################################### # 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 53693 _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' . . . 53693 1 2 '2D 1H-1H NOESY' . . . 53693 1 3 '2D 1H-31P COSY' . . . 53693 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 . . 53693 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 12.063 0.01 . 1 . . . . . 1 DG H1 . 53693 1 2 . 1 . 1 1 1 DG H1' H 1 5.982 0.01 . 1 . . . . . 1 DG H1' . 53693 1 3 . 1 . 1 1 1 DG H2' H 1 2.921 0.01 . 1 . . . . . 1 DG H2' . 53693 1 4 . 1 . 1 1 1 DG H2'' H 1 3.052 0.01 . 1 . . . . . 1 DG H2'' . 53693 1 5 . 1 . 1 1 1 DG H3' H 1 5.033 0.01 . 1 . . . . . 1 DG H3' . 53693 1 6 . 1 . 1 1 1 DG H4' H 1 4.405 0.01 . 1 . . . . . 1 DG H4' . 53693 1 7 . 1 . 1 1 1 DG H5' H 1 4.048 0.01 . 2 . . . . . 1 DG H5' . 53693 1 8 . 1 . 1 1 1 DG H5'' H 1 3.951 0.01 . 2 . . . . . 1 DG H5'' . 53693 1 9 . 1 . 1 1 1 DG H8 H 1 7.527 0.01 . 1 . . . . . 1 DG H8 . 53693 1 10 . 1 . 1 1 1 DG C5 C 13 115.757 0.20 . 1 . . . . . 1 DG C5 . 53693 1 11 . 1 . 1 2 2 DG H1 H 1 12.126 0.01 . 1 . . . . . 2 DG H1 . 53693 1 12 . 1 . 1 2 2 DG H1' H 1 6.075 0.01 . 1 . . . . . 2 DG H1' . 53693 1 13 . 1 . 1 2 2 DG H2' H 1 2.642 0.01 . 1 . . . . . 2 DG H2' . 53693 1 14 . 1 . 1 2 2 DG H2'' H 1 2.626 0.01 . 1 . . . . . 2 DG H2'' . 53693 1 15 . 1 . 1 2 2 DG H3' H 1 5.113 0.01 . 1 . . . . . 2 DG H3' . 53693 1 16 . 1 . 1 2 2 DG H4' H 1 4.460 0.01 . 1 . . . . . 2 DG H4' . 53693 1 17 . 1 . 1 2 2 DG H5' H 1 4.281 0.01 . 2 . . . . . 2 DG H5' . 53693 1 18 . 1 . 1 2 2 DG H8 H 1 8.034 0.01 . 1 . . . . . 2 DG H8 . 53693 1 19 . 1 . 1 2 2 DG C5 C 13 114.734 0.20 . 1 . . . . . 2 DG C5 . 53693 1 20 . 1 . 1 2 2 DG P P 31 -4.301 0.05 . 1 . . . . . 2 DG P . 53693 1 21 . 1 . 1 3 3 DT H1' H 1 6.196 0.01 . 1 . . . . . 3 DT H1' . 53693 1 22 . 1 . 1 3 3 DT H2' H 1 2.287 0.01 . 1 . . . . . 3 DT H2' . 53693 1 23 . 1 . 1 3 3 DT H2'' H 1 2.449 0.01 . 1 . . . . . 3 DT H2'' . 53693 1 24 . 1 . 1 3 3 DT H3' H 1 4.888 0.01 . 1 . . . . . 3 DT H3' . 53693 1 25 . 1 . 1 3 3 DT H4' H 1 4.308 0.01 . 1 . . . . . 3 DT H4' . 53693 1 26 . 1 . 1 3 3 DT H5' H 1 4.296 0.01 . 2 . . . . . 3 DT H5' . 53693 1 27 . 1 . 