################################### # 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 19592 _Assigned_chem_shift_list.ID 1 _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 $chemical_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-1H NOESY' 1 $sample_1 . 19592 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.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 5.844 0.005 . 1 . . . A 1 DA H1' . 19592 1 2 . 1 1 1 1 DA H2' H 1 2.272 0.000 . 1 . . . A 1 DA H2' . 19592 1 3 . 1 1 1 1 DA H2'' H 1 2.459 0.004 . 1 . . . A 1 DA H2'' . 19592 1 4 . 1 1 1 1 DA H3' H 1 4.697 0.000 . 1 . . . A 1 DA H3' . 19592 1 5 . 1 1 1 1 DA H4' H 1 4.255 0.009 . 1 . . . A 1 DA H4' . 19592 1 6 . 1 1 1 1 DA H5' H 1 3.954 0.000 . 1 . . . A 1 DA H5' . 19592 1 7 . 1 1 1 1 DA H5'' H 1 4.076 0.000 . 1 . . . A 1 DA H5'' . 19592 1 8 . 1 1 1 1 DA H8 H 1 7.867 0.001 . 1 . . . A 1 DA H8 . 19592 1 9 . 1 1 2 2 DG H1 H 1 12.693 0.000 . 1 . . . A 2 DG H1 . 19592 1 10 . 1 1 2 2 DG H1' H 1 5.474 0.001 . 1 . . . A 2 DG H1' . 19592 1 11 . 1 1 2 2 DG H2' H 1 2.605 0.003 . 1 . . . A 2 DG H2' . 19592 1 12 . 1 1 2 2 DG H2'' H 1 2.65 0.003 . 1 . . . A 2 DG H2'' . 19592 1 13 . 1 1 2 2 DG H3' H 1 4.864 0.000 . 1 . . . A 2 DG H3' . 19592 1 14 . 1 1 2 2 DG H4' H 1 4.259 0.000 . 1 . . . A 2 DG H4' . 19592 1 15 . 1 1 2 2 DG H5' H 1 3.979 0.000 . 1 . . . A 2 DG H5' . 19592 1 16 . 1 1 2 2 DG H5'' H 1 4.089 0.000 . 1 . . . A 2 DG H5'' . 19592 1 17 . 1 1 2 2 DG H8 H 1 7.74 0.002 . 1 . . . A 2 DG H8 . 19592 1 18 . 1 1 2 2 DG H22 H 1 7.957 0.000 . 1 . . . A 2 DG H22 . 19592 1 19 . 1 1 3 3 DG H1 H 1 12.748 0.000 . 1 . . . A 3 DG H1 . 19592 1 20 . 1 1 3 3 DG H1' H 1 5.91 0.001 . 1 . . . A 3 DG H1' . 19592 1 21 . 1 1 3 3 DG H2' H 1 2.454 0.002 . 1 . . . A 3 DG H2' . 19592 1 22 . 1 1 3 3 DG H2'' H 1 2.677 0.002 . 1 . . . A 3 DG H2'' . 19592 1 23 . 1 1 3 3 DG H3' H 1 4.792 0.000 . 1 . . . A 3 DG H3' . 19592 1 24 . 1 1 3 3 DG H4' H 1 4.329 0.001 . 1 . . . A 3 DG H4' . 19592 1 25 . 1 1 3 3 DG H5' H 1 3.975 0.000 . 1 . . . A 3 DG H5' . 19592 1 26 . 1 1 3 3 DG H5'' H 1 4.1 0.000 . 1 . . . A 3 DG H5'' . 19592 1 27 . 1 1 3 3 DG H8 H 1 7.594 0.003 . 1 . . . A 3 DG H8 . 19592 1 28 . 1 1 3 3 DG H22 H 1 8.366 0.000 . 1 . . . A 3 DG H22 . 19592 1 29 . 1 1 4 4 DT H71 H 1 1.192 0.004 . 1 . . . A 4 DT HMe . 19592 1 30 . 1 1 4 4 DT H72 H 1 1.192 0.004 . 1 . . . A 4 DT HMe . 19592 1 31 . 1 1 4 4 DT H73 H 1 1.192 0.004 . 1 . . . A 4 DT HMe . 19592 1 32 . 1 1 4 4 DT H1' H 1 5.957 0.001 . 1 . . . A 4 DT H1' . 19592 1 33 . 1 1 4 4 DT H2' H 1 2.009 0.001 . 