################################### # 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 53692 _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' . . . 53692 1 2 '2D 1H-1H NOESY' . . . 53692 1 3 '2D 1H-31P COSY' . . . 53692 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 . . 53692 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 12.112 0.01 . 1 . . . . . 1 DG H1 . 53692 1 2 . 1 . 1 1 1 DG H1' H 1 5.975 0.01 . 1 . . . . . 1 DG H1' . 53692 1 3 . 1 . 1 1 1 DG H2' H 1 2.954 0.01 . 1 . . . . . 1 DG H2' . 53692 1 4 . 1 . 1 1 1 DG H2'' H 1 3.059 0.01 . 1 . . . . . 1 DG H2'' . 53692 1 5 . 1 . 1 1 1 DG H3' H 1 5.032 0.01 . 1 . . . . . 1 DG H3' . 53692 1 6 . 1 . 1 1 1 DG H4' H 1 4.391 0.01 . 1 . . . . . 1 DG H4' . 53692 1 7 . 1 . 1 1 1 DG H5' H 1 4.039 0.01 . 2 . . . . . 1 DG H5' . 53692 1 8 . 1 . 1 1 1 DG H5'' H 1 3.941 0.01 . 2 . . . . . 1 DG H5'' . 53692 1 9 . 1 . 1 1 1 DG H8 H 1 7.540 0.01 . 1 . . . . . 1 DG H8 . 53692 1 10 . 1 . 1 1 1 DG C5 C 13 115.811 0.20 . 1 . . . . . 1 DG C5 . 53692 1 11 . 1 . 1 2 2 DG H1 H 1 12.186 0.01 . 1 . . . . . 2 DG H1 . 53692 1 12 . 1 . 1 2 2 DG H1' H 1 6.046 0.01 . 1 . . . . . 2 DG H1' . 53692 1 13 . 1 . 1 2 2 DG H2' H 1 2.644 0.01 . 1 . . . . . 2 DG H2' . 53692 1 14 . 1 . 1 2 2 DG H2'' H 1 2.724 0.01 . 1 . . . . . 2 DG H2'' . 53692 1 15 . 1 . 1 2 2 DG H3' H 1 5.152 0.01 . 1 . . . . . 2 DG H3' . 53692 1 16 . 1 . 1 2 2 DG H4' H 1 4.439 0.01 . 1 . . . . . 2 DG H4' . 53692 1 17 . 1 . 1 2 2 DG H5' H 1 4.269 0.01 . 2 . . . . . 2 DG H5' . 53692 1 18 . 1 . 1 2 2 DG H8 H 1 8.065 0.01 . 1 . . . . . 2 DG H8 . 53692 1 19 . 1 . 1 2 2 DG C5 C 13 114.876 0.20 . 1 . . . . . 2 DG C5 . 53692 1 20 . 1 . 1 2 2 DG P P 31 -4.279 0.05 . 1 . . . . . 2 DG P . 53692 1 21 . 1 . 1 3 3 DT H1' H 1 6.162 0.01 . 1 . . . . . 3 DT H1' . 53692 1 22 . 1 . 1 3 3 DT H2' H 1 2.298 0.01 . 1 . . . . . 3 DT H2' . 53692 1 23 . 1 . 1 3 3 DT H2'' H 1 2.435 0.01 . 1 . . . . . 3 DT H2'' . 53692 1 24 . 1 . 1 3 3 DT H3' H 1 5.004 0.01 . 1 . . . . . 3 DT H3' . 53692 1 25 . 1 . 1 3 3 DT H4' H 1 4.252 0.01 . 1 . . . . . 3 DT H4' . 53692 1 26 . 1 . 1 3 3 DT H5' H 1 4.266 0.01 . 