1 3 3 DT H5'' H 1 4.185 0.01 . 2 . . . . . 3 DT H5'' . 53693 1 28 . 1 . 1 3 3 DT H6 H 1 7.591 0.01 . 1 . . . . . 3 DT H6 . 53693 1 29 . 1 . 1 3 3 DT H71 H 1 1.904 0.01 . 3 . . . . . 3 DT H71 . 53693 1 30 . 1 . 1 3 3 DT H72 H 1 1.904 0.01 . 3 . . . . . 3 DT H72 . 53693 1 31 . 1 . 1 3 3 DT H73 H 1 1.904 0.01 . 3 . . . . . 3 DT H73 . 53693 1 32 . 1 . 1 3 3 DT P P 31 -3.802 0.05 . 1 . . . . . 3 DT P . 53693 1 33 . 1 . 1 4 4 DT H1' H 1 6.038 0.01 . 1 . . . . . 4 DT H1' . 53693 1 34 . 1 . 1 4 4 DT H2' H 1 2.112 0.01 . 1 . . . . . 4 DT H2' . 53693 1 35 . 1 . 1 4 4 DT H2'' H 1 2.306 0.01 . 1 . . . . . 4 DT H2'' . 53693 1 36 . 1 . 1 4 4 DT H3' H 1 4.749 0.01 . 1 . . . . . 4 DT H3' . 53693 1 37 . 1 . 1 4 4 DT H4' H 1 4.171 0.01 . 1 . . . . . 4 DT H4' . 53693 1 38 . 1 . 1 4 4 DT H5' H 1 4.033 0.01 . 2 . . . . . 4 DT H5' . 53693 1 39 . 1 . 1 4 4 DT H6 H 1 7.475 0.01 . 1 . . . . . 4 DT H6 . 53693 1 40 . 1 . 1 4 4 DT H71 H 1 1.788 0.01 . 3 . . . . . 4 DT H71 . 53693 1 41 . 1 . 1 4 4 DT H72 H 1 1.788 0.01 . 3 . . . . . 4 DT H72 . 53693 1 42 . 1 . 1 4 4 DT H73 H 1 1.788 0.01 . 3 . . . . . 4 DT H73 . 53693 1 43 . 1 . 1 4 4 DT P P 31 -4.009 0.05 . 1 . . . . . 4 DT P . 53693 1 44 . 1 . 1 5 5 DT H1' H 1 5.982 0.01 . 1 . . . . . 5 DT H1' . 53693 1 45 . 1 . 1 5 5 DT H2' H 1 2.284 0.01 . 1 . . . . . 5 DT H2' . 53693 1 46 . 1 . 1 5 5 DT H2'' H 1 2.546 0.01 . 1 . . . . . 5 DT H2'' . 53693 1 47 . 1 . 1 5 5 DT H3' H 1 4.704 0.01 . 1 . . . . . 5 DT H3' . 53693 1 48 . 1 . 1 5 5 DT H4' H 1 4.180 0.01 . 1 . . . . . 5 DT H4' . 53693 1 49 . 1 . 1 5 5 DT H5' H 1 3.838 0.01 . 2 . . . . . 5 DT H5' . 53693 1 50 . 1 . 1 5 5 DT H5'' H 1 3.791 0.01 . 2 . . . . . 5 DT H5'' . 53693 1 51 . 1 . 1 5 5 DT H6 H 1 7.375 0.01 . 1 . . . . . 5 DT H6 . 53693 1 52 . 1 . 1 5 5 DT H71 H 1 1.650 0.01 . 3 . . . . . 5 DT H71 . 53693 1 53 . 1 . 1 5 5 DT H72 H 1 1.650 0.01 . 3 . . . . . 5 DT H72 . 53693 1 54 . 1 . 1 5 5 DT H73 H 1 1.650 0.01 . 3 . . . . . 5 DT H73 . 53693 1 55 . 1 . 1 5 5 DT P P 31 -4.020 0.05 . 1 . . . . . 5 DT P . 53693 1 56 . 1 . 1 6 6 DT H1' H 1 5.927 0.01 . 1 . . . . . 6 DT H1' . 53693 1 57 . 1 . 1 6 6 DT H2' H 1 2.064 0.01 . 1 . . . . . 6 DT H2' . 