1 . . . A 4 DT H2' . 19592 1 34 . 1 1 4 4 DT H2'' H 1 2.408 0.004 . 1 . . . A 4 DT H2'' . 19592 1 35 . 1 1 4 4 DT H3' H 1 4.776 0.000 . 1 . . . A 4 DT H3' . 19592 1 36 . 1 1 4 4 DT H4' H 1 4.141 0.003 . 1 . . . A 4 DT H4' . 19592 1 37 . 1 1 4 4 DT H5' H 1 4.046 0.000 . 1 . . . A 4 DT H5' . 19592 1 38 . 1 1 4 4 DT H5'' H 1 4.128 0.000 . 1 . . . A 4 DT H5'' . 19592 1 39 . 1 1 4 4 DT H6 H 1 7.159 0.000 . 1 . . . A 4 DT H6 . 19592 1 40 . 1 1 5 5 DC H1' H 1 5.416 0.000 . 1 . . . A 5 DC H1' . 19592 1 41 . 1 1 5 5 DC H2' H 1 1.954 0.004 . 1 . . . A 5 DC H2' . 19592 1 42 . 1 1 5 5 DC H2'' H 1 2.272 0.004 . 1 . . . A 5 DC H2'' . 19592 1 43 . 1 1 5 5 DC H3' H 1 4.749 0.000 . 1 . . . A 5 DC H3' . 19592 1 44 . 1 1 5 5 DC H4' H 1 4.138 0.001 . 1 . . . A 5 DC H4' . 19592 1 45 . 1 1 5 5 DC H5 H 1 5.558 0.002 . 1 . . . A 5 DC H5 . 19592 1 46 . 1 1 5 5 DC H5' H 1 3.985 0.000 . 1 . . . A 5 DC H5' . 19592 1 47 . 1 1 5 5 DC H5'' H 1 4.033 0.000 . 1 . . . A 5 DC H5'' . 19592 1 48 . 1 1 5 5 DC H6 H 1 7.404 0.002 . 1 . . . A 5 DC H6 . 19592 1 49 . 1 1 6 6 DA H1' H 1 6.049 0.004 . 1 . . . A 6 DA H1' . 19592 1 50 . 1 1 6 6 DA H2 H 1 7.543 0.000 . 1 . . . A 6 DA H2 . 19592 1 51 . 1 1 6 6 DA H2' H 1 2.599 0.004 . 1 . . . A 6 DA H2' . 19592 1 52 . 1 1 6 6 DA H2'' H 1 2.749 0.005 . 1 . . . A 6 DA H2'' . 19592 1 53 . 1 1 6 6 DA H3' H 1 4.828 0.096 . 1 . . . A 6 DA H3' . 19592 1 54 . 1 1 6 6 DA H4' H 1 4.313 0.006 . 1 . . . A 6 DA H4' . 19592 1 55 . 1 1 6 6 DA H5' H 1 3.976 0.000 . 1 . . . A 6 DA H5' . 19592 1 56 . 1 1 6 6 DA H5'' H 1 4.026 0.000 . 1 . . . A 6 DA H5'' . 19592 1 57 . 1 1 6 6 DA H8 H 1 8.159 0.002 . 1 . . . A 6 DA H8 . 19592 1 58 . 1 1 7 7 DC H1' H 1 5.432 0.002 . 1 . . . A 7 DC H1' . 19592 1 59 . 1 1 7 7 DC H2' H 1 2.154 0.001 . 1 . . . A 7 DC H2' . 19592 1 60 . 1 1 7 7 DC H2'' H 1 1.713 0.003 . 1 . . . A 7 DC H2'' . 19592 1 61 . 1 1 7 7 DC H3' H 1 4.907 0.000 . 1 . . . A 7 DC H3' . 19592 1 62 . 1 1 7 7 DC H4' H 1 3.999 0.001 . 1 . . . A 7 DC H4' . 19592 1 63 . 1 1 7 7 DC H5 H 1 5.129 0.002 . 1 . . . A 7 DC H5 . 19592 1 64 . 1 1 7 7 DC H5' H 1 4.013 0.000 . 1 . . . A 7 DC H5' . 19592 1 65 . 1 1 7 7 DC H5'' H 1 4.116 0.000 . 1 . . . A 7 DC H5'' . 19592 1 66 . 1 1 7 7 DC H6 H 1 7.049 0.002 . 1 . . . A 7 DC H6 . 19592 1 67 . 1 1 8 8 DG H1 H 1 12.779 0.000 . 1 . . . A 8 DG H1 . 19592 1 68 . 1 1 8 8 DG H1' H 1 5.515 0.001 . 1 . . . A 8 DG H1' . 19592 1 69 . 1 1 8 8 DG H2' H 1 2.548 0.003 . 1 . . . A 8 DG H2' . 19592 1 70 . 1 1 8 8 DG H2'' H 1 2.617 0.001 . 1 . . . A 8 DG H2'' . 19592 1 71 . 