################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Buffer_1X _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chem_shift_reference _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-15N HSQC' . . . 27173 1 2 '2D 1H-13C HSQC' . . . 27173 1 3 '2D 1H-13C HSQC aromatic' . . . 27173 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.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 DA H1' H 1 5.982 0.005 . 1 . . . . . 1 A H1' . 27173 1 2 . 1 1 1 1 DA H2 H 1 8.141 0.000 . 1 . . . . . 1 A H2 . 27173 1 3 . 1 1 1 1 DA H2' H 1 2.514 0.008 . 2 . . . . . 1 A H2' . 27173 1 4 . 1 1 1 1 DA H2'' H 1 2.647 0.004 . 2 . . . . . 1 A H2'' . 27173 1 5 . 1 1 1 1 DA H3' H 1 4.867 0.005 . 1 . . . . . 1 A H3' . 27173 1 6 . 1 1 1 1 DA H4' H 1 4.140 0.001 . 1 . . . . . 1 A H4' . 27173 1 7 . 1 1 1 1 DA H5' H 1 3.704 0.003 . 1 . . . . . 1 A H5' . 27173 1 8 . 1 1 1 1 DA H5'' H 1 3.704 0.003 . 1 . . . . . 1 A H5'' . 27173 1 9 . 1 1 1 1 DA H8 H 1 7.937 0.009 . 1 . . . . . 1 A H8 . 27173 1 10 . 1 1 1 1 DA C1' C 13 84.610 0.000 . 1 . . . . . 1 A C1' . 27173 1 11 . 1 1 1 1 DA C2 C 13 152.898 0.000 . 1 . . . . . 1 A C2 . 27173 1 12 . 1 1 1 1 DA C2' C 13 37.771 0.025 . 2 . . . . . 1 A C2' . 27173 1 13 . 1 1 1 1 DA C3' C 13 74.651 0.000 . 1 . . . . . 1 A C3' . 27173 1 14 . 1 1 1 1 DA C4' C 13 85.102 0.000 . 1 . . . . . 1 A C4' . 27173 1 15 . 1 1 1 1 DA C5' C 13 61.887 0.000 . 1 . . . . . 1 A C5' . 27173 1 16 . 1 1 1 1 DA C8 C 13 139.724 0.000 . 1 . . . . . 1 A C8 . 27173 1 17 . 1 1 2 2 DG H1 H 1 11.716 0.002 . 1 . . . . . 2 G H1 . 27173 1 18 . 1 1 2 2 DG H1' H 1 6.095 0.004 . 1 . . . . . 2 G H1' . 27173 1 19 . 1 1 2 2 DG H2' H 1 2.786 0.009 . 2 . . . . . 2 G H2' . 27173 1 20 . 1 1 2 2 DG H2'' H 1 3.031 0.003 . 2 . . . . . 2 G H2'' . 27173 1 21 . 1 1 2 2 DG H3' H 1 5.061 0.005 . 1 . . . . . 2 G H3' . 27173 1 22 . 1 1 2 2 DG H4' H 1 4.488 0.007 . 1 . . . . . 2 G H4' . 27173 1 23 . 1 1 2 2 DG H5' H 1 4.164 0.009 . 1 . . . . . 2 G H5' . 27173 1 24 . 1 1 2 2 DG H5'' H 1 4.164 0.009 . 1 . . . . . 2 G H5'' . 27173 1 25 . 1 1 2 2 DG H8 H 1 8.052 0.003 . 1 . . . . . 2 G H8 . 27173 1 26 . 1 1 2 2 DG C1' C 13 82.992 0.000 . 1 . . . . . 2 G C1' . 27173 1 27 . 1 1 2 2 DG C2' C 13 37.497 0.039 . 2 . . . . . 2 G C2' . 27173 1 28 . 1 1 2 2 DG C3' C 13 77.143 0.000 . 1 . . . . . 2 G C3' . 27173 1 29 . 1 1 2 2 DG C4' C 13 85.222 0.000 . 1 . . . . . 2 G C4' . 27173 1 30 . 1 1 2 2 DG C5' C 13 66.074 0.000 . 1 . . . . . 2 G C5' . 27173 1 31 . 1 1 2 2 DG C8 C 13 135.490 0.000 . 1 . . . . . 2 G C8 . 27173 1 32 . 1 1 2 2 DG N1 N 15 143.176 0.000 . 1 . . . . . 2 G N1 . 27173 1 33 . 1 1 3 3 DG H1 H 1 11.218 0.007 . 1 . . . . . 3 G H1 . 27173 1 34 . 1 1 3 3 DG H1' H 1 6.162 0.009 . 1 . . . . . 3 G H1' . 27173 1 35 . 1 1 3 3 DG H2' H 1 2.524 0.003 . 2 . . . . . 3 G H2' . 27173 1 36 . 1 1 3 3 DG H2'' H 1 2.922 0.006 . 2 . . . . . 3 G H2'' . 27173 1 37 . 1 1 3 3 DG H3' H 1 4.966 0.003 . 1 . . . . . 3 G H3' . 27173 1 38 . 1 1 3 3 DG H4' H 1 4.568 0.002 . 1 . . . . . 3 G H4' . 27173 1 39 . 1 1 3 3 DG H5' H 1 4.344 0.000 . 2 . . . . . 3 G H5' . 27173 1 40 . 1 1 3 3 DG H5'' H 1 4.245 0.005 . 2 . . . . . 3 G H5'' . 27173 1 41 . 1 1 3 3 DG H8 H 1 7.610 0.006 . 