2 . . . . . 3 DT H5' . 53692 1 27 . 1 . 1 3 3 DT H5'' H 1 4.159 0.01 . 2 . . . . . 3 DT H5'' . 53692 1 28 . 1 . 1 3 3 DT H6 H 1 7.701 0.01 . 1 . . . . . 3 DT H6 . 53692 1 29 . 1 . 1 3 3 DT H71 H 1 2.003 0.01 . 3 . . . . . 3 DT H71 . 53692 1 30 . 1 . 1 3 3 DT H72 H 1 2.003 0.01 . 3 . . . . . 3 DT H72 . 53692 1 31 . 1 . 1 3 3 DT H73 H 1 2.003 0.01 . 3 . . . . . 3 DT H73 . 53692 1 32 . 1 . 1 3 3 DT P P 31 -3.414 0.05 . 1 . . . . . 3 DT P . 53692 1 33 . 1 . 1 4 4 DT H1' H 1 6.004 0.01 . 1 . . . . . 4 DT H1' . 53692 1 34 . 1 . 1 4 4 DT H2' H 1 2.153 0.01 . 1 . . . . . 4 DT H2' . 53692 1 35 . 1 . 1 4 4 DT H2'' H 1 2.414 0.01 . 1 . . . . . 4 DT H2'' . 53692 1 36 . 1 . 1 4 4 DT H3' H 1 4.694 0.01 . 1 . . . . . 4 DT H3' . 53692 1 37 . 1 . 1 4 4 DT H4' H 1 4.171 0.01 . 1 . . . . . 4 DT H4' . 53692 1 38 . 1 . 1 4 4 DT H5' H 1 3.985 0.01 . 2 . . . . . 4 DT H5' . 53692 1 39 . 1 . 1 4 4 DT H5'' H 1 3.871 0.01 . 2 . . . . . 4 DT H5'' . 53692 1 40 . 1 . 1 4 4 DT H6 H 1 7.526 0.01 . 1 . . . . . 4 DT H6 . 53692 1 41 . 1 . 1 4 4 DT H71 H 1 1.815 0.01 . 3 . . . . . 4 DT H71 . 53692 1 42 . 1 . 1 4 4 DT H72 H 1 1.815 0.01 . 3 . . . . . 4 DT H72 . 53692 1 43 . 1 . 1 4 4 DT H73 H 1 1.815 0.01 . 3 . . . . . 4 DT H73 . 53692 1 44 . 1 . 1 4 4 DT P P 31 -4.113 0.05 . 1 . . . . . 4 DT P . 53692 1 45 . 1 . 1 5 5 DT H1' H 1 5.922 0.01 . 1 . . . . . 5 DT H1' . 53692 1 46 . 1 . 1 5 5 DT H2' H 1 2.080 0.01 . 1 . . . . . 5 DT H2' . 53692 1 47 . 1 . 1 5 5 DT H2'' H 1 2.399 0.01 . 1 . . . . . 5 DT H2'' . 53692 1 48 . 1 . 1 5 5 DT H3' H 1 4.690 0.01 . 1 . . . . . 5 DT H3' . 53692 1 49 . 1 . 1 5 5 DT H4' H 1 4.013 0.01 . 1 . . . . . 5 DT H4' . 53692 1 50 . 1 . 1 5 5 DT H5' H 1 3.787 0.01 . 2 . . . . . 5 DT H5' . 53692 1 51 . 1 . 1 5 5 DT H5'' H 1 3.424 0.01 . 2 . . . . . 5 DT H5'' . 53692 1 52 . 1 . 1 5 5 DT H6 H 1 7.354 0.01 . 1 . . . . . 5 DT H6 . 53692 1 53 . 1 . 1 5 5 DT H71 H 1 1.598 0.01 . 3 . . . . . 5 DT H71 . 53692 1 54 . 1 . 1 5 5 DT H72 H 1 1.598 0.01 . 3 . . . . . 5 DT H72 . 53692 1 55 . 1 . 1 5 5 DT H73 H 1 1.598 0.01 . 3 . . . . . 5 DT H73 . 53692 1 56 . 1 . 1 5 5 DT P P 31 -4.096 0.05 . 