53693 1 58 . 1 . 1 6 6 DT H2'' H 1 2.332 0.01 . 1 . . . . . 6 DT H2'' . 53693 1 59 . 1 . 1 6 6 DT H3' H 1 4.695 0.01 . 1 . . . . . 6 DT H3' . 53693 1 60 . 1 . 1 6 6 DT H4' H 1 4.056 0.01 . 1 . . . . . 6 DT H4' . 53693 1 61 . 1 . 1 6 6 DT H5' H 1 3.907 0.01 . 2 . . . . . 6 DT H5' . 53693 1 62 . 1 . 1 6 6 DT H6 H 1 7.437 0.01 . 1 . . . . . 6 DT H6 . 53693 1 63 . 1 . 1 6 6 DT H71 H 1 1.625 0.01 . 3 . . . . . 6 DT H71 . 53693 1 64 . 1 . 1 6 6 DT H72 H 1 1.625 0.01 . 3 . . . . . 6 DT H72 . 53693 1 65 . 1 . 1 6 6 DT H73 H 1 1.625 0.01 . 3 . . . . . 6 DT H73 . 53693 1 66 . 1 . 1 6 6 DT P P 31 -4.298 0.05 . 1 . . . . . 6 DT P . 53693 1 67 . 1 . 1 7 7 DG H1 H 1 12.028 0.01 . 1 . . . . . 7 DG H1 . 53693 1 68 . 1 . 1 7 7 DG H1' H 1 5.960 0.01 . 1 . . . . . 7 DG H1' . 53693 1 69 . 1 . 1 7 7 DG H2' H 1 3.314 0.01 . 1 . . . . . 7 DG H2' . 53693 1 70 . 1 . 1 7 7 DG H2'' H 1 2.744 0.01 . 1 . . . . . 7 DG H2'' . 53693 1 71 . 1 . 1 7 7 DG H3' H 1 4.963 0.01 . 1 . . . . . 7 DG H3' . 53693 1 72 . 1 . 1 7 7 DG H8 H 1 7.439 0.01 . 1 . . . . . 7 DG H8 . 53693 1 73 . 1 . 1 7 7 DG C5 C 13 117.036 0.20 . 1 . . . . . 7 DG C5 . 53693 1 74 . 1 . 1 7 7 DG P P 31 -4.070 0.05 . 1 . . . . . 7 DG P . 53693 1 75 . 1 . 1 8 8 DG H1 H 1 11.840 0.01 . 1 . . . . . 8 DG H1 . 53693 1 76 . 1 . 1 8 8 DG H1' H 1 6.036 0.01 . 1 . . . . . 8 DG H1' . 53693 1 77 . 1 . 1 8 8 DG H2' H 1 2.619 0.01 . 1 . . . . . 8 DG H2' . 53693 1 78 . 1 . 1 8 8 DG H2'' H 1 2.685 0.01 . 1 . . . . . 8 DG H2'' . 53693 1 79 . 1 . 1 8 8 DG H3' H 1 5.014 0.01 . 1 . . . . . 8 DG H3' . 53693 1 80 . 1 . 1 8 8 DG H4' H 1 4.521 0.01 . 1 . . . . . 8 DG H4' . 53693 1 81 . 1 . 1 8 8 DG H5' H 1 4.223 0.01 . 2 . . . . . 8 DG H5' . 53693 1 82 . 1 . 1 8 8 DG H8 H 1 8.006 0.01 . 1 . . . . . 8 DG H8 . 53693 1 83 . 1 . 1 8 8 DG C5 C 13 114.117 0.20 . 1 . . . . . 8 DG C5 . 53693 1 84 . 1 . 1 8 8 DG P P 31 -4.249 0.05 . 1 . . . . . 8 DG P . 53693 1 85 . 1 . 1 9 9 DT H1' H 1 5.638 0.01 . 1 . . . . . 9 DT H1' . 53693 1 86 . 1 . 1 9 9 DT H2' H 1 1.462 0.01 . 1 . . . . . 9 DT H2' . 53693 1 87 . 1 . 1 9 9 DT H2'' H 1 2.272 0.01 . 1 . . . . . 9 DT H2'' . 53693 1 88 . 1 . 1 9 9 DT H3' H 1 4.607 0.01 . 