 . 1 5 5 DT H72 H 1 1.116 0.01 . 3 . . . . . 5 DT H72 . 53685 1 54 . 1 . 1 5 5 DT H73 H 1 1.116 0.01 . 3 . . . . . 5 DT H73 . 53685 1 55 . 1 . 1 5 5 DT P P 31 -4.088 0.05 . 1 . . . . . 5 DT P . 53685 1 56 . 1 . 1 6 6 DG H1 H 1 12.259 0.01 . 1 . . . . . 6 DG H1 . 53685 1 57 . 1 . 1 6 6 DG H1' H 1 6.042 0.01 . 1 . . . . . 6 DG H1' . 53685 1 58 . 1 . 1 6 6 DG H2' H 1 3.413 0.01 . 1 . . . . . 6 DG H2' . 53685 1 59 . 1 . 1 6 6 DG H2'' H 1 2.845 0.01 . 1 . . . . . 6 DG H2'' . 53685 1 60 . 1 . 1 6 6 DG H3' H 1 4.963 0.01 . 1 . . . . . 6 DG H3' . 53685 1 61 . 1 . 1 6 6 DG H4' H 1 4.451 0.01 . 1 . . . . . 6 DG H4' . 53685 1 62 . 1 . 1 6 6 DG H5' H 1 4.300 0.01 . 2 . . . . . 6 DG H5' . 53685 1 63 . 1 . 1 6 6 DG H8 H 1 7.490 0.01 . 1 . . . . . 6 DG H8 . 53685 1 64 . 1 . 1 6 6 DG C5 C 13 116.815 0.20 . 1 . . . . . 6 DG C5 . 53685 1 65 . 1 . 1 6 6 DG P P 31 -3.487 0.05 . 1 . . . . . 6 DG P . 53685 1 66 . 1 . 1 7 7 DG H1 H 1 12.276 0.01 . 1 . . . . . 7 DG H1 . 53685 1 67 . 1 . 1 7 7 DG H1' H 1 6.052 0.01 . 1 . . . . . 7 DG H1' . 53685 1 68 . 1 . 1 7 7 DG H2' H 1 2.683 0.01 . 1 . . . . . 7 DG H2' . 53685 1 69 . 1 . 1 7 7 DG H2'' H 1 2.344 0.01 . 1 . . . . . 7 DG H2'' . 53685 1 70 . 1 . 1 7 7 DG H3' H 1 5.089 0.01 . 1 . . . . . 7 DG H3' . 53685 1 71 . 1 . 1 7 7 DG H4' H 1 4.492 0.01 . 1 . . . . . 7 DG H4' . 53685 1 72 . 1 . 1 7 7 DG H5' H 1 4.292 0.01 . 2 . . . . . 7 DG H5' . 53685 1 73 . 1 . 1 7 7 DG H5'' H 1 4.235 0.01 . 2 . . . . . 7 DG H5'' . 53685 1 74 . 1 . 1 7 7 DG H8 H 1 7.924 0.01 . 1 . . . . . 7 DG H8 . 53685 1 75 . 1 . 1 7 7 DG C5 C 13 115.257 0.20 . 1 . . . . . 7 DG C5 . 53685 1 76 . 1 . 1 7 7 DG P P 31 -4.435 0.05 . 1 . . . . . 7 DG P . 53685 1 77 . 1 . 1 8 8 DT H1' H 1 6.438 0.01 . 1 . . . . . 8 DT H1' . 53685 1 78 . 1 . 1 8 8 DT H2' H 1 2.471 0.01 . 1 . . . . . 8 DT H2' . 53685 1 79 . 1 . 1 8 8 DT H2'' H 1 2.630 0.01 . 1 . . . . . 8 DT H2'' . 53685 1 80 . 1 . 1 8 8 DT H3' H 1 4.800 0.01 . 1 . . . . . 8 DT H3' . 53685 1 81 . 1 . 1 8 8 DT H4' H 1 4.405 0.01 . 1 . . . . . 8 DT H4' . 53685 1 82 . 1 . 1 8 8 DT H5' H 1 4.243 0.01 . 2 . . . . . 8 DT H5' . 53685 1 83 . 1 . 1 8 8 DT H5'' H 1 4.243 0.01 . 2 . . . . . 8 DT H5'' . 53685 1 84 . 1 . 1 8 8 DT H6 H 1 7.885 0.01 . 1 . . . . . 8 DT H6 . 53685 1 85 . 1 . 1 8 8 DT H71 H 1 1.967 0.01 . 3 . . . . . 8 DT H71 . 53685 1 86 . 1 . 1 8 8 DT H72 H 1 1.967 0.01 . 3 . . . . . 8 DT H72 . 53685 1 87 . 1 . 1 8 8 DT H73 H 1 1.967 0.01 . 3 . . . . . 8 DT H73 . 53685 1 88 . 1 . 1 8 8 DT P P 31 -3.537 0.05 . 