1 . . . . . 5 DT P . 53692 1 57 . 1 . 1 6 6 DT H1' H 1 5.851 0.01 . 1 . . . . . 6 DT H1' . 53692 1 58 . 1 . 1 6 6 DT H2' H 1 2.180 0.01 . 1 . . . . . 6 DT H2' . 53692 1 59 . 1 . 1 6 6 DT H2'' H 1 2.335 0.01 . 1 . . . . . 6 DT H2'' . 53692 1 60 . 1 . 1 6 6 DT H3' H 1 4.624 0.01 . 1 . . . . . 6 DT H3' . 53692 1 61 . 1 . 1 6 6 DT H4' H 1 4.031 0.01 . 1 . . . . . 6 DT H4' . 53692 1 62 . 1 . 1 6 6 DT H5' H 1 3.955 0.01 . 2 . . . . . 6 DT H5' . 53692 1 63 . 1 . 1 6 6 DT H5'' H 1 3.763 0.01 . 2 . . . . . 6 DT H5'' . 53692 1 64 . 1 . 1 6 6 DT H6 H 1 7.284 0.01 . 1 . . . . . 6 DT H6 . 53692 1 65 . 1 . 1 6 6 DT H71 H 1 1.630 0.01 . 3 . . . . . 6 DT H71 . 53692 1 66 . 1 . 1 6 6 DT H72 H 1 1.630 0.01 . 3 . . . . . 6 DT H72 . 53692 1 67 . 1 . 1 6 6 DT H73 H 1 1.630 0.01 . 3 . . . . . 6 DT H73 . 53692 1 68 . 1 . 1 6 6 DT P P 31 -4.293 0.05 . 1 . . . . . 6 DT P . 53692 1 69 . 1 . 1 7 7 DG H1 H 1 12.075 0.01 . 1 . . . . . 7 DG H1 . 53692 1 70 . 1 . 1 7 7 DG H1' H 1 6.002 0.01 . 1 . . . . . 7 DG H1' . 53692 1 71 . 1 . 1 7 7 DG H2' H 1 3.364 0.01 . 1 . . . . . 7 DG H2' . 53692 1 72 . 1 . 1 7 7 DG H2'' H 1 2.739 0.01 . 1 . . . . . 7 DG H2'' . 53692 1 73 . 1 . 1 7 7 DG H3' H 1 4.922 0.01 . 1 . . . . . 7 DG H3' . 53692 1 74 . 1 . 1 7 7 DG H4' H 1 4.390 0.01 . 1 . . . . . 7 DG H4' . 53692 1 75 . 1 . 1 7 7 DG H5' H 1 4.326 0.01 . 2 . . . . . 7 DG H5' . 53692 1 76 . 1 . 1 7 7 DG H5'' H 1 4.204 0.01 . 2 . . . . . 7 DG H5'' . 53692 1 77 . 1 . 1 7 7 DG H8 H 1 7.463 0.01 . 1 . . . . . 7 DG H8 . 53692 1 78 . 1 . 1 7 7 DG C5 C 13 117.216 0.20 . 1 . . . . . 7 DG C5 . 53692 1 79 . 1 . 1 7 7 DG P P 31 -4.104 0.05 . 1 . . . . . 7 DG P . 53692 1 80 . 1 . 1 8 8 DG H1 H 1 11.908 0.01 . 1 . . . . . 8 DG H1 . 53692 1 81 . 1 . 1 8 8 DG H1' H 1 6.038 0.01 . 1 . . . . . 8 DG H1' . 53692 1 82 . 1 . 1 8 8 DG H2' H 1 2.632 0.01 . 1 . . . . . 8 DG H2' . 53692 1 83 . 1 . 1 8 8 DG H2'' H 1 2.678 0.01 . 1 . . . . . 8 DG H2'' . 53692 1 84 . 1 . 1 8 8 DG H3' H 1 5.014 0.01 . 1 . . . . . 8 DG H3' . 53692 1 85 . 1 . 1 8 8 DG H4' H 1 4.527 0.01 . 1 . . . . . 8 DG H4' . 53692 1 86 . 1 . 1 8 8 DG H5' H 1 4.222 0.01 . 