1 . . . . . 3 G H8 . 27173 1 42 . 1 1 3 3 DG C1' C 13 82.056 0.000 . 1 . . . . . 3 G C1' . 27173 1 43 . 1 1 3 3 DG C2' C 13 40.104 0.018 . 2 . . . . . 3 G C2' . 27173 1 44 . 1 1 3 3 DG C3' C 13 75.958 0.000 . 1 . . . . . 3 G C3' . 27173 1 45 . 1 1 3 3 DG C4' C 13 84.842 0.000 . 1 . . . . . 3 G C4' . 27173 1 46 . 1 1 3 3 DG C5' C 13 65.896 0.013 . 2 . . . . . 3 G C5' . 27173 1 47 . 1 1 3 3 DG C8 C 13 134.384 0.000 . 1 . . . . . 3 G C8 . 27173 1 48 . 1 1 3 3 DG N1 N 15 143.428 0.000 . 1 . . . . . 3 G N1 . 27173 1 49 . 1 1 4 4 DG H1 H 1 11.260 0.003 . 1 . . . . . 4 G H1 . 27173 1 50 . 1 1 4 4 DG H1' H 1 6.340 0.009 . 1 . . . . . 4 G H1' . 27173 1 51 . 1 1 4 4 DG H2' H 1 2.785 0.003 . 1 . . . . . 4 G H2' . 27173 1 52 . 1 1 4 4 DG H2'' H 1 2.785 0.003 . 1 . . . . . 4 G H2'' . 27173 1 53 . 1 1 4 4 DG H3' H 1 5.171 0.011 . 1 . . . . . 4 G H3' . 27173 1 54 . 1 1 4 4 DG H4' H 1 4.697 0.007 . 1 . . . . . 4 G H4' . 27173 1 55 . 1 1 4 4 DG H5' H 1 4.355 0.000 . 2 . . . . . 4 G H5' . 27173 1 56 . 1 1 4 4 DG H5'' H 1 4.384 0.000 . 2 . . . . . 4 G H5'' . 27173 1 57 . 1 1 4 4 DG H8 H 1 7.729 0.005 . 1 . . . . . 4 G H8 . 27173 1 58 . 1 1 4 4 DG C1' C 13 80.876 0.000 . 1 . . . . . 4 G C1' . 27173 1 59 . 1 1 4 4 DG C2' C 13 39.843 0.000 . 1 . . . . . 4 G C2' . 27173 1 60 . 1 1 4 4 DG C3' C 13 78.524 0.000 . 1 . . . . . 4 G C3' . 27173 1 61 . 1 1 4 4 DG C5' C 13 64.941 0.003 . 2 . . . . . 4 G C5' . 27173 1 62 . 1 1 4 4 DG C8 C 13 135.342 0.000 . 1 . . . . . 4 G C8 . 27173 1 63 . 1 1 4 4 DG N1 N 15 143.370 0.000 . 1 . . . . . 4 G N1 . 27173 1 64 . 1 1 5 5 DC H1' H 1 6.535 0.005 . 1 . . . . . 5 C H1' . 27173 1 65 . 1 1 5 5 DC H2' H 1 2.455 0.004 . 2 . . . . . 5 C H2' . 27173 1 66 . 1 1 5 5 DC H2'' H 1 2.786 0.012 . 2 . . . . . 5 C H2'' . 27173 1 67 . 1 1 5 5 DC H3' H 1 5.137 0.004 . 1 . . . . . 5 C H3' . 27173 1 68 . 1 1 5 5 DC H4' H 1 4.677 0.004 . 1 . . . . . 5 C H4' . 27173 1 69 . 1 1 5 5 DC H5 H 1 6.243 0.017 . 1 . . . . . 5 C H5 . 27173 1 70 . 1 1 5 5 DC H5' H 1 4.329 0.001 . 2 . . . . . 5 C H5' . 27173 1 71 . 1 1 5 5 DC H5'' H 1 4.418 0.013 . 2 . . . . . 5 C H5'' . 27173 1 72 . 1 1 5 5 DC H6 H 1 8.087 0.001 . 1 . . . . . 5 C H6 . 27173 1 73 . 1 1 5 5 DC C1' C 13 86.270 0.000 . 1 . . . . . 5 C C1' . 27173 1 74 . 1 1 5 5 DC C2' C 13 39.809 0.028 . 2 . . . . . 5 C C2' . 27173 1 75 . 1 1 5 5 DC C3' C 13 75.941 0.000 . 1 . . . . . 5 C C3' . 27173 1 76 . 1 1 5 5 DC C4' C 13 84.882 0.000 . 1 . . . . . 5 C C4' . 27173 1 77 . 1 1 5 5 DC C5 C 13 96.874 0.000 . 1 . . . . . 5 C C5 . 27173 1 78 . 1 1 5 5 DC C5' C 13 66.554 0.007 . 2 . . . . . 5 C C5' . 27173 1 79 . 1 1 5 5 DC C6 C 13 141.604 0.000 . 1 . . . . . 5 C C6 . 27173 1 80 . 1 1 6 6 DG H1 H 1 11.915 0.009 . 1 . . . . . 6 G H1 . 27173 1 81 . 1 1 6 6 DG H1' H 1 6.243 0.005 . 1 . . . . . 6 G H1' . 27173 1 82 . 1 1 6 6 DG H2' H 1 2.476 0.011 . 2 . . . . . 6 G H2' . 27173 1 83 . 1 1 6 6 DG H2'' H 1 3.007 0.005 . 2 . . . . . 6 G H2'' . 27173 1 84 . 1 1 6 6 DG H3' H 1 5.235 0.012 . 1 . . . . . 6 G H3' . 27173 1 85 . 1 1 6 6 DG H4' H 1 4.510 0.012 . 1 . . . . . 6 G H4' . 27173 1 86 . 1 1 6 6 DG H5' H 1 4.357 0.017 . 2 . . . . . 6 G H5' . 27173 1 87 . 1 1 6 6 DG H5'' H 1 4.280 0.012 . 2 . . . . . 