1 . . . . . 8 DT P . 53685 1 89 . 1 . 1 9 9 DT H1' H 1 5.786 0.01 . 1 . . . . . 9 DT H1' . 53685 1 90 . 1 . 1 9 9 DT H2'' H 1 2.092 0.01 . 1 . . . . . 9 DT H2'' . 53685 1 91 . 1 . 1 9 9 DT H3' H 1 4.652 0.01 . 1 . . . . . 9 DT H3' . 53685 1 92 . 1 . 1 9 9 DT H4' H 1 3.772 0.01 . 1 . . . . . 9 DT H4' . 53685 1 93 . 1 . 1 9 9 DT H5' H 1 4.062 0.01 . 2 . . . . . 9 DT H5' . 53685 1 94 . 1 . 1 9 9 DT H5'' H 1 3.963 0.01 . 2 . . . . . 9 DT H5'' . 53685 1 95 . 1 . 1 9 9 DT H6 H 1 7.235 0.01 . 1 . . . . . 9 DT H6 . 53685 1 96 . 1 . 1 9 9 DT H71 H 1 1.821 0.01 . 3 . . . . . 9 DT H71 . 53685 1 97 . 1 . 1 9 9 DT H72 H 1 1.821 0.01 . 3 . . . . . 9 DT H72 . 53685 1 98 . 1 . 1 9 9 DT H73 H 1 1.821 0.01 . 3 . . . . . 9 DT H73 . 53685 1 99 . 1 . 1 9 9 DT P P 31 -4.189 0.05 . 1 . . . . . 9 DT P . 53685 1 100 . 1 . 1 10 10 DT H1' H 1 5.709 0.01 . 1 . . . . . 10 DT H1' . 53685 1 101 . 1 . 1 10 10 DT H2' H 1 2.023 0.01 . 1 . . . . . 10 DT H2' . 53685 1 102 . 1 . 1 10 10 DT H2'' H 1 2.511 0.01 . 1 . . . . . 10 DT H2'' . 53685 1 103 . 1 . 1 10 10 DT H3' H 1 4.636 0.01 . 1 . . . . . 10 DT H3' . 53685 1 104 . 1 . 1 10 10 DT H4' H 1 3.881 0.01 . 1 . . . . . 10 DT H4' . 53685 1 105 . 1 . 1 10 10 DT H5' H 1 3.558 0.01 . 2 . . . . . 10 DT H5' . 53685 1 106 . 1 . 1 10 10 DT H5'' H 1 2.992 0.01 . 2 . . . . . 10 DT H5'' . 53685 1 107 . 1 . 1 10 10 DT H6 H 1 7.231 0.01 . 1 . . . . . 10 DT H6 . 53685 1 108 . 1 . 1 10 10 DT H71 H 1 1.775 0.01 . 3 . . . . . 10 DT H71 . 53685 1 109 . 1 . 1 10 10 DT H72 H 1 1.775 0.01 . 3 . . . . . 10 DT H72 . 53685 1 110 . 1 . 1 10 10 DT H73 H 1 1.775 0.01 . 3 . . . . . 10 DT H73 . 53685 1 111 . 1 . 1 10 10 DT P P 31 -3.862 0.05 . 1 . . . . . 10 DT P . 53685 1 112 . 1 . 1 11 11 DG H1 H 1 11.967 0.01 . 1 . . . . . 11 DG H1 . 53685 1 113 . 1 . 1 11 11 DG H1' H 1 6.057 0.01 . 1 . . . . . 11 DG H1' . 53685 1 114 . 1 . 1 11 11 DG H2' H 1 3.684 0.01 . 1 . . . . . 11 DG H2' . 53685 1 115 . 1 . 1 11 11 DG H2'' H 1 2.879 0.01 . 1 . . . . . 11 DG H2'' . 53685 1 116 . 1 . 1 11 11 DG H3' H 1 4.899 0.01 . 1 . . . . . 11 DG H3' . 53685 1 117 . 1 . 1 11 11 DG H4' H 1 4.441 0.01 . 1 . . . . . 11 DG H4' . 53685 1 118 . 1 . 1 11 11 DG H5' H 1 4.310 0.01 . 2 . . . . . 11 DG H5' . 53685 1 119 . 1 . 1 11 11 DG H5'' H 1 4.168 0.01 . 2 . . . . . 11 DG H5'' . 53685 1 120 . 1 . 1 11 11 DG H8 H 1 7.475 0.01 . 1 . . . . . 11 DG H8 . 53685 1 121 . 1 . 1 11 11 DG C5 C 13 116.518 0.20 . 1 . . . . . 11 DG C5 . 53685 1 122 . 1 . 1 11 11 DG P P 31 -4.693 0.05 . 1 . . . . . 11 DG P . 