2 . . . . . 8 DG H5' . 53692 1 87 . 1 . 1 8 8 DG H8 H 1 8.012 0.01 . 1 . . . . . 8 DG H8 . 53692 1 88 . 1 . 1 8 8 DG C5 C 13 114.114 0.20 . 1 . . . . . 8 DG C5 . 53692 1 89 . 1 . 1 8 8 DG P P 31 -4.266 0.05 . 1 . . . . . 8 DG P . 53692 1 90 . 1 . 1 9 9 DT H1' H 1 5.658 0.01 . 1 . . . . . 9 DT H1' . 53692 1 91 . 1 . 1 9 9 DT H2' H 1 1.422 0.01 . 1 . . . . . 9 DT H2' . 53692 1 92 . 1 . 1 9 9 DT H2'' H 1 2.274 0.01 . 1 . . . . . 9 DT H2'' . 53692 1 93 . 1 . 1 9 9 DT H3' H 1 4.605 0.01 . 1 . . . . . 9 DT H3' . 53692 1 94 . 1 . 1 9 9 DT H4' H 1 4.060 0.01 . 1 . . . . . 9 DT H4' . 53692 1 95 . 1 . 1 9 9 DT H5' H 1 4.463 0.01 . 2 . . . . . 9 DT H5' . 53692 1 96 . 1 . 1 9 9 DT H5'' H 1 4.143 0.01 . 2 . . . . . 9 DT H5'' . 53692 1 97 . 1 . 1 9 9 DT H6 H 1 7.070 0.01 . 1 . . . . . 9 DT H6 . 53692 1 98 . 1 . 1 9 9 DT H71 H 1 1.838 0.01 . 3 . . . . . 9 DT H71 . 53692 1 99 . 1 . 1 9 9 DT H72 H 1 1.838 0.01 . 3 . . . . . 9 DT H72 . 53692 1 100 . 1 . 1 9 9 DT H73 H 1 1.838 0.01 . 3 . . . . . 9 DT H73 . 53692 1 101 . 1 . 1 9 9 DT P P 31 -4.851 0.05 . 1 . . . . . 9 DT P . 53692 1 102 . 1 . 1 10 10 DT H1' H 1 5.569 0.01 . 1 . . . . . 10 DT H1' . 53692 1 103 . 1 . 1 10 10 DT H2' H 1 2.121 0.01 . 1 . . . . . 10 DT H2' . 53692 1 104 . 1 . 1 10 10 DT H2'' H 1 1.975 0.01 . 1 . . . . . 10 DT H2'' . 53692 1 105 . 1 . 1 10 10 DT H3' H 1 4.614 0.01 . 1 . . . . . 10 DT H3' . 53692 1 106 . 1 . 1 10 10 DT H4' H 1 3.553 0.01 . 1 . . . . . 10 DT H4' . 53692 1 107 . 1 . 1 10 10 DT H5' H 1 3.657 0.01 . 2 . . . . . 10 DT H5' . 53692 1 108 . 1 . 1 10 10 DT H5'' H 1 3.560 0.01 . 2 . . . . . 10 DT H5'' . 53692 1 109 . 1 . 1 10 10 DT H6 H 1 7.318 0.01 . 1 . . . . . 10 DT H6 . 53692 1 110 . 1 . 1 10 10 DT H71 H 1 1.604 0.01 . 3 . . . . . 10 DT H71 . 53692 1 111 . 1 . 1 10 10 DT H72 H 1 1.604 0.01 . 3 . . . . . 10 DT H72 . 53692 1 112 . 1 . 1 10 10 DT H73 H 1 1.604 0.01 . 3 . . . . . 10 DT H73 . 53692 1 113 . 1 . 1 10 10 DT P P 31 -4.540 0.05 . 1 . . . . . 10 DT P . 53692 1 114 . 1 . 1 11 11 DT H1' H 1 5.447 0.01 . 1 . . . . . 11 DT H1' . 53692 1 115 . 1 . 1 11 11 DT H2' H 1 1.811 0.01 . 1 . . . . . 11 DT H2' . 