6 G H5'' . 27173 1 88 . 1 1 6 6 DG H8 H 1 8.117 0.003 . 1 . . . . . 6 G H8 . 27173 1 89 . 1 1 6 6 DG C1' C 13 84.855 0.000 . 1 . . . . . 6 G C1' . 27173 1 90 . 1 1 6 6 DG C2' C 13 41.698 0.010 . 2 . . . . . 6 G C2' . 27173 1 91 . 1 1 6 6 DG C3' C 13 77.892 0.000 . 1 . . . . . 6 G C3' . 27173 1 92 . 1 1 6 6 DG C4' C 13 85.644 0.000 . 1 . . . . . 6 G C4' . 27173 1 93 . 1 1 6 6 DG C5' C 13 65.660 0.000 . 1 . . . . . 6 G C5' . 27173 1 94 . 1 1 6 6 DG C8 C 13 135.451 0.000 . 1 . . . . . 6 G C8 . 27173 1 95 . 1 1 6 6 DG N1 N 15 143.274 0.000 . 1 . . . . . 6 G N1 . 27173 1 96 . 1 1 7 7 DG H1 H 1 11.337 0.006 . 1 . . . . . 7 G H1 . 27173 1 97 . 1 1 7 7 DG H1' H 1 6.331 0.002 . 1 . . . . . 7 G H1' . 27173 1 98 . 1 1 7 7 DG H2' H 1 2.757 0.007 . 2 . . . . . 7 G H2' . 27173 1 99 . 1 1 7 7 DG H2'' H 1 2.897 0.004 . 2 . . . . . 7 G H2'' . 27173 1 100 . 1 1 7 7 DG H3' H 1 5.221 0.011 . 1 . . . . . 7 G H3' . 27173 1 101 . 1 1 7 7 DG H4' H 1 4.703 0.005 . 1 . . . . . 7 G H4' . 27173 1 102 . 1 1 7 7 DG H5' H 1 4.389 0.000 . 2 . . . . . 7 G H5' . 27173 1 103 . 1 1 7 7 DG H5'' H 1 4.500 0.004 . 2 . . . . . 7 G H5'' . 27173 1 104 . 1 1 7 7 DG H8 H 1 8.019 0.004 . 1 . . . . . 7 G H8 . 27173 1 105 . 1 1 7 7 DG C1' C 13 83.204 0.000 . 1 . . . . . 7 G C1' . 27173 1 106 . 1 1 7 7 DG C2' C 13 40.257 0.019 . 2 . . . . . 7 G C2' . 27173 1 107 . 1 1 7 7 DG C3' C 13 78.063 0.000 . 1 . . . . . 7 G C3' . 27173 1 108 . 1 1 7 7 DG C5' C 13 65.160 0.000 . 1 . . . . . 7 G C5' . 27173 1 109 . 1 1 7 7 DG C8 C 13 136.130 0.000 . 1 . . . . . 7 G C8 . 27173 1 110 . 1 1 7 7 DG N1 N 15 142.892 0.000 . 1 . . . . . 7 G N1 . 27173 1 111 . 1 1 8 8 DT H1' H 1 5.832 0.004 . 1 . . . . . 8 T H1' . 27173 1 112 . 1 1 8 8 DT H2' H 1 2.221 0.002 . 2 . . . . . 8 T H2' . 27173 1 113 . 1 1 8 8 DT H2'' H 1 2.281 0.001 . 2 . . . . . 8 T H2'' . 27173 1 114 . 1 1 8 8 DT H3' H 1 4.697 0.000 . 1 . . . . . 8 T H3' . 27173 1 115 . 1 1 8 8 DT H4' H 1 4.447 0.008 . 1 . . . . . 8 T H4' . 27173 1 116 . 1 1 8 8 DT H5' H 1 4.385 0.006 . 2 . . . . . 8 T H5' . 27173 1 117 . 1 1 8 8 DT H5'' H 1 4.138 0.008 . 2 . . . . . 8 T H5'' . 27173 1 118 . 1 1 8 8 DT H6 H 1 7.469 0.003 . 1 . . . . . 8 T H6 . 27173 1 119 . 1 1 8 8 DT H71 H 1 1.829 0.002 . 1 . . . . . 8 T H71 . 27173 1 120 . 1 1 8 8 DT H72 H 1 1.829 0.002 . 1 . . . . . 8 T H72 . 27173 1 121 . 1 1 8 8 DT H73 H 1 1.829 0.002 . 1 . . . . . 8 T H73 . 27173 1 122 . 1 1 8 8 DT C1' C 13 83.760 0.000 . 1 . . . . . 8 T C1' . 27173 1 123 . 1 1 8 8 DT C2' C 13 37.222 0.006 . 2 . . . . . 8 T C2' . 27173 1 124 . 1 1 8 8 DT C4' C 13 83.428 0.000 . 1 . . . . . 8 T C4' . 27173 1 125 . 1 1 8 8 DT C5' C 13 64.709 0.000 . 1 . . . . . 8 T C5' . 27173 1 126 . 1 1 8 8 DT C6 C 13 136.982 0.000 . 1 . . . . . 8 T C6 . 27173 1 127 . 1 1 8 8 DT C7 C 13 11.968 0.000 . 1 . . . . . 8 T C7 . 27173 1 128 . 1 1 9 9 DG H1 H 1 11.252 0.007 . 1 . . . . . 9 G H1 . 27173 1 129 . 1 1 9 9 DG H1' H 1 6.507 0.003 . 1 . . . . . 9 G H1' . 27173 1 130 . 1 1 9 9 DG H2' H 1 2.533 0.006 . 2 . . . . . 9 G H2' . 27173 1 131 . 1 1 9 9 DG H2'' H 1 3.115 0.004 . 2 . . . . . 9 G H2'' . 27173 1 132 . 1 1 9 9 DG H3' H 1 5.047 0.016 . 1 . . . . . 9 G H3' . 27173 1 133 . 1 1 9 9 DG H4' H 1 4.711 0.002 . 