1 1 8 8 DG H3' H 1 4.851 0.002 . 1 . . . A 8 DG H3' . 19592 1 72 . 1 1 8 8 DG H4' H 1 4.205 0.001 . 1 . . . A 8 DG H4' . 19592 1 73 . 1 1 8 8 DG H5'' H 1 3.939 0.049 . 1 . . . A 8 DG H5'' . 19592 1 74 . 1 1 8 8 DG H8 H 1 7.682 0.004 . 1 . . . A 8 DG H8 . 19592 1 75 . 1 1 8 8 DG H22 H 1 8.288 0.000 . 1 . . . A 8 DG H22 . 19592 1 76 . 1 1 9 9 DG H1 H 1 12.654 0.000 . 1 . . . A 9 DG H1 . 19592 1 77 . 1 1 9 9 DG H1' H 1 5.809 0.004 . 1 . . . A 9 DG H1' . 19592 1 78 . 1 1 9 9 DG H2' H 1 2.369 0.001 . 1 . . . A 9 DG H2' . 19592 1 79 . 1 1 9 9 DG H2'' H 1 2.605 0.006 . 1 . . . A 9 DG H2'' . 19592 1 80 . 1 1 9 9 DG H3' H 1 4.784 0.000 . 1 . . . A 9 DG H3' . 19592 1 81 . 1 1 9 9 DG H4' H 1 4.268 0.004 . 1 . . . A 9 DG H4' . 19592 1 82 . 1 1 9 9 DG H5' H 1 3.987 0.000 . 1 . . . A 9 DG H5' . 19592 1 83 . 1 1 9 9 DG H5'' H 1 4.062 0.000 . 1 . . . A 9 DG H5'' . 19592 1 84 . 1 1 9 9 DG H8 H 1 7.517 0.001 . 1 . . . A 9 DG H8 . 19592 1 85 . 1 1 9 9 DG H22 H 1 7.925 0.000 . 1 . . . A 9 DG H22 . 19592 1 86 . 1 1 10 10 DT H71 H 1 1.217 0.003 . 1 . . . A 10 DT HMe . 19592 1 87 . 1 1 10 10 DT H72 H 1 1.217 0.003 . 1 . . . A 10 DT HMe . 19592 1 88 . 1 1 10 10 DT H73 H 1 1.217 0.003 . 1 . . . A 10 DT HMe . 19592 1 89 . 1 1 10 10 DT H1' H 1 5.647 0.004 . 1 . . . A 10 DT H1' . 19592 1 90 . 1 1 10 10 DT H2' H 1 1.815 0.004 . 1 . . . A 10 DT H2' . 19592 1 91 . 1 1 10 10 DT H2'' H 1 2.252 0.001 . 1 . . . A 10 DT H2'' . 19592 1 92 . 1 1 10 10 DT H3' H 1 4.728 0.000 . 1 . . . A 10 DT H3' . 19592 1 93 . 1 1 10 10 DT H4' H 1 4.024 0.002 . 1 . . . A 10 DT H4' . 19592 1 94 . 1 1 10 10 DT H5' H 1 4.004 0.000 . 1 . . . A 10 DT H5' . 19592 1 95 . 1 1 10 10 DT H5'' H 1 4.076 0.000 . 1 . . . A 10 DT H5'' . 19592 1 96 . 1 1 10 10 DT H6 H 1 6.973 0.003 . 1 . . . A 10 DT H6 . 19592 1 97 . 1 1 11 11 DG H1 H 1 12.724 0.000 . 1 . . . A 11 DG H1 . 19592 1 98 . 1 1 11 11 DG H1' H 1 5.521 0.002 . 1 . . . A 11 DG H1' . 19592 1 99 . 1 1 11 11 DG H2' H 1 2.503 0.003 . 1 . . . A 11 DG H2' . 19592 1 100 . 1 1 11 11 DG H2'' H 1 2.569 0.002 . 1 . . . A 11 DG H2'' . 19592 1 101 . 1 1 11 11 DG H3' H 1 4.874 0.000 . 1 . . . A 11 DG H3' . 19592 1 102 . 1 1 11 11 DG H4' H 1 4.221 0.004 . 1 . . . A 11 DG H4' . 19592 1 103 . 1 1 11 11 DG H5' H 1 4.025 0.000 . 1 . . . A 11 DG H5' . 19592 1 104 . 1 1 11 11 DG H5'' H 1 4.074 0.000 . 1 . . . A 11 DG H5'' . 19592 1 105 . 1 1 11 11 DG H8 H 1 7.704 0.004 . 1 . . . A 11 DG H8 . 19592 1 106 . 1 1 11 11 DG H22 H 1 8.304 0.000 . 1 . . . A 11 DG H22 . 19592 1 107 . 1 1 12 12 DG H1 H 1 12.843 0.000 . 