1 . . . . . 9 DT H3' . 53693 1 89 . 1 . 1 9 9 DT H4' H 1 4.043 0.01 . 1 . . . . . 9 DT H4' . 53693 1 90 . 1 . 1 9 9 DT H5' H 1 4.443 0.01 . 2 . . . . . 9 DT H5' . 53693 1 91 . 1 . 1 9 9 DT H6 H 1 7.070 0.01 . 1 . . . . . 9 DT H6 . 53693 1 92 . 1 . 1 9 9 DT H71 H 1 1.834 0.01 . 3 . . . . . 9 DT H71 . 53693 1 93 . 1 . 1 9 9 DT H72 H 1 1.834 0.01 . 3 . . . . . 9 DT H72 . 53693 1 94 . 1 . 1 9 9 DT H73 H 1 1.834 0.01 . 3 . . . . . 9 DT H73 . 53693 1 95 . 1 . 1 9 9 DT P P 31 -4.808 0.05 . 1 . . . . . 9 DT P . 53693 1 96 . 1 . 1 10 10 DT H1' H 1 5.585 0.01 . 1 . . . . . 10 DT H1' . 53693 1 97 . 1 . 1 10 10 DT H2' H 1 2.066 0.01 . 1 . . . . . 10 DT H2' . 53693 1 98 . 1 . 1 10 10 DT H2'' H 1 1.991 0.01 . 1 . . . . . 10 DT H2'' . 53693 1 99 . 1 . 1 10 10 DT H3' H 1 4.603 0.01 . 1 . . . . . 10 DT H3' . 53693 1 100 . 1 . 1 10 10 DT H4' H 1 3.577 0.01 . 1 . . . . . 10 DT H4' . 53693 1 101 . 1 . 1 10 10 DT H5' H 1 3.667 0.01 . 2 . . . . . 10 DT H5' . 53693 1 102 . 1 . 1 10 10 DT H5'' H 1 3.583 0.01 . 2 . . . . . 10 DT H5'' . 53693 1 103 . 1 . 1 10 10 DT H6 H 1 7.321 0.01 . 1 . . . . . 10 DT H6 . 53693 1 104 . 1 . 1 10 10 DT H71 H 1 1.614 0.01 . 3 . . . . . 10 DT H71 . 53693 1 105 . 1 . 1 10 10 DT H72 H 1 1.614 0.01 . 3 . . . . . 10 DT H72 . 53693 1 106 . 1 . 1 10 10 DT H73 H 1 1.614 0.01 . 3 . . . . . 10 DT H73 . 53693 1 107 . 1 . 1 10 10 DT P P 31 -4.412 0.05 . 1 . . . . . 10 DT P . 53693 1 108 . 1 . 1 11 11 DT H1' H 1 5.483 0.01 . 1 . . . . . 11 DT H1' . 53693 1 109 . 1 . 1 11 11 DT H2' H 1 1.830 0.01 . 1 . . . . . 11 DT H2' . 53693 1 110 . 1 . 1 11 11 DT H2'' H 1 2.382 0.01 . 1 . . . . . 11 DT H2'' . 53693 1 111 . 1 . 1 11 11 DT H3' H 1 4.751 0.01 . 1 . . . . . 11 DT H3' . 53693 1 112 . 1 . 1 11 11 DT H4' H 1 4.490 0.01 . 1 . . . . . 11 DT H4' . 53693 1 113 . 1 . 1 11 11 DT H5' H 1 4.052 0.01 . 2 . . . . . 11 DT H5' . 53693 1 114 . 1 . 1 11 11 DT H5'' H 1 4.007 0.01 . 2 . . . . . 11 DT H5'' . 53693 1 115 . 1 . 1 11 11 DT H6 H 1 7.254 0.01 . 1 . . . . . 11 DT H6 . 53693 1 116 . 1 . 1 11 11 DT H71 H 1 1.569 0.01 . 3 . . . . . 11 DT H71 . 53693 1 117 . 1 . 1 11 11 DT H72 H 1 1.569 0.01 . 3 . . . . . 11 DT H72 . 53693 1 118 . 