53692 1 116 . 1 . 1 11 11 DT H2'' H 1 2.436 0.01 . 1 . . . . . 11 DT H2'' . 53692 1 117 . 1 . 1 11 11 DT H3' H 1 4.803 0.01 . 1 . . . . . 11 DT H3' . 53692 1 118 . 1 . 1 11 11 DT H4' H 1 4.529 0.01 . 1 . . . . . 11 DT H4' . 53692 1 119 . 1 . 1 11 11 DT H5' H 1 4.084 0.01 . 2 . . . . . 11 DT H5' . 53692 1 120 . 1 . 1 11 11 DT H5'' H 1 4.028 0.01 . 2 . . . . . 11 DT H5'' . 53692 1 121 . 1 . 1 11 11 DT H6 H 1 7.245 0.01 . 1 . . . . . 11 DT H6 . 53692 1 122 . 1 . 1 11 11 DT H71 H 1 1.575 0.01 . 3 . . . . . 11 DT H71 . 53692 1 123 . 1 . 1 11 11 DT H72 H 1 1.575 0.01 . 3 . . . . . 11 DT H72 . 53692 1 124 . 1 . 1 11 11 DT H73 H 1 1.575 0.01 . 3 . . . . . 11 DT H73 . 53692 1 125 . 1 . 1 11 11 DT P P 31 -4.061 0.05 . 1 . . . . . 11 DT P . 53692 1 126 . 1 . 1 12 12 DT H1' H 1 6.304 0.01 . 1 . . . . . 12 DT H1' . 53692 1 127 . 1 . 1 12 12 DT H2' H 1 2.157 0.01 . 1 . . . . . 12 DT H2' . 53692 1 128 . 1 . 1 12 12 DT H2'' H 1 2.468 0.01 . 1 . . . . . 12 DT H2'' . 53692 1 129 . 1 . 1 12 12 DT H3' H 1 4.547 0.01 . 1 . . . . . 12 DT H3' . 53692 1 130 . 1 . 1 12 12 DT H4' H 1 3.045 0.01 . 1 . . . . . 12 DT H4' . 53692 1 131 . 1 . 1 12 12 DT H5' H 1 3.026 0.01 . 2 . . . . . 12 DT H5' . 53692 1 132 . 1 . 1 12 12 DT H5'' H 1 2.903 0.01 . 2 . . . . . 12 DT H5'' . 53692 1 133 . 1 . 1 12 12 DT H6 H 1 7.640 0.01 . 1 . . . . . 12 DT H6 . 53692 1 134 . 1 . 1 12 12 DT H71 H 1 1.808 0.01 . 3 . . . . . 12 DT H71 . 53692 1 135 . 1 . 1 12 12 DT H72 H 1 1.808 0.01 . 3 . . . . . 12 DT H72 . 53692 1 136 . 1 . 1 12 12 DT H73 H 1 1.808 0.01 . 3 . . . . . 12 DT H73 . 53692 1 137 . 1 . 1 12 12 DT P P 31 -5.783 0.05 . 1 . . . . . 12 DT P . 53692 1 138 . 1 . 1 13 13 DG H1 H 1 12.118 0.01 . 1 . . . . . 13 DG H1 . 53692 1 139 . 1 . 1 13 13 DG H1' H 1 6.123 0.01 . 1 . . . . . 13 DG H1' . 53692 1 140 . 1 . 1 13 13 DG H2' H 1 3.490 0.01 . 1 . . . . . 13 DG H2' . 53692 1 141 . 1 . 1 13 13 DG H2'' H 1 2.949 0.01 . 1 . . . . . 13 DG H2'' . 53692 1 142 . 1 . 1 13 13 DG H3' H 1 5.002 0.01 . 1 . . . . . 13 DG H3' . 53692 1 143 . 1 . 1 13 13 DG H4' H 1 4.481 0.01 . 1 . . . . . 13 DG H4' . 53692 1 144 . 1 . 