1 . . . A 12 DG H1 . 19592 1 108 . 1 1 12 12 DG H1' H 1 5.79 0.005 . 1 . . . A 12 DG H1' . 19592 1 109 . 1 1 12 12 DG H2' H 1 2.463 0.005 . 1 . . . A 12 DG H2' . 19592 1 110 . 1 1 12 12 DG H2'' H 1 2.601 0.003 . 1 . . . A 12 DG H2'' . 19592 1 111 . 1 1 12 12 DG H3' H 1 4.854 0.000 . 1 . . . A 12 DG H3' . 19592 1 112 . 1 1 12 12 DG H4' H 1 4.296 0.001 . 1 . . . A 12 DG H4' . 19592 1 113 . 1 1 12 12 DG H5' H 1 3.946 0.000 . 1 . . . A 12 DG H5' . 19592 1 114 . 1 1 12 12 DG H5'' H 1 4.079 0.000 . 1 . . . A 12 DG H5'' . 19592 1 115 . 1 1 12 12 DG H8 H 1 7.622 0.002 . 1 . . . A 12 DG H8 . 19592 1 116 . 1 1 12 12 DG H22 H 1 8.032 0.000 . 1 . . . A 12 DG H22 . 19592 1 117 . 1 1 13 13 DC H1' H 1 5.823 0.003 . 1 . . . A 13 DC H1' . 19592 1 118 . 1 1 13 13 DC H2' H 1 1.877 0.001 . 1 . . . A 13 DC H2' . 19592 1 119 . 1 1 13 13 DC H2'' H 1 2.269 0.004 . 1 . . . A 13 DC H2'' . 19592 1 120 . 1 1 13 13 DC H3' H 1 4.676 0.000 . 1 . . . A 13 DC H3' . 19592 1 121 . 1 1 13 13 DC H4' H 1 4.304 0.005 . 1 . . . A 13 DC H4' . 19592 1 122 . 1 1 13 13 DC H5 H 1 5.221 0.000 . 1 . . . A 13 DC H5 . 19592 1 123 . 1 1 13 13 DC H5' H 1 4.025 0.000 . 1 . . . A 13 DC H5' . 19592 1 124 . 1 1 13 13 DC H5'' H 1 4.025 0.000 . 1 . . . A 13 DC H5'' . 19592 1 125 . 1 1 13 13 DC H6 H 1 7.24 0.002 . 1 . . . A 13 DC H6 . 19592 1 126 . 1 1 14 14 DC H1' H 1 5.7 0.003 . 1 . . . A 14 DC H1' . 19592 1 127 . 1 1 14 14 DC H2' H 1 1.94 0.003 . 1 . . . A 14 DC H2' . 19592 1 128 . 1 1 14 14 DC H2'' H 1 2.207 0.002 . 1 . . . A 14 DC H2'' . 19592 1 129 . 1 1 14 14 DC H3' H 1 4.689 0.000 . 1 . . . A 14 DC H3' . 19592 1 130 . 1 1 14 14 DC H4' H 1 4.047 0.002 . 1 . . . A 14 DC H4' . 19592 1 131 . 1 1 14 14 DC H5 H 1 5.578 0.000 . 1 . . . A 14 DC H5 . 19592 1 132 . 1 1 14 14 DC H5' H 1 3.907 0.000 . 1 . . . A 14 DC H5' . 19592 1 133 . 1 1 14 14 DC H5'' H 1 3.968 0.000 . 1 . . . A 14 DC H5'' . 19592 1 134 . 1 1 14 14 DC H6 H 1 7.37 0.002 . 1 . . . A 14 DC H6 . 19592 1 135 . 1 1 15 15 DA H1' H 1 6.255 0.002 . 1 . . . A 15 DA H1' . 19592 1 136 . 1 1 15 15 DA H2' H 1 2.389 0.001 . 1 . . . A 15 DA H2' . 19592 1 137 . 1 1 15 15 DA H2'' H 1 2.583 0.000 . 1 . . . A 15 DA H2'' . 19592 1 138 . 1 1 15 15 DA H3' H 1 4.603 0.000 . 1 . . . A 15 DA H3' . 19592 1 139 . 1 1 15 15 DA H4' H 1 4.092 0.005 . 1 . . . A 15 DA H4' . 19592 1 140 . 1 1 15 15 DA H5' H 1 3.968 0.000 . 1 . . . A 15 DA H5' . 19592 1 141 . 1 1 15 15 DA H5'' H 1 4.005 0.000 . 1 . . . A 15 DA H5'' . 19592 1 142 . 1 1 15 15 DA H8 H 1 8.173 0.003 . 1 . . . A 15 DA H8 . 19592 1 143 . 