1 . 1 11 11 DT H73 H 1 1.569 0.01 . 3 . . . . . 11 DT H73 . 53693 1 119 . 1 . 1 11 11 DT P P 31 -4.083 0.05 . 1 . . . . . 11 DT P . 53693 1 120 . 1 . 1 12 12 DT H1' H 1 6.249 0.01 . 1 . . . . . 12 DT H1' . 53693 1 121 . 1 . 1 12 12 DT H2' H 1 2.130 0.01 . 1 . . . . . 12 DT H2' . 53693 1 122 . 1 . 1 12 12 DT H2'' H 1 2.461 0.01 . 1 . . . . . 12 DT H2'' . 53693 1 123 . 1 . 1 12 12 DT H3' H 1 4.545 0.01 . 1 . . . . . 12 DT H3' . 53693 1 124 . 1 . 1 12 12 DT H6 H 1 7.591 0.01 . 1 . . . . . 12 DT H6 . 53693 1 125 . 1 . 1 12 12 DT H71 H 1 1.799 0.01 . 3 . . . . . 12 DT H71 . 53693 1 126 . 1 . 1 12 12 DT H72 H 1 1.799 0.01 . 3 . . . . . 12 DT H72 . 53693 1 127 . 1 . 1 12 12 DT H73 H 1 1.799 0.01 . 3 . . . . . 12 DT H73 . 53693 1 128 . 1 . 1 12 12 DT P P 31 -5.740 0.05 . 1 . . . . . 12 DT P . 53693 1 129 . 1 . 1 13 13 DG H1 H 1 11.969 0.01 . 1 . . . . . 13 DG H1 . 53693 1 130 . 1 . 1 13 13 DG H1' H 1 6.130 0.01 . 1 . . . . . 13 DG H1' . 53693 1 131 . 1 . 1 13 13 DG H2' H 1 3.489 0.01 . 1 . . . . . 13 DG H2' . 53693 1 132 . 1 . 1 13 13 DG H2'' H 1 2.920 0.01 . 1 . . . . . 13 DG H2'' . 53693 1 133 . 1 . 1 13 13 DG H3' H 1 4.951 0.01 . 1 . . . . . 13 DG H3' . 53693 1 134 . 1 . 1 13 13 DG H8 H 1 7.623 0.01 . 1 . . . . . 13 DG H8 . 53693 1 135 . 1 . 1 13 13 DG C5 C 13 115.488 0.20 . 1 . . . . . 13 DG C5 . 53693 1 136 . 1 . 1 13 13 DG P P 31 -4.713 0.05 . 1 . . . . . 13 DG P . 53693 1 137 . 1 . 1 14 14 DG H1 H 1 11.792 0.01 . 1 . . . . . 14 DG H1 . 53693 1 138 . 1 . 1 14 14 DG H1' H 1 6.047 0.01 . 1 . . . . . 14 DG H1' . 53693 1 139 . 1 . 1 14 14 DG H2' H 1 2.687 0.01 . 1 . . . . . 14 DG H2' . 53693 1 140 . 1 . 1 14 14 DG H2'' H 1 2.421 0.01 . 1 . . . . . 14 DG H2'' . 53693 1 141 . 1 . 1 14 14 DG H3' H 1 5.183 0.01 . 1 . . . . . 14 DG H3' . 53693 1 142 . 1 . 1 14 14 DG H4' H 1 4.457 0.01 . 1 . . . . . 14 DG H4' . 53693 1 143 . 1 . 1 14 14 DG H5' H 1 4.311 0.01 . 2 . . . . . 14 DG H5' . 53693 1 144 . 1 . 1 14 14 DG H5'' H 1 4.267 0.01 . 2 . . . . . 14 DG H5'' . 53693 1 145 . 1 . 1 14 14 DG H8 H 1 8.119 0.01 . 1 . . . . . 14 DG H8 . 53693 1 146 . 1 . 1 14 14 DG C5 C 13 114.649 0.20 . 1 . . . . . 14 DG C5 . 53693 1 147 . 