1 . . . . . 9 G H4' . 27173 1 134 . 1 1 9 9 DG H5' H 1 4.457 0.010 . 2 . . . . . 9 G H5' . 27173 1 135 . 1 1 9 9 DG H5'' H 1 4.348 0.000 . 2 . . . . . 9 G H5'' . 27173 1 136 . 1 1 9 9 DG H8 H 1 7.719 0.004 . 1 . . . . . 9 G H8 . 27173 1 137 . 1 1 9 9 DG C1' C 13 83.701 0.000 . 1 . . . . . 9 G C1' . 27173 1 138 . 1 1 9 9 DG C2' C 13 40.291 0.024 . 2 . . . . . 9 G C2' . 27173 1 139 . 1 1 9 9 DG C3' C 13 77.354 0.000 . 1 . . . . . 9 G C3' . 27173 1 140 . 1 1 9 9 DG C5' C 13 66.584 0.012 . 2 . . . . . 9 G C5' . 27173 1 141 . 1 1 9 9 DG C8 C 13 135.522 0.000 . 1 . . . . . 9 G C8 . 27173 1 142 . 1 1 9 9 DG N1 N 15 143.314 0.000 . 1 . . . . . 9 G N1 . 27173 1 143 . 1 1 10 10 DT H1' H 1 6.594 0.004 . 1 . . . . . 10 T H1' . 27173 1 144 . 1 1 10 10 DT H2' H 1 2.581 0.003 . 2 . . . . . 10 T H2' . 27173 1 145 . 1 1 10 10 DT H2'' H 1 2.700 0.006 . 2 . . . . . 10 T H2'' . 27173 1 146 . 1 1 10 10 DT H3' H 1 5.229 0.011 . 1 . . . . . 10 T H3' . 27173 1 147 . 1 1 10 10 DT H4' H 1 4.646 0.006 . 1 . . . . . 10 T H4' . 27173 1 148 . 1 1 10 10 DT H5' H 1 4.366 0.010 . 2 . . . . . 10 T H5' . 27173 1 149 . 1 1 10 10 DT H5'' H 1 4.484 0.006 . 2 . . . . . 10 T H5'' . 27173 1 150 . 1 1 10 10 DT H6 H 1 8.023 0.004 . 1 . . . . . 10 T H6 . 27173 1 151 . 1 1 10 10 DT H71 H 1 2.024 0.004 . 1 . . . . . 10 T H71 . 27173 1 152 . 1 1 10 10 DT H72 H 1 2.024 0.004 . 1 . . . . . 10 T H72 . 27173 1 153 . 1 1 10 10 DT H73 H 1 2.024 0.004 . 1 . . . . . 10 T H73 . 27173 1 154 . 1 1 10 10 DT C1' C 13 85.556 0.000 . 1 . . . . . 10 T C1' . 27173 1 155 . 1 1 10 10 DT C2' C 13 38.694 0.009 . 2 . . . . . 10 T C2' . 27173 1 156 . 1 1 10 10 DT C3' C 13 73.836 0.000 . 1 . . . . . 10 T C3' . 27173 1 157 . 1 1 10 10 DT C4' C 13 84.788 0.000 . 1 . . . . . 10 T C4' . 27173 1 158 . 1 1 10 10 DT C5' C 13 65.826 0.000 . 1 . . . . . 10 T C5' . 27173 1 159 . 1 1 10 10 DT C6 C 13 137.698 0.000 . 1 . . . . . 10 T C6 . 27173 1 160 . 1 1 10 10 DT C7 C 13 11.962 0.000 . 1 . . . . . 10 T C7 . 27173 1 161 . 1 1 11 11 DG H1 H 1 11.950 0.003 . 1 . . . . . 11 G H1 . 27173 1 162 . 1 1 11 11 DG H1' H 1 6.228 0.004 . 1 . . . . . 11 G H1' . 27173 1 163 . 1 1 11 11 DG H2' H 1 2.665 0.002 . 2 . . . . . 11 G H2' . 27173 1 164 . 1 1 11 11 DG H2'' H 1 3.037 0.007 . 2 . . . . . 11 G H2'' . 27173 1 165 . 1 1 11 11 DG H3' H 1 5.179 0.002 . 1 . . . . . 11 G H3' . 27173 1 166 . 1 1 11 11 DG H4' H 1 4.527 0.008 . 1 . . . . . 11 G H4' . 27173 1 167 . 1 1 11 11 DG H5' H 1 4.361 0.002 . 1 . . . . . 11 G H5' . 27173 1 168 . 1 1 11 11 DG H5'' H 1 4.361 0.002 . 1 . . . . . 11 G H5'' . 27173 1 169 . 1 1 11 11 DG H8 H 1 8.195 0.003 . 1 . . . . . 11 G H8 . 27173 1 170 . 1 1 11 11 DG C1' C 13 85.328 0.000 . 1 . . . . . 11 G C1' . 27173 1 171 . 1 1 11 11 DG C2' C 13 41.054 0.008 . 2 . . . . . 11 G C2' . 27173 1 172 . 1 1 11 11 DG C3' C 13 75.684 0.000 . 1 . . . . . 11 G C3' . 27173 1 173 . 1 1 11 11 DG C4' C 13 84.659 0.000 . 1 . . . . . 11 G C4' . 27173 1 174 . 1 1 11 11 DG C5' C 13 66.569 0.000 . 1 . . . . . 11 G C5' . 27173 1 175 . 1 1 11 11 DG C8 C 13 135.837 0.000 . 1 . . . . . 11 G C8 . 27173 1 176 . 1 1 11 11 DG N1 N 15 143.383 0.000 . 1 . . . . . 11 G N1 . 27173 1 177 . 1 1 12 12 DG H1 H 1 11.520 0.005 . 