2 2 1 1 DT H71 H 1 1.495 0.003 . 1 . . . . 16 DT HMe . 19592 1 144 . 2 2 1 1 DT H72 H 1 1.495 0.003 . 1 . . . . 16 DT HMe . 19592 1 145 . 2 2 1 1 DT H73 H 1 1.495 0.003 . 1 . . . . 16 DT HMe . 19592 1 146 . 2 2 1 1 DT H1' H 1 5.757 0.002 . 1 . . . . 16 DT H1' . 19592 1 147 . 2 2 1 1 DT H2' H 1 1.66 0.002 . 1 . . . . 16 DT H2' . 19592 1 148 . 2 2 1 1 DT H2'' H 1 2.108 0.003 . 1 . . . . 16 DT H2'' . 19592 1 149 . 2 2 1 1 DT H3' H 1 4.503 0.001 . 1 . . . . 16 DT H3' . 19592 1 150 . 2 2 1 1 DT H4' H 1 3.925 0.003 . 1 . . . . 16 DT H4' . 19592 1 151 . 2 2 1 1 DT H5' H 1 3.911 0.000 . 1 . . . . 16 DT H5' . 19592 1 152 . 2 2 1 1 DT H5'' H 1 3.911 0.000 . 1 . . . . 16 DT H5'' . 19592 1 153 . 2 2 1 1 DT H6 H 1 7.242 0.001 . 1 . . . . 16 DT H6 . 19592 1 154 . 2 2 2 2 DG H1 H 1 12.922 0.000 . 1 . . . . 17 DG H1 . 19592 1 155 . 2 2 2 2 DG H1' H 1 5.516 0.002 . 1 . . . . 17 DG H1' . 19592 1 156 . 2 2 2 2 DG H2' H 1 2.641 0.002 . 1 . . . . 17 DG H2' . 19592 1 157 . 2 2 2 2 DG H2'' H 1 2.7 0.001 . 1 . . . . 17 DG H2'' . 19592 1 158 . 2 2 2 2 DG H3' H 1 4.859 0.000 . 1 . . . . 17 DG H3' . 19592 1 159 . 2 2 2 2 DG H4' H 1 4.233 0.001 . 1 . . . . 17 DG H4' . 19592 1 160 . 2 2 2 2 DG H5' H 1 3.858 0.000 . 1 . . . . 17 DG H5' . 19592 1 161 . 2 2 2 2 DG H5'' H 1 3.929 0.000 . 1 . . . . 17 DG H5'' . 19592 1 162 . 2 2 2 2 DG H8 H 1 7.856 0.003 . 1 . . . . 17 DG H8 . 19592 1 163 . 2 2 2 2 DG H22 H 1 8.422 0.000 . 1 . . . . 17 DG H22 . 19592 1 164 . 2 2 3 3 DG H1 H 1 12.889 0.000 . 1 . . . . 18 DG H1 . 19592 1 165 . 2 2 3 3 DG H1' H 1 5.804 0.001 . 1 . . . . 18 DG H1' . 19592 1 166 . 2 2 3 3 DG H2' H 1 2.296 0.002 . 1 . . . . 18 DG H2' . 19592 1 167 . 2 2 3 3 DG H2'' H 1 2.576 0.002 . 1 . . . . 18 DG H2'' . 19592 1 168 . 2 2 3 3 DG H3' H 1 4.873 0.000 . 1 . . . . 18 DG H3' . 19592 1 169 . 2 2 3 3 DG H4' H 1 4.228 0.000 . 1 . . . . 18 DG H4' . 19592 1 170 . 2 2 3 3 DG H5' H 1 3.936 0.000 . 1 . . . . 18 DG H5' . 19592 1 171 . 2 2 3 3 DG H5'' H 1 4.075 0.000 . 1 . . . . 18 DG H5'' . 19592 1 172 . 2 2 3 3 DG H8 H 1 7.701 0.002 . 1 . . . . 18 DG H8 . 19592 1 173 . 2 2 3 3 DG H22 H 1 8.113 0.000 . 1 . . . . 18 DG H22 . 19592 1 174 . 2 2 4 4 DC H1' H 1 5.876 0.001 . 1 . . . . 19 DC H1' . 19592 1 175 . 2 2 4 4 DC H2' H 1 1.97 0.001 . 1 . . . . 19 DC H2' . 19592 1 176 . 2 2 4 4 DC H2'' H 1 2.359 0.001 . 1 . . . . 19 DC H2'' . 19592 1 177 . 2 2 4 4 DC H3' H 1 4.876 0.000 . 1 . . . . 19 DC H3' . 19592 1 178 . 2 2 4 4 DC H4' H 1 4.118 0.004 . 1 . . . . 19 DC H4' . 19592 1 179 . 2 2 4 4 DC H5 H 1 5.205 0.001 . 1 . . . . 19 DC H5 . 