53685 1 123 . 1 . 1 12 12 DG H1 H 1 12.103 0.01 . 1 . . . . . 12 DG H1 . 53685 1 124 . 1 . 1 12 12 DG H1' H 1 5.916 0.01 . 1 . . . . . 12 DG H1' . 53685 1 125 . 1 . 1 12 12 DG H2' H 1 2.715 0.01 . 1 . . . . . 12 DG H2' . 53685 1 126 . 1 . 1 12 12 DG H2'' H 1 2.307 0.01 . 1 . . . . . 12 DG H2'' . 53685 1 127 . 1 . 1 12 12 DG H3' H 1 5.189 0.01 . 1 . . . . . 12 DG H3' . 53685 1 128 . 1 . 1 12 12 DG H4' H 1 4.458 0.01 . 1 . . . . . 12 DG H4' . 53685 1 129 . 1 . 1 12 12 DG H5' H 1 4.308 0.01 . 2 . . . . . 12 DG H5' . 53685 1 130 . 1 . 1 12 12 DG H5'' H 1 4.259 0.01 . 2 . . . . . 12 DG H5'' . 53685 1 131 . 1 . 1 12 12 DG H8 H 1 8.096 0.01 . 1 . . . . . 12 DG H8 . 53685 1 132 . 1 . 1 12 12 DG C5 C 13 114.936 0.20 . 1 . . . . . 12 DG C5 . 53685 1 133 . 1 . 1 12 12 DG P P 31 -4.488 0.05 . 1 . . . . . 12 DG P . 53685 1 134 . 1 . 1 13 13 DT H1' H 1 6.355 0.01 . 1 . . . . . 13 DT H1' . 53685 1 135 . 1 . 1 13 13 DT H2' H 1 2.030 0.01 . 1 . . . . . 13 DT H2' . 53685 1 136 . 1 . 1 13 13 DT H2'' H 1 2.370 0.01 . 1 . . . . . 13 DT H2'' . 53685 1 137 . 1 . 1 13 13 DT H3' H 1 4.938 0.01 . 1 . . . . . 13 DT H3' . 53685 1 138 . 1 . 1 13 13 DT H4' H 1 4.509 0.01 . 1 . . . . . 13 DT H4' . 53685 1 139 . 1 . 1 13 13 DT H5' H 1 4.266 0.01 . 2 . . . . . 13 DT H5' . 53685 1 140 . 1 . 1 13 13 DT H5'' H 1 4.159 0.01 . 2 . . . . . 13 DT H5'' . 53685 1 141 . 1 . 1 13 13 DT H6 H 1 7.983 0.01 . 1 . . . . . 13 DT H6 . 53685 1 142 . 1 . 1 13 13 DT H71 H 1 2.150 0.01 . 3 . . . . . 13 DT H71 . 53685 1 143 . 1 . 1 13 13 DT H72 H 1 2.150 0.01 . 3 . . . . . 13 DT H72 . 53685 1 144 . 1 . 1 13 13 DT H73 H 1 2.150 0.01 . 3 . . . . . 13 DT H73 . 53685 1 145 . 1 . 1 13 13 DT P P 31 -3.124 0.05 . 1 . . . . . 13 DT P . 53685 1 146 . 1 . 1 14 14 DT H1' H 1 6.036 0.01 . 1 . . . . . 14 DT H1' . 53685 1 147 . 1 . 1 14 14 DT H2' H 1 1.873 0.01 . 1 . . . . . 14 DT H2' . 53685 1 148 . 1 . 1 14 14 DT H2'' H 1 2.391 0.01 . 1 . . . . . 14 DT H2'' . 53685 1 149 . 1 . 1 14 14 DT H3' H 1 4.842 0.01 . 1 . . . . . 14 DT H3' . 53685 1 150 . 1 . 1 14 14 DT H4' H 1 4.303 0.01 . 1 . . . . . 14 DT H4' . 53685 1 151 . 1 . 1 14 14 DT H5' H 1 4.068 0.01 . 2 . . . . . 14 DT H5' . 53685 1 152 . 1 . 1 14 14 DT H6 H 1 7.553 0.01 . 1 . . . . . 14 DT H6 . 53685 1 153 . 1 . 1 14 14 DT H71 H 1 1.725 0.01 . 3 . . . . . 14 DT H71 . 53685 1 154 . 1 . 1 14 14 DT H72 H 1 1.725 0.01 . 3 . . . . . 14 DT H72 . 53685 1 155 . 1 . 1 14 14 DT H73 H 1 1.725 0.01 . 3 . . . . . 14 DT H73 . 53685 1 156 . 1 . 1 14 14 DT P P 31 -3.885 0.05 . 