1 . . . . . 12 G H1 . 27173 1 178 . 1 1 12 12 DG H1' H 1 6.067 0.007 . 1 . . . . . 12 G H1' . 27173 1 179 . 1 1 12 12 DG H2' H 1 2.670 0.009 . 2 . . . . . 12 G H2' . 27173 1 180 . 1 1 12 12 DG H2'' H 1 3.047 0.002 . 2 . . . . . 12 G H2'' . 27173 1 181 . 1 1 12 12 DG H3' H 1 5.172 0.010 . 1 . . . . . 12 G H3' . 27173 1 182 . 1 1 12 12 DG H4' H 1 4.935 0.015 . 1 . . . . . 12 G H4' . 27173 1 183 . 1 1 12 12 DG H5' H 1 4.335 0.003 . 2 . . . . . 12 G H5' . 27173 1 184 . 1 1 12 12 DG H5'' H 1 4.432 0.072 . 2 . . . . . 12 G H5'' . 27173 1 185 . 1 1 12 12 DG H8 H 1 7.994 0.004 . 1 . . . . . 12 G H8 . 27173 1 186 . 1 1 12 12 DG C1' C 13 81.831 0.000 . 1 . . . . . 12 G C1' . 27173 1 187 . 1 1 12 12 DG C2' C 13 41.052 0.000 . 1 . . . . . 12 G C2' . 27173 1 188 . 1 1 12 12 DG C3' C 13 75.529 0.000 . 1 . . . . . 12 G C3' . 27173 1 189 . 1 1 12 12 DG C4' C 13 75.274 0.000 . 1 . . . . . 12 G C4' . 27173 1 190 . 1 1 12 12 DG C5' C 13 66.771 0.000 . 1 . . . . . 12 G C5' . 27173 1 191 . 1 1 12 12 DG C8 C 13 136.169 0.000 . 1 . . . . . 12 G C8 . 27173 1 192 . 1 1 12 12 DG N1 N 15 143.092 0.000 . 1 . . . . . 12 G N1 . 27173 1 193 . 1 1 13 13 DG H1 H 1 11.216 0.005 . 1 . . . . . 13 G H1 . 27173 1 194 . 1 1 13 13 DG H1' H 1 6.359 0.006 . 1 . . . . . 13 G H1' . 27173 1 195 . 1 1 13 13 DG H2' H 1 2.512 0.008 . 2 . . . . . 13 G H2' . 27173 1 196 . 1 1 13 13 DG H2'' H 1 2.673 0.003 . 2 . . . . . 13 G H2'' . 27173 1 197 . 1 1 13 13 DG H3' H 1 4.785 0.000 . 1 . . . . . 13 G H3' . 27173 1 198 . 1 1 13 13 DG H4' H 1 3.900 0.010 . 1 . . . . . 13 G H4' . 27173 1 199 . 1 1 13 13 DG H5' H 1 3.371 0.021 . 2 . . . . . 13 G H5' . 27173 1 200 . 1 1 13 13 DG H5'' H 1 3.080 0.003 . 2 . . . . . 13 G H5'' . 27173 1 201 . 1 1 13 13 DG H8 H 1 7.762 0.007 . 1 . . . . . 13 G H8 . 27173 1 202 . 1 1 13 13 DG C1' C 13 82.739 0.000 . 1 . . . . . 13 G C1' . 27173 1 203 . 1 1 13 13 DG C2' C 13 37.959 0.009 . 2 . . . . . 13 G C2' . 27173 1 204 . 1 1 13 13 DG C3' C 13 76.864 0.000 . 1 . . . . . 13 G C3' . 27173 1 205 . 1 1 13 13 DG C4' C 13 85.063 0.000 . 1 . . . . . 13 G C4' . 27173 1 206 . 1 1 13 13 DG C5' C 13 65.447 0.000 . 1 . . . . . 13 G C5' . 27173 1 207 . 1 1 13 13 DG C8 C 13 135.540 0.000 . 1 . . . . . 13 G C8 . 27173 1 208 . 1 1 13 13 DG N1 N 15 142.742 0.000 . 1 . . . . . 13 G N1 . 27173 1 209 . 1 1 14 14 DA H1' H 1 6.310 0.005 . 1 . . . . . 14 A H1' . 27173 1 210 . 1 1 14 14 DA H2 H 1 8.132 0.000 . 1 . . . . . 14 A H2 . 27173 1 211 . 1 1 14 14 DA H2' H 1 2.750 0.005 . 2 . . . . . 14 A H2' . 27173 1 212 . 1 1 14 14 DA H2'' H 1 2.812 0.020 . 2 . . . . . 14 A H2'' . 27173 1 213 . 1 1 14 14 DA H3' H 1 4.948 0.005 . 1 . . . . . 14 A H3' . 27173 1 214 . 1 1 14 14 DA H4' H 1 4.400 0.008 . 1 . . . . . 14 A H4' . 27173 1 215 . 1 1 14 14 DA H5' H 1 4.173 0.004 . 2 . . . . . 14 A H5' . 27173 1 216 . 1 1 14 14 DA H5'' H 1 4.058 0.014 . 2 . . . . . 14 A H5'' . 27173 1 217 . 1 1 14 14 DA H8 H 1 8.282 0.001 . 1 . . . . . 14 A H8 . 27173 1 218 . 1 1 14 14 DA C1' C 13 83.252 0.000 . 1 . . . . . 14 A C1' . 27173 1 219 . 1 1 14 14 DA C2 C 13 153.077 0.000 . 1 . . . . . 14 A C2 . 27173 1 220 . 1 1 14 14 DA C2' C 13 37.240 0.015 . 2 . . . . . 14 A C2' . 27173 1 221 . 