19592 1 180 . 2 2 4 4 DC H5' H 1 3.958 0.000 . 1 . . . . 19 DC H5' . 19592 1 181 . 2 2 4 4 DC H5'' H 1 4.032 0.000 . 1 . . . . 19 DC H5'' . 19592 1 182 . 2 2 4 4 DC H6 H 1 7.262 0.003 . 1 . . . . 19 DC H6 . 19592 1 183 . 2 2 5 5 DC H1' H 1 5.306 0.001 . 1 . . . . 20 DC H1' . 19592 1 184 . 2 2 5 5 DC H2' H 1 1.939 0.003 . 1 . . . . 20 DC H2' . 19592 1 185 . 2 2 5 5 DC H2'' H 1 2.253 0.001 . 1 . . . . 20 DC H2'' . 19592 1 186 . 2 2 5 5 DC H3' H 1 4.713 0.000 . 1 . . . . 20 DC H3' . 19592 1 187 . 2 2 5 5 DC H4' H 1 3.946 0.000 . 1 . . . . 20 DC H4' . 19592 1 188 . 2 2 5 5 DC H5 H 1 5.5 0.001 . 1 . . . . 20 DC H5 . 19592 1 189 . 2 2 5 5 DC H5' H 1 3.96 0.000 . 1 . . . . 20 DC H5' . 19592 1 190 . 2 2 5 5 DC H5'' H 1 3.984 0.000 . 1 . . . . 20 DC H5'' . 19592 1 191 . 2 2 5 5 DC H6 H 1 7.358 0.003 . 1 . . . . 20 DC H6 . 19592 1 192 . 2 2 6 6 DA H1' H 1 6.116 0.001 . 1 . . . . 21 DA H1' . 19592 1 193 . 2 2 6 6 DA H2 H 1 7.627 0.000 . 1 . . . . 21 DA H2 . 19592 1 194 . 2 2 6 6 DA H2' H 1 2.624 0.000 . 1 . . . . 21 DA H2' . 19592 1 195 . 2 2 6 6 DA H2'' H 1 2.788 0.001 . 1 . . . . 21 DA H2'' . 19592 1 196 . 2 2 6 6 DA H3' H 1 4.919 0.000 . 1 . . . . 21 DA H3' . 19592 1 197 . 2 2 6 6 DA H4' H 1 4.324 0.001 . 1 . . . . 21 DA H4' . 19592 1 198 . 2 2 6 6 DA H5' H 1 3.965 0.000 . 1 . . . . 21 DA H5' . 19592 1 199 . 2 2 6 6 DA H5'' H 1 4.041 0.000 . 1 . . . . 21 DA H5'' . 19592 1 200 . 2 2 6 6 DA H8 H 1 8.161 0.001 . 1 . . . . 21 DA H8 . 19592 1 201 . 2 2 7 7 DC H1' H 1 5.698 0.002 . 1 . . . . 22 DC H1' . 19592 1 202 . 2 2 7 7 DC H2' H 1 1.87 0.002 . 1 . . . . 22 DC H2' . 19592 1 203 . 2 2 7 7 DC H2'' H 1 2.281 0.002 . 1 . . . . 22 DC H2'' . 19592 1 204 . 2 2 7 7 DC H3' H 1 4.663 0.000 . 1 . . . . 22 DC H3' . 19592 1 205 . 2 2 7 7 DC H4' H 1 4.059 0.004 . 1 . . . . 22 DC H4' . 19592 1 206 . 2 2 7 7 DC H5 H 1 5.145 0.001 . 1 . . . . 22 DC H5 . 19592 1 207 . 2 2 7 7 DC H5' H 1 3.95 0.000 . 1 . . . . 22 DC H5' . 19592 1 208 . 2 2 7 7 DC H5'' H 1 4.029 0.000 . 1 . . . . 22 DC H5'' . 19592 1 209 . 2 2 7 7 DC H6 H 1 7.136 0.003 . 1 . . . . 22 DC H6 . 19592 1 210 . 2 2 8 8 DC H1' H 1 5.815 0.000 . 1 . . . . 23 DC H1' . 19592 1 211 . 2 2 8 8 DC H2' H 1 2.479 0.000 . 1 . . . . 23 DC H2' . 19592 1 212 . 2 2 8 8 DC H2'' H 1 2.605 0.002 . 1 . . . . 23 DC H2'' . 19592 1 213 . 2 2 8 8 DC H3' H 1 4.703 0.000 . 1 . . . . 23 DC H3' . 19592 1 214 . 2 2 8 8 DC H4' H 1 4.038 0.004 . 1 . . . . 23 DC H4' . 19592 1 215 . 2 2 8 8 DC H5 H 1 5.371 0.001 . 1 . . . . 23 DC H5 . 19592 1 216 . 2 2 8 8 DC H5' H 1 3.949 0.000 . 