1 . 1 14 14 DG P P 31 -4.576 0.05 . 1 . . . . . 14 DG P . 53693 1 148 . 1 . 1 15 15 DT H1' H 1 6.348 0.01 . 1 . . . . . 15 DT H1' . 53693 1 149 . 1 . 1 15 15 DT H2' H 1 2.243 0.01 . 1 . . . . . 15 DT H2' . 53693 1 150 . 1 . 1 15 15 DT H2'' H 1 2.428 0.01 . 1 . . . . . 15 DT H2'' . 53693 1 151 . 1 . 1 15 15 DT H3' H 1 4.910 0.01 . 1 . . . . . 15 DT H3' . 53693 1 152 . 1 . 1 15 15 DT H4' H 1 4.495 0.01 . 1 . . . . . 15 DT H4' . 53693 1 153 . 1 . 1 15 15 DT H5' H 1 4.258 0.01 . 2 . . . . . 15 DT H5' . 53693 1 154 . 1 . 1 15 15 DT H5'' H 1 4.141 0.01 . 2 . . . . . 15 DT H5'' . 53693 1 155 . 1 . 1 15 15 DT H6 H 1 7.912 0.01 . 1 . . . . . 15 DT H6 . 53693 1 156 . 1 . 1 15 15 DT H71 H 1 2.113 0.01 . 3 . . . . . 15 DT H71 . 53693 1 157 . 1 . 1 15 15 DT H72 H 1 2.113 0.01 . 3 . . . . . 15 DT H72 . 53693 1 158 . 1 . 1 15 15 DT H73 H 1 2.113 0.01 . 3 . . . . . 15 DT H73 . 53693 1 159 . 1 . 1 15 15 DT P P 31 -3.169 0.05 . 1 . . . . . 15 DT P . 53693 1 160 . 1 . 1 16 16 DT H1' H 1 6.047 0.01 . 1 . . . . . 16 DT H1' . 53693 1 161 . 1 . 1 16 16 DT H2' H 1 1.820 0.01 . 1 . . . . . 16 DT H2' . 53693 1 162 . 1 . 1 16 16 DT H2'' H 1 2.371 0.01 . 1 . . . . . 16 DT H2'' . 53693 1 163 . 1 . 1 16 16 DT H3' H 1 4.809 0.01 . 1 . . . . . 16 DT H3' . 53693 1 164 . 1 . 1 16 16 DT H4' H 1 4.306 0.01 . 1 . . . . . 16 DT H4' . 53693 1 165 . 1 . 1 16 16 DT H5' H 1 4.074 0.01 . 2 . . . . . 16 DT H5' . 53693 1 166 . 1 . 1 16 16 DT H6 H 1 7.525 0.01 . 1 . . . . . 16 DT H6 . 53693 1 167 . 1 . 1 16 16 DT H71 H 1 1.691 0.01 . 3 . . . . . 16 DT H71 . 53693 1 168 . 1 . 1 16 16 DT H72 H 1 1.691 0.01 . 3 . . . . . 16 DT H72 . 53693 1 169 . 1 . 1 16 16 DT H73 H 1 1.691 0.01 . 3 . . . . . 16 DT H73 . 53693 1 170 . 1 . 1 16 16 DT P P 31 -3.811 0.05 . 1 . . . . . 16 DT P . 53693 1 171 . 1 . 1 17 17 DT H1' H 1 6.157 0.01 . 1 . . . . . 17 DT H1' . 53693 1 172 . 1 . 1 17 17 DT H2' H 1 2.479 0.01 . 1 . . . . . 17 DT H2' . 53693 1 173 . 1 . 1 17 17 DT H2'' H 1 2.525 0.01 . 1 . . . . . 17 DT H2'' . 53693 1 174 . 1 . 1 17 17 DT H3' H 1 4.995 0.01 . 1 . . . . . 17 DT H3' . 53693 1 175 . 1 . 1 17 17 DT H4' H 1 4.181 0.01 . 1 . . . . . 17 DT H4' . 53693 1 176 . 1 . 