1 1 14 14 DA C3' C 13 75.953 0.000 . 1 . . . . . 14 A C3' . 27173 1 222 . 1 1 14 14 DA C4' C 13 84.653 0.000 . 1 . . . . . 14 A C4' . 27173 1 223 . 1 1 14 14 DA C5' C 13 66.553 0.005 . 2 . . . . . 14 A C5' . 27173 1 224 . 1 1 14 14 DA C8 C 13 139.541 0.000 . 1 . . . . . 14 A C8 . 27173 1 225 . 1 1 15 15 DA H1' H 1 6.499 0.007 . 1 . . . . . 15 A H1' . 27173 1 226 . 1 1 15 15 DA H2 H 1 8.000 0.000 . 1 . . . . . 15 A H2 . 27173 1 227 . 1 1 15 15 DA H2' H 1 2.860 0.005 . 2 . . . . . 15 A H2' . 27173 1 228 . 1 1 15 15 DA H2'' H 1 3.003 0.003 . 2 . . . . . 15 A H2'' . 27173 1 229 . 1 1 15 15 DA H3' H 1 5.141 0.003 . 1 . . . . . 15 A H3' . 27173 1 230 . 1 1 15 15 DA H4' H 1 4.567 0.010 . 1 . . . . . 15 A H4' . 27173 1 231 . 1 1 15 15 DA H5' H 1 4.332 0.000 . 2 . . . . . 15 A H5' . 27173 1 232 . 1 1 15 15 DA H5'' H 1 4.162 0.000 . 2 . . . . . 15 A H5'' . 27173 1 233 . 1 1 15 15 DA H8 H 1 8.503 0.003 . 1 . . . . . 15 A H8 . 27173 1 234 . 1 1 15 15 DA C1' C 13 87.218 0.000 . 1 . . . . . 15 A C1' . 27173 1 235 . 1 1 15 15 DA C2 C 13 152.750 0.000 . 1 . . . . . 15 A C2 . 27173 1 236 . 1 1 15 15 DA C2' C 13 38.689 0.033 . 2 . . . . . 15 A C2' . 27173 1 237 . 1 1 15 15 DA C3' C 13 75.944 0.000 . 1 . . . . . 15 A C3' . 27173 1 238 . 1 1 15 15 DA C4' C 13 84.461 0.000 . 1 . . . . . 15 A C4' . 27173 1 239 . 1 1 15 15 DA C5' C 13 65.485 0.016 . 2 . . . . . 15 A C5' . 27173 1 240 . 1 1 15 15 DA C8 C 13 140.012 0.000 . 1 . . . . . 15 A C8 . 27173 1 241 . 1 1 16 16 DT H1' H 1 6.110 0.004 . 1 . . . . . 16 T H1' . 27173 1 242 . 1 1 16 16 DT H2' H 1 1.733 0.003 . 2 . . . . . 16 T H2' . 27173 1 243 . 1 1 16 16 DT H2'' H 1 2.196 0.007 . 2 . . . . . 16 T H2'' . 27173 1 244 . 1 1 16 16 DT H3' H 1 5.141 0.001 . 1 . . . . . 16 T H3' . 27173 1 245 . 1 1 16 16 DT H4' H 1 4.822 0.001 . 1 . . . . . 16 T H4' . 27173 1 246 . 1 1 16 16 DT H5' H 1 4.144 0.001 . 2 . . . . . 16 T H5' . 27173 1 247 . 1 1 16 16 DT H5'' H 1 4.306 0.005 . 2 . . . . . 16 T H5'' . 27173 1 248 . 1 1 16 16 DT H6 H 1 7.573 0.003 . 1 . . . . . 16 T H6 . 27173 1 249 . 1 1 16 16 DT H71 H 1 1.949 0.003 . 1 . . . . . 16 T H71 . 27173 1 250 . 1 1 16 16 DT H72 H 1 1.949 0.003 . 1 . . . . . 16 T H72 . 27173 1 251 . 1 1 16 16 DT H73 H 1 1.949 0.003 . 1 . . . . . 16 T H73 . 27173 1 252 . 1 1 16 16 DT C1' C 13 85.079 0.000 . 1 . . . . . 16 T C1' . 27173 1 253 . 1 1 16 16 DT C2' C 13 37.729 0.008 . 2 . . . . . 16 T C2' . 27173 1 254 . 1 1 16 16 DT C5' C 13 65.781 0.099 . 2 . . . . . 16 T C5' . 27173 1 255 . 1 1 16 16 DT C6 C 13 136.722 0.000 . 1 . . . . . 16 T C6 . 27173 1 256 . 1 1 16 16 DT C7 C 13 11.972 0.000 . 1 . . . . . 16 T C7 . 27173 1 257 . 1 1 17 17 DA H1' H 1 6.286 0.003 . 1 . . . . . 17 A H1' . 27173 1 258 . 1 1 17 17 DA H2 H 1 7.809 0.000 . 1 . . . . . 17 A H2 . 27173 1 259 . 1 1 17 17 DA H2' H 1 2.799 0.007 . 2 . . . . . 17 A H2' . 27173 1 260 . 1 1 17 17 DA H2'' H 1 2.864 0.006 . 2 . . . . . 17 A H2'' . 27173 1 261 . 1 1 17 17 DA H3' H 1 5.112 0.006 . 1 . . . . . 17 A H3' . 27173 1 262 . 1 1 17 17 DA H4' H 1 4.387 0.005 . 1 . . . . . 17 A H4' . 27173 1 263 . 1 1 17 17 DA H5' H 1 4.125 0.004 . 2 . . . . . 17 A H5' . 27173 1 264 . 1 1 17 17 DA H5'' H 1 3.997 0.007 . 2 . . . . . 17 A H5'' . 