1 13 13 DG H5' H 1 4.164 0.01 . 2 . . . . . 13 DG H5' . 53692 1 145 . 1 . 1 13 13 DG H8 H 1 7.636 0.01 . 1 . . . . . 13 DG H8 . 53692 1 146 . 1 . 1 13 13 DG C5 C 13 115.768 0.20 . 1 . . . . . 13 DG C5 . 53692 1 147 . 1 . 1 13 13 DG P P 31 -4.768 0.05 . 1 . . . . . 13 DG P . 53692 1 148 . 1 . 1 14 14 DG H1 H 1 11.923 0.01 . 1 . . . . . 14 DG H1 . 53692 1 149 . 1 . 1 14 14 DG H1' H 1 5.993 0.01 . 1 . . . . . 14 DG H1' . 53692 1 150 . 1 . 1 14 14 DG H2' H 1 2.802 0.01 . 1 . . . . . 14 DG H2' . 53692 1 151 . 1 . 1 14 14 DG H2'' H 1 2.374 0.01 . 1 . . . . . 14 DG H2'' . 53692 1 152 . 1 . 1 14 14 DG H3' H 1 5.109 0.01 . 1 . . . . . 14 DG H3' . 53692 1 153 . 1 . 1 14 14 DG H4' H 1 4.438 0.01 . 1 . . . . . 14 DG H4' . 53692 1 154 . 1 . 1 14 14 DG H5' H 1 4.304 0.01 . 2 . . . . . 14 DG H5' . 53692 1 155 . 1 . 1 14 14 DG H8 H 1 8.148 0.01 . 1 . . . . . 14 DG H8 . 53692 1 156 . 1 . 1 14 14 DG C5 C 13 114.823 0.20 . 1 . . . . . 14 DG C5 . 53692 1 157 . 1 . 1 14 14 DG P P 31 -4.506 0.05 . 1 . . . . . 14 DG P . 53692 1 158 . 1 . 1 15 15 DT H1' H 1 6.172 0.01 . 1 . . . . . 15 DT H1' . 53692 1 159 . 1 . 1 15 15 DT H2' H 1 2.052 0.01 . 1 . . . . . 15 DT H2' . 53692 1 160 . 1 . 1 15 15 DT H2'' H 1 2.471 0.01 . 1 . . . . . 15 DT H2'' . 53692 1 161 . 1 . 1 15 15 DT H3' H 1 4.869 0.01 . 1 . . . . . 15 DT H3' . 53692 1 162 . 1 . 1 15 15 DT H4' H 1 4.357 0.01 . 1 . . . . . 15 DT H4' . 53692 1 163 . 1 . 1 15 15 DT H5' H 1 4.291 0.01 . 2 . . . . . 15 DT H5' . 53692 1 164 . 1 . 1 15 15 DT H5'' H 1 4.226 0.01 . 2 . . . . . 15 DT H5'' . 53692 1 165 . 1 . 1 15 15 DT H6 H 1 7.827 0.01 . 1 . . . . . 15 DT H6 . 53692 1 166 . 1 . 1 15 15 DT H71 H 1 2.027 0.01 . 3 . . . . . 15 DT H71 . 53692 1 167 . 1 . 1 15 15 DT H72 H 1 2.027 0.01 . 3 . . . . . 15 DT H72 . 53692 1 168 . 1 . 1 15 15 DT H73 H 1 2.027 0.01 . 3 . . . . . 15 DT H73 . 53692 1 169 . 1 . 1 15 15 DT P P 31 -2.832 0.05 . 1 . . . . . 15 DT P . 53692 1 170 . 1 . 1 16 16 DT H1' H 1 6.193 0.01 . 1 . . . . . 16 DT H1' . 53692 1 171 . 1 . 1 16 16 DT H2' H 1 2.205 0.01 . 1 . . . . . 16 DT H2' . 53692 1 172 . 1 . 1 16 16 DT H2'' H 1 2.691 0.01 . 1 . . . . . 