1 . . . . . 14 DT P . 53685 1 157 . 1 . 1 15 15 DT H1' H 1 6.127 0.01 . 1 . . . . . 15 DT H1' . 53685 1 158 . 1 . 1 15 15 DT H2' H 1 2.394 0.01 . 1 . . . . . 15 DT H2' . 53685 1 159 . 1 . 1 15 15 DT H2'' H 1 2.567 0.01 . 1 . . . . . 15 DT H2'' . 53685 1 160 . 1 . 1 15 15 DT H3' H 1 4.951 0.01 . 1 . . . . . 15 DT H3' . 53685 1 161 . 1 . 1 15 15 DT H4' H 1 4.245 0.01 . 1 . . . . . 15 DT H4' . 53685 1 162 . 1 . 1 15 15 DT H5' H 1 4.073 0.01 . 2 . . . . . 15 DT H5' . 53685 1 163 . 1 . 1 15 15 DT H5'' H 1 3.987 0.01 . 2 . . . . . 15 DT H5'' . 53685 1 164 . 1 . 1 15 15 DT H6 H 1 7.409 0.01 . 1 . . . . . 15 DT H6 . 53685 1 165 . 1 . 1 15 15 DT H71 H 1 1.103 0.01 . 3 . . . . . 15 DT H71 . 53685 1 166 . 1 . 1 15 15 DT H72 H 1 1.103 0.01 . 3 . . . . . 15 DT H72 . 53685 1 167 . 1 . 1 15 15 DT H73 H 1 1.103 0.01 . 3 . . . . . 15 DT H73 . 53685 1 168 . 1 . 1 15 15 DT P P 31 -4.152 0.05 . 1 . . . . . 15 DT P . 53685 1 169 . 1 . 1 16 16 DG H1 H 1 12.086 0.01 . 1 . . . . . 16 DG H1 . 53685 1 170 . 1 . 1 16 16 DG H1' H 1 6.028 0.01 . 1 . . . . . 16 DG H1' . 53685 1 171 . 1 . 1 16 16 DG H2' H 1 3.460 0.01 . 1 . . . . . 16 DG H2' . 53685 1 172 . 1 . 1 16 16 DG H2'' H 1 2.874 0.01 . 1 . . . . . 16 DG H2'' . 53685 1 173 . 1 . 1 16 16 DG H3' H 1 4.975 0.01 . 1 . . . . . 16 DG H3' . 53685 1 174 . 1 . 1 16 16 DG H4' H 1 4.460 0.01 . 1 . . . . . 16 DG H4' . 53685 1 175 . 1 . 1 16 16 DG H5' H 1 4.344 0.01 . 2 . . . . . 16 DG H5' . 53685 1 176 . 1 . 1 16 16 DG H8 H 1 7.452 0.01 . 1 . . . . . 16 DG H8 . 53685 1 177 . 1 . 1 16 16 DG C5 C 13 116.742 0.20 . 1 . . . . . 16 DG C5 . 53685 1 178 . 1 . 1 16 16 DG P P 31 -3.508 0.05 . 1 . . . . . 16 DG P . 53685 1 179 . 1 . 1 17 17 DG H1 H 1 12.402 0.01 . 1 . . . . . 17 DG H1 . 53685 1 180 . 1 . 1 17 17 DG H1' H 1 6.221 0.01 . 1 . . . . . 17 DG H1' . 53685 1 181 . 1 . 1 17 17 DG H2' H 1 2.700 0.01 . 1 . . . . . 17 DG H2' . 53685 1 182 . 1 . 1 17 17 DG H2'' H 1 2.471 0.01 . 1 . . . . . 17 DG H2'' . 53685 1 183 . 1 . 1 17 17 DG H3' H 1 4.809 0.01 . 1 . . . . . 17 DG H3' . 53685 1 184 . 1 . 1 17 17 DG H4' H 1 4.287 0.01 . 1 . . . . . 17 DG H4' . 53685 1 185 . 1 . 1 17 17 DG H5' H 1 4.260 0.01 . 2 . . . . . 17 DG H5' . 53685 1 186 . 1 . 1 17 17 DG H5'' H 1 4.200 0.01 . 2 . . . . . 17 DG H5'' . 53685 1 187 . 1 . 1 17 17 DG H8 H 1 8.110 0.01 . 1 . . . . . 17 DG H8 . 53685 1 188 . 1 . 1 17 17 DG C5 C 13 114.698 0.20 . 1 . . . . . 17 DG C5 . 53685 1 189 . 1 . 1 17 17 DG P P 31 -4.264 0.05 . 1 . . . . . 17 DG P . 53685 1 stop_ save_