27173 1 265 . 1 1 17 17 DA H8 H 1 8.132 0.002 . 1 . . . . . 17 A H8 . 27173 1 266 . 1 1 17 17 DA C1' C 13 82.763 0.000 . 1 . . . . . 17 A C1' . 27173 1 267 . 1 1 17 17 DA C2 C 13 152.404 0.000 . 1 . . . . . 17 A C2 . 27173 1 268 . 1 1 17 17 DA C2' C 13 37.932 0.022 . 2 . . . . . 17 A C2' . 27173 1 269 . 1 1 17 17 DA C3' C 13 76.663 0.000 . 1 . . . . . 17 A C3' . 27173 1 270 . 1 1 17 17 DA C4' C 13 85.329 0.000 . 1 . . . . . 17 A C4' . 27173 1 271 . 1 1 17 17 DA C5' C 13 65.602 0.000 . 1 . . . . . 17 A C5' . 27173 1 272 . 1 1 17 17 DA C8 C 13 139.368 0.000 . 1 . . . . . 17 A C8 . 27173 1 273 . 1 1 18 18 DG H1 H 1 11.483 0.003 . 1 . . . . . 18 G H1 . 27173 1 274 . 1 1 18 18 DG H1' H 1 6.142 0.005 . 1 . . . . . 18 G H1' . 27173 1 275 . 1 1 18 18 DG H2' H 1 2.753 0.006 . 2 . . . . . 18 G H2' . 27173 1 276 . 1 1 18 18 DG H2'' H 1 3.005 0.004 . 2 . . . . . 18 G H2'' . 27173 1 277 . 1 1 18 18 DG H3' H 1 5.097 0.006 . 1 . . . . . 18 G H3' . 27173 1 278 . 1 1 18 18 DG H4' H 1 4.537 0.005 . 1 . . . . . 18 G H4' . 27173 1 279 . 1 1 18 18 DG H5' H 1 4.259 0.014 . 1 . . . . . 18 G H5' . 27173 1 280 . 1 1 18 18 DG H5'' H 1 4.259 0.014 . 1 . . . . . 18 G H5'' . 27173 1 281 . 1 1 18 18 DG H8 H 1 8.201 0.003 . 1 . . . . . 18 G H8 . 27173 1 282 . 1 1 18 18 DG C1' C 13 82.749 0.000 . 1 . . . . . 18 G C1' . 27173 1 283 . 1 1 18 18 DG C2' C 13 38.928 0.024 . 2 . . . . . 18 G C2' . 27173 1 284 . 1 1 18 18 DG C3' C 13 76.430 0.000 . 1 . . . . . 18 G C3' . 27173 1 285 . 1 1 18 18 DG C4' C 13 84.872 0.000 . 1 . . . . . 18 G C4' . 27173 1 286 . 1 1 18 18 DG C5' C 13 66.101 0.000 . 1 . . . . . 18 G C5' . 27173 1 287 . 1 1 18 18 DG C8 C 13 135.887 0.000 . 1 . . . . . 18 G C8 . 27173 1 288 . 1 1 18 18 DG N1 N 15 143.433 0.000 . 1 . . . . . 18 G N1 . 27173 1 289 . 1 1 19 19 DG H1 H 1 11.357 0.003 . 1 . . . . . 19 G H1 . 27173 1 290 . 1 1 19 19 DG H1' H 1 6.125 0.015 . 1 . . . . . 19 G H1' . 27173 1 291 . 1 1 19 19 DG H2' H 1 2.789 0.002 . 2 . . . . . 19 G H2' . 27173 1 292 . 1 1 19 19 DG H2'' H 1 3.002 0.000 . 2 . . . . . 19 G H2'' . 27173 1 293 . 1 1 19 19 DG H3' H 1 5.117 0.008 . 1 . . . . . 19 G H3' . 27173 1 294 . 1 1 19 19 DG H5' H 1 4.586 0.000 . 2 . . . . . 19 G H5' . 27173 1 295 . 1 1 19 19 DG H5'' H 1 4.337 0.004 . 2 . . . . . 19 G H5'' . 27173 1 296 . 1 1 19 19 DG H8 H 1 7.955 0.007 . 1 . . . . . 19 G H8 . 27173 1 297 . 1 1 19 19 DG C1' C 13 82.555 0.000 . 1 . . . . . 19 G C1' . 27173 1 298 . 1 1 19 19 DG C2' C 13 38.914 0.031 . 2 . . . . . 19 G C2' . 27173 1 299 . 1 1 19 19 DG C3' C 13 76.655 0.000 . 1 . . . . . 19 G C3' . 27173 1 300 . 1 1 19 19 DG C4' C 13 84.668 0.000 . 1 . . . . . 19 G C4' . 27173 1 301 . 1 1 19 19 DG C5' C 13 70.051 0.000 . 1 . . . . . 19 G C5' . 27173 1 302 . 1 1 19 19 DG C8 C 13 135.250 0.000 . 1 . . . . . 19 G C8 . 27173 1 303 . 1 1 19 19 DG N1 N 15 143.057 0.000 . 1 . . . . . 19 G N1 . 27173 1 304 . 1 1 20 20 DG H1 H 1 10.880 0.005 . 1 . . . . . 20 G H1 . 27173 1 305 . 1 1 20 20 DG H1' H 1 6.068 0.016 . 1 . . . . . 20 G H1' . 27173 1 306 . 1 1 20 20 DG H2' H 1 2.519 0.006 . 2 . . . . . 20 G H2' . 27173 1 307 . 1 1 20 20 DG H2'' H 1 2.780 0.009 . 2 . . . . . 20 G H2'' . 27173 1 308 . 1 1 20 20 DG H3' H 1 4.991 0.006 . 