16 DT H2'' . 53692 1 173 . 1 . 1 16 16 DT H3' H 1 4.922 0.01 . 1 . . . . . 16 DT H3' . 53692 1 174 . 1 . 1 16 16 DT H4' H 1 4.327 0.01 . 1 . . . . . 16 DT H4' . 53692 1 175 . 1 . 1 16 16 DT H5' H 1 4.154 0.01 . 2 . . . . . 16 DT H5' . 53692 1 176 . 1 . 1 16 16 DT H5'' H 1 3.945 0.01 . 2 . . . . . 16 DT H5'' . 53692 1 177 . 1 . 1 16 16 DT H6 H 1 7.295 0.01 . 1 . . . . . 16 DT H6 . 53692 1 178 . 1 . 1 16 16 DT H71 H 1 1.309 0.01 . 3 . . . . . 16 DT H71 . 53692 1 179 . 1 . 1 16 16 DT H72 H 1 1.309 0.01 . 3 . . . . . 16 DT H72 . 53692 1 180 . 1 . 1 16 16 DT H73 H 1 1.309 0.01 . 3 . . . . . 16 DT H73 . 53692 1 181 . 1 . 1 16 16 DT P P 31 -3.377 0.05 . 1 . . . . . 16 DT P . 53692 1 182 . 1 . 1 17 17 DG H1 H 1 11.628 0.01 . 1 . . . . . 17 DG H1 . 53692 1 183 . 1 . 1 17 17 DG H1' H 1 6.137 0.01 . 1 . . . . . 17 DG H1' . 53692 1 184 . 1 . 1 17 17 DG H2' H 1 3.697 0.01 . 1 . . . . . 17 DG H2' . 53692 1 185 . 1 . 1 17 17 DG H2'' H 1 3.110 0.01 . 1 . . . . . 17 DG H2'' . 53692 1 186 . 1 . 1 17 17 DG H3' H 1 4.983 0.01 . 1 . . . . . 17 DG H3' . 53692 1 187 . 1 . 1 17 17 DG H4' H 1 4.466 0.01 . 1 . . . . . 17 DG H4' . 53692 1 188 . 1 . 1 17 17 DG H5' H 1 4.335 0.01 . 2 . . . . . 17 DG H5' . 53692 1 189 . 1 . 1 17 17 DG H8 H 1 7.499 0.01 . 1 . . . . . 17 DG H8 . 53692 1 190 . 1 . 1 17 17 DG C5 C 13 116.614 0.20 . 1 . . . . . 17 DG C5 . 53692 1 191 . 1 . 1 17 17 DG P P 31 -3.295 0.05 . 1 . . . . . 17 DG P . 53692 1 192 . 1 . 1 18 18 DG H1 H 1 11.793 0.01 . 1 . . . . . 18 DG H1 . 53692 1 193 . 1 . 1 18 18 DG H1' H 1 6.217 0.01 . 1 . . . . . 18 DG H1' . 53692 1 194 . 1 . 1 18 18 DG H2' H 1 2.598 0.01 . 1 . . . . . 18 DG H2' . 53692 1 195 . 1 . 1 18 18 DG H2'' H 1 2.398 0.01 . 1 . . . . . 18 DG H2'' . 53692 1 196 . 1 . 1 18 18 DG H3' H 1 4.792 0.01 . 1 . . . . . 18 DG H3' . 53692 1 197 . 1 . 1 18 18 DG H4' H 1 4.252 0.01 . 1 . . . . . 18 DG H4' . 53692 1 198 . 1 . 1 18 18 DG H8 H 1 8.176 0.01 . 1 . . . . . 18 DG H8 . 53692 1 199 . 1 . 1 18 18 DG C5 C 13 114.609 0.20 . 1 . . . . . 18 DG C5 . 53692 1 200 . 1 . 1 18 18 DG P P 31 -4.194 0.05 . 1 . . . . . 18 DG P . 53692 1 stop_ save_