1 . . . . 23 DC H5' . 19592 1 217 . 2 2 8 8 DC H5'' H 1 3.97 0.000 . 1 . . . . 23 DC H5'' . 19592 1 218 . 2 2 8 8 DC H6 H 1 7.265 0.002 . 1 . . . . 23 DC H6 . 19592 1 219 . 2 2 9 9 DG H1 H 1 12.607 0.000 . 1 . . . . 24 DG H1 . 19592 1 220 . 2 2 9 9 DG H1' H 1 5.826 0.002 . 1 . . . . 24 DG H1' . 19592 1 221 . 2 2 9 9 DG H2' H 1 2.483 0.003 . 1 . . . . 24 DG H2' . 19592 1 222 . 2 2 9 9 DG H2'' H 1 2.632 0.004 . 1 . . . . 24 DG H2'' . 19592 1 223 . 2 2 9 9 DG H3' H 1 4.725 0.000 . 1 . . . . 24 DG H3' . 19592 1 224 . 2 2 9 9 DG H4' H 1 4.238 0.000 . 1 . . . . 24 DG H4' . 19592 1 225 . 2 2 9 9 DG H5' H 1 3.987 0.000 . 1 . . . . 24 DG H5' . 19592 1 226 . 2 2 9 9 DG H5'' H 1 4.092 0.000 . 1 . . . . 24 DG H5'' . 19592 1 227 . 2 2 9 9 DG H8 H 1 7.753 0.002 . 1 . . . . 24 DG H8 . 19592 1 228 . 2 2 9 9 DG H22 H 1 8.039 0.000 . 1 . . . . 24 DG H22 . 19592 1 229 . 2 2 10 10 DT H71 H 1 1.331 0.004 . 1 . . . . 25 DT HMe . 19592 1 230 . 2 2 10 10 DT H72 H 1 1.331 0.004 . 1 . . . . 25 DT HMe . 19592 1 231 . 2 2 10 10 DT H73 H 1 1.331 0.004 . 1 . . . . 25 DT HMe . 19592 1 232 . 2 2 10 10 DT H1' H 1 5.608 0.002 . 1 . . . . 25 DT H1' . 19592 1 233 . 2 2 10 10 DT H2' H 1 1.781 0.001 . 1 . . . . 25 DT H2' . 19592 1 234 . 2 2 10 10 DT H2'' H 1 2.21 0.002 . 1 . . . . 25 DT H2'' . 19592 1 235 . 2 2 10 10 DT H3' H 1 4.851 0.000 . 1 . . . . 25 DT H3' . 19592 1 236 . 2 2 10 10 DT H4' H 1 4.097 0.000 . 1 . . . . 25 DT H4' . 19592 1 237 . 2 2 10 10 DT H5' H 1 3.995 0.000 . 1 . . . . 25 DT H5' . 19592 1 238 . 2 2 10 10 DT H5'' H 1 4.074 0.000 . 1 . . . . 25 DT H5'' . 19592 1 239 . 2 2 10 10 DT H6 H 1 6.959 0.003 . 1 . . . . 25 DT H6 . 19592 1 240 . 2 2 11 11 DG H1 H 1 12.435 0.000 . 1 . . . . 26 DG H1 . 19592 1 241 . 2 2 11 11 DG H1' H 1 5.393 0.005 . 1 . . . . 26 DG H1' . 19592 1 242 . 2 2 11 11 DG H2' H 1 2.574 0.003 . 1 . . . . 26 DG H2' . 19592 1 243 . 2 2 11 11 DG H2'' H 1 2.636 0.003 . 1 . . . . 26 DG H2'' . 19592 1 244 . 2 2 11 11 DG H3' H 1 4.863 0.000 . 1 . . . . 26 DG H3' . 19592 1 245 . 2 2 11 11 DG H4' H 1 4.217 0.003 . 1 . . . . 26 DG H4' . 19592 1 246 . 2 2 11 11 DG H5' H 1 3.92 0.000 . 1 . . . . 26 DG H5' . 19592 1 247 . 2 2 11 11 DG H5'' H 1 4 0.000 . 1 . . . . 26 DG H5'' . 19592 1 248 . 2 2 11 11 DG H8 H 1 7.752 0.003 . 1 . . . . 26 DG H8 . 19592 1 249 . 2 2 11 11 DG H22 H 1 8.321 0.000 . 1 . . . . 26 DG H22 . 19592 1 250 . 2 2 12 12 DA H1' H 1 6.102 0.002 . 1 . . . . 27 DA H1' . 19592 1 251 . 2 2 12 12 DA H2 H 1 7.706 0.001 . 1 . . . . 27 DA H2 . 19592 1 252 . 2 2 12 12 DA H2' H 1 2.567 0.002 . 