1 . . . . . 20 G H3' . 27173 1 309 . 1 1 20 20 DG H4' H 1 4.464 0.099 . 1 . . . . . 20 G H4' . 27173 1 310 . 1 1 20 20 DG H5' H 1 4.333 0.010 . 2 . . . . . 20 G H5' . 27173 1 311 . 1 1 20 20 DG H5'' H 1 4.169 0.005 . 2 . . . . . 20 G H5'' . 27173 1 312 . 1 1 20 20 DG H8 H 1 7.656 0.005 . 1 . . . . . 20 G H8 . 27173 1 313 . 1 1 20 20 DG C1' C 13 82.270 0.000 . 1 . . . . . 20 G C1' . 27173 1 314 . 1 1 20 20 DG C2' C 13 37.266 0.010 . 2 . . . . . 20 G C2' . 27173 1 315 . 1 1 20 20 DG C3' C 13 76.633 0.000 . 1 . . . . . 20 G C3' . 27173 1 316 . 1 1 20 20 DG C4' C 13 84.426 0.000 . 1 . . . . . 20 G C4' . 27173 1 317 . 1 1 20 20 DG C5' C 13 66.074 0.023 . 2 . . . . . 20 G C5' . 27173 1 318 . 1 1 20 20 DG C8 C 13 134.631 0.000 . 1 . . . . . 20 G C8 . 27173 1 319 . 1 1 20 20 DG N1 N 15 143.273 0.000 . 1 . . . . . 20 G N1 . 27173 1 320 . 1 1 21 21 DA H1' H 1 6.008 0.007 . 1 . . . . . 21 A H1' . 27173 1 321 . 1 1 21 21 DA H2 H 1 7.920 0.000 . 1 . . . . . 21 A H2 . 27173 1 322 . 1 1 21 21 DA H2' H 1 2.389 0.009 . 2 . . . . . 21 A H2' . 27173 1 323 . 1 1 21 21 DA H2'' H 1 2.530 0.006 . 2 . . . . . 21 A H2'' . 27173 1 324 . 1 1 21 21 DA H3' H 1 4.867 0.007 . 1 . . . . . 21 A H3' . 27173 1 325 . 1 1 21 21 DA H4' H 1 4.335 0.008 . 1 . . . . . 21 A H4' . 27173 1 326 . 1 1 21 21 DA H5' H 1 4.165 0.010 . 1 . . . . . 21 A H5' . 27173 1 327 . 1 1 21 21 DA H5'' H 1 4.165 0.010 . 1 . . . . . 21 A H5'' . 27173 1 328 . 1 1 21 21 DA H8 H 1 7.853 0.003 . 1 . . . . . 21 A H8 . 27173 1 329 . 1 1 21 21 DA C1' C 13 82.520 0.000 . 1 . . . . . 21 A C1' . 27173 1 330 . 1 1 21 21 DA C2 C 13 152.471 0.000 . 1 . . . . . 21 A C2 . 27173 1 331 . 1 1 21 21 DA C2' C 13 37.266 0.010 . 2 . . . . . 21 A C2' . 27173 1 332 . 1 1 21 21 DA C3' C 13 76.633 0.000 . 1 . . . . . 21 A C3' . 27173 1 333 . 1 1 21 21 DA C4' C 13 84.426 0.000 . 1 . . . . . 21 A C4' . 27173 1 334 . 1 1 21 21 DA C5' C 13 66.074 0.023 . 2 . . . . . 21 A C5' . 27173 1 335 . 1 1 21 21 DA C8 C 13 138.509 0.000 . 1 . . . . . 21 A C8 . 27173 1 336 . 1 1 22 22 DA H1' H 1 6.095 0.005 . 1 . . . . . 22 A H1' . 27173 1 337 . 1 1 22 22 DA H2 H 1 7.890 0.000 . 1 . . . . . 22 A H2 . 27173 1 338 . 1 1 22 22 DA H2' H 1 2.362 0.006 . 2 . . . . . 22 A H2' . 27173 1 339 . 1 1 22 22 DA H2'' H 1 2.480 0.002 . 2 . . . . . 22 A H2'' . 27173 1 340 . 1 1 22 22 DA H3' H 1 4.894 0.010 . 1 . . . . . 22 A H3' . 27173 1 341 . 1 1 22 22 DA H4' H 1 4.577 0.010 . 1 . . . . . 22 A H4' . 27173 1 342 . 1 1 22 22 DA H5' H 1 4.108 0.041 . 2 . . . . . 22 A H5' . 27173 1 343 . 1 1 22 22 DA H5'' H 1 4.064 0.014 . 2 . . . . . 22 A H5'' . 27173 1 344 . 1 1 22 22 DA H8 H 1 7.993 0.003 . 1 . . . . . 22 A H8 . 27173 1 345 . 1 1 22 22 DA C1' C 13 82.030 0.000 . 1 . . . . . 22 A C1' . 27173 1 346 . 1 1 22 22 DA C2 C 13 152.458 0.000 . 1 . . . . . 22 A C2 . 27173 1 347 . 1 1 22 22 DA C2' C 13 39.582 0.005 . 2 . . . . . 22 A C2' . 27173 1 348 . 1 1 22 22 DA C3' C 13 76.202 0.000 . 1 . . . . . 22 A C3' . 27173 1 349 . 1 1 22 22 DA C4' C 13 84.620 0.000 . 1 . . . . . 22 A C4' . 27173 1 350 . 1 1 22 22 DA C5' C 13 64.660 0.000 . 1 . . . . . 22 A C5' . 27173 1 351 . 1 1 22 22 DA C8 C 13 139.073 0.000 . 1 . . . . . 22 A C8 . 27173 1 stop_ save_