1 17 17 DT H5' H 1 4.084 0.01 . 2 . . . . . 17 DT H5' . 53693 1 177 . 1 . 1 17 17 DT H5'' H 1 3.976 0.01 . 2 . . . . . 17 DT H5'' . 53693 1 178 . 1 . 1 17 17 DT H6 H 1 7.376 0.01 . 1 . . . . . 17 DT H6 . 53693 1 179 . 1 . 1 17 17 DT H71 H 1 1.479 0.01 . 3 . . . . . 17 DT H71 . 53693 1 180 . 1 . 1 17 17 DT H72 H 1 1.479 0.01 . 3 . . . . . 17 DT H72 . 53693 1 181 . 1 . 1 17 17 DT H73 H 1 1.479 0.01 . 3 . . . . . 17 DT H73 . 53693 1 182 . 1 . 1 17 17 DT P P 31 -4.116 0.05 . 1 . . . . . 17 DT P . 53693 1 183 . 1 . 1 18 18 DG H1 H 1 11.686 0.01 . 1 . . . . . 18 DG H1 . 53693 1 184 . 1 . 1 18 18 DG H1' H 1 6.100 0.01 . 1 . . . . . 18 DG H1' . 53693 1 185 . 1 . 1 18 18 DG H2' H 1 3.604 0.01 . 1 . . . . . 18 DG H2' . 53693 1 186 . 1 . 1 18 18 DG H2'' H 1 3.021 0.01 . 1 . . . . . 18 DG H2'' . 53693 1 187 . 1 . 1 18 18 DG H3' H 1 4.982 0.01 . 1 . . . . . 18 DG H3' . 53693 1 188 . 1 . 1 18 18 DG H4' H 1 4.467 0.01 . 1 . . . . . 18 DG H4' . 53693 1 189 . 1 . 1 18 18 DG H5' H 1 4.418 0.01 . 2 . . . . . 18 DG H5' . 53693 1 190 . 1 . 1 18 18 DG H5'' H 1 4.262 0.01 . 2 . . . . . 18 DG H5'' . 53693 1 191 . 1 . 1 18 18 DG H8 H 1 7.464 0.01 . 1 . . . . . 18 DG H8 . 53693 1 192 . 1 . 1 18 18 DG C5 C 13 116.568 0.20 . 1 . . . . . 18 DG C5 . 53693 1 193 . 1 . 1 18 18 DG P P 31 -2.917 0.05 . 1 . . . . . 18 DG P . 53693 1 194 . 1 . 1 19 19 DG H1 H 1 11.716 0.01 . 1 . . . . . 19 DG H1 . 53693 1 195 . 1 . 1 19 19 DG H1' H 1 6.274 0.01 . 1 . . . . . 19 DG H1' . 53693 1 196 . 1 . 1 19 19 DG H2' H 1 2.658 0.01 . 1 . . . . . 19 DG H2' . 53693 1 197 . 1 . 1 19 19 DG H2'' H 1 2.428 0.01 . 1 . . . . . 19 DG H2'' . 53693 1 198 . 1 . 1 19 19 DG H3' H 1 4.800 0.01 . 1 . . . . . 19 DG H3' . 53693 1 199 . 1 . 1 19 19 DG H4' H 1 4.286 0.01 . 1 . . . . . 19 DG H4' . 53693 1 200 . 1 . 1 19 19 DG H5' H 1 4.328 0.01 . 2 . . . . . 19 DG H5' . 53693 1 201 . 1 . 1 19 19 DG H5'' H 1 4.220 0.01 . 2 . . . . . 19 DG H5'' . 53693 1 202 . 1 . 1 19 19 DG H8 H 1 8.267 0.01 . 1 . . . . . 19 DG H8 . 53693 1 203 . 1 . 1 19 19 DG C5 C 13 114.523 0.20 . 1 . . . . . 19 DG C5 . 53693 1 204 . 1 . 1 19 19 DG P P 31 -4.273 0.05 . 1 . . . . . 19 DG P . 53693 1 stop_ save_