1 . . . . 27 DA H2' . 19592 1 253 . 2 2 12 12 DA H2'' H 1 2.759 0.001 . 1 . . . . 27 DA H2'' . 19592 1 254 . 2 2 12 12 DA H3' H 1 4.893 0.000 . 1 . . . . 27 DA H3' . 19592 1 255 . 2 2 12 12 DA H4' H 1 4.345 0.001 . 1 . . . . 27 DA H4' . 19592 1 256 . 2 2 12 12 DA H5' H 1 4.016 0.000 . 1 . . . . 27 DA H5' . 19592 1 257 . 2 2 12 12 DA H5'' H 1 4.102 0.000 . 1 . . . . 27 DA H5'' . 19592 1 258 . 2 2 12 12 DA H8 H 1 8.037 0.000 . 1 . . . . 27 DA H8 . 19592 1 259 . 2 2 13 13 DC H1' H 1 5.712 0.002 . 1 . . . . 28 DC H1' . 19592 1 260 . 2 2 13 13 DC H2' H 1 1.877 0.002 . 1 . . . . 28 DC H2' . 19592 1 261 . 2 2 13 13 DC H2'' H 1 2.285 0.002 . 1 . . . . 28 DC H2'' . 19592 1 262 . 2 2 13 13 DC H3' H 1 4.667 0.000 . 1 . . . . 28 DC H3' . 19592 1 263 . 2 2 13 13 DC H4' H 1 4.172 0.001 . 1 . . . . 28 DC H4' . 19592 1 264 . 2 2 13 13 DC H5 H 1 5.128 0.001 . 1 . . . . 28 DC H5 . 19592 1 265 . 2 2 13 13 DC H5' H 1 4.009 0.000 . 1 . . . . 28 DC H5' . 19592 1 266 . 2 2 13 13 DC H5'' H 1 4.039 0.000 . 1 . . . . 28 DC H5'' . 19592 1 267 . 2 2 13 13 DC H6 H 1 7.13 0.004 . 1 . . . . 28 DC H6 . 19592 1 268 . 2 2 14 14 DC H1' H 1 6.002 0.002 . 1 . . . . 29 DC H1' . 19592 1 269 . 2 2 14 14 DC H2' H 1 2.189 0.001 . 1 . . . . 29 DC H2' . 19592 1 270 . 2 2 14 14 DC H2'' H 1 2.377 0.000 . 1 . . . . 29 DC H2'' . 19592 1 271 . 2 2 14 14 DC H3' H 1 4.712 0.000 . 1 . . . . 29 DC H3' . 19592 1 272 . 2 2 14 14 DC H4' H 1 4.072 0.004 . 1 . . . . 29 DC H4' . 19592 1 273 . 2 2 14 14 DC H5 H 1 5.557 0.004 . 1 . . . . 29 DC H5 . 19592 1 274 . 2 2 14 14 DC H5' H 1 4.055 0.000 . 1 . . . . 29 DC H5' . 19592 1 275 . 2 2 14 14 DC H5'' H 1 4.024 0.000 . 1 . . . . 29 DC H5'' . 19592 1 276 . 2 2 14 14 DC H6 H 1 7.488 0.003 . 1 . . . . 29 DC H6 . 19592 1 277 . 2 2 15 15 DT H71 H 1 1.669 0.003 . 1 . . . . 30 DT HMe . 19592 1 278 . 2 2 15 15 DT H72 H 1 1.669 0.003 . 1 . . . . 30 DT HMe . 19592 1 279 . 2 2 15 15 DT H73 H 1 1.669 0.003 . 1 . . . . 30 DT HMe . 19592 1 280 . 2 2 15 15 DT H1' H 1 6.157 0.001 . 1 . . . . 30 DT H1' . 19592 1 281 . 2 2 15 15 DT H2' H 1 2.192 0.002 . 1 . . . . 30 DT H2' . 19592 1 282 . 2 2 15 15 DT H2'' H 1 2.207 0.002 . 1 . . . . 30 DT H2'' . 19592 1 283 . 2 2 15 15 DT H3' H 1 4.456 0.000 . 1 . . . . 30 DT H3' . 19592 1 284 . 2 2 15 15 DT H4' H 1 3.992 0.001 . 1 . . . . 30 DT H4' . 19592 1 285 . 2 2 15 15 DT H5' H 1 3.966 0.000 . 1 . . . . 30 DT H5' . 19592 1 286 . 2 2 15 15 DT H5'' H 1 3.966 0.000 . 1 . . . . 30 DT H5'' . 19592 1 287 . 2 2 15 15 DT H6 H 1 7.493 0.002 . 1 . . . . 30 DT H6 . 19592 1 stop_ save_