################################### # 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 34302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H NOESY' . . . 34302 1 2 '2D 1H-1H TOCSY' . . . 34302 1 3 '2D 1H-13C HSQC' . . . 34302 1 4 '2D 1H-13C HMBC' . . . 34302 1 5 '2D 1H-13C HSQC aromatic' . . . 34302 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 DG H1 H 1 11.801 0.002 . . . . . . A 1 DG H1 . 34302 1 2 . 1 1 1 1 DG H1' H 1 5.854 0.001 . . . . . . A 1 DG H1' . 34302 1 3 . 1 1 1 1 DG H2' H 1 2.692 0.002 . . . . . . A 1 DG H2' . 34302 1 4 . 1 1 1 1 DG H2'' H 1 2.771 0.002 . . . . . . A 1 DG H2'' . 34302 1 5 . 1 1 1 1 DG H3' H 1 4.976 0.002 . . . . . . A 1 DG H3' . 34302 1 6 . 1 1 1 1 DG H4' H 1 4.362 0.075 . . . . . . A 1 DG H4' . 34302 1 7 . 1 1 1 1 DG H8 H 1 7.173 0.001 . . . . . . A 1 DG H8 . 34302 1 8 . 1 1 2 2 DG H1 H 1 11.543 0.002 . . . . . . A 2 DG H1 . 34302 1 9 . 1 1 2 2 DG H1' H 1 5.794 0.002 . . . . . . A 2 DG H1' . 34302 1 10 . 1 1 2 2 DG H2' H 1 2.455 0.003 . . . . . . A 2 DG H2' . 34302 1 11 . 1 1 2 2 DG H2'' H 1 2.683 0.001 . . . . . . A 2 DG H2'' . 34302 1 12 . 1 1 2 2 DG H3' H 1 4.994 0.003 . . . . . . A 2 DG H3' . 34302 1 13 . 1 1 2 2 DG H4' H 1 4.390 0.004 . . . . . . A 2 DG H4' . 34302 1 14 . 1 1 2 2 DG H8 H 1 7.790 0.001 . . . . . . A 2 DG H8 . 34302 1 15 . 1 1 3 3 DG H1' H 1 5.318 0.001 . . . . . . A 3 DG H1' . 34302 1 16 . 1 1 3 3 DG H2' H 1 2.242 0.003 . . . . . . A 3 DG H2' . 34302 1 17 . 1 1 3 3 DG H2'' H 1 2.334 0.001 . . . . . . A 3 DG H2'' . 34302 1 18 . 1 1 3 3 DG H3' H 1 4.863 0.003 . . . . . . A 3 DG H3' . 34302 1 19 . 1 1 3 3 DG H4' H 1 4.190 0.005 . . . . . . A 3 DG H4' . 34302 1 20 . 1 1 3 3 DG H8 H 1 7.570 0.002 . . . . . . A 3 DG H8 . 34302 1 21 . 1 1 4 4 DA H1' H 1 5.467 0.002 . . . . . . A 4 DA H1' . 34302 1 22 . 1 1 4 4 DA H2 H 1 7.485 0.004 . . . . . . A 4 DA H2 . 34302 1 23 . 1 1 4 4 DA H2' H 1 2.283 0.002 . . . . . . A 4 DA H2' . 34302 1 24 . 1 1 4 4 DA H2'' H 1 2.456 0.001 . . . . . . A 4 DA H2'' . 34302 1 25 . 1 1 4 4 DA H3' H 1 4.803 0.002 . . . . . . A 4 DA H3' . 34302 1 26 . 1 1 4 4 DA H4' H 1 4.116 0.005 . . . . . . A 4 DA H4' . 34302 1 27 . 1 1 4 4 DA H5' H 1 4.015 0.005 . . . . . . A 4 DA H5' . 34302 1 28 . 1 1 4 4 DA H5'' H 1 3.979 0.002 . . . . . . A 4 DA H5'' . 34302 1 29 . 1 1 4 4 DA H8 H 1 7.836 0.001 . . . . . . A 4 DA H8 . 34302 1 30 . 1 1 5 5 DG H1 H 1 12.713 0.002 . . . . . . A 5 DG H1 . 34302 1 31 . 1 1 5 5 DG H1' H 1 5.498 0.002 . . . . . . A 5 DG H1' . 34302 1 32 . 1 1 5 5 DG H2' H 1 2.553 0.002 . . . . . . A 5 DG H2' . 34302 1 33 . 1 1 5 5 DG H2'' H 1 2.649 0.002 . . . . . . A 5 DG H2'' . 34302 1 34 . 1 1 5 5 DG H3' H 1 4.901 0.003 . . . . . . A 5 DG H3' . 34302 1 35 . 1 1 5 5 DG H4' H 1 4.227 0.003 . . . . . . A 5 DG H4' . 34302 1 36 . 1 1 5 5 DG H5' H 1 4.026 0.002 . . . . . . A 5 DG H5' . 34302 1 37 . 1 1 5 5 DG H5'' H 1 3.909 0.004 . . . . . . A 5 DG H5'' . 34302 1 38 . 1 1 5 5 DG H8 H 1 7.668 0.002 . . . . . . A 5 DG H8 . 34302 1 39 . 1 1 6 6 DG H1 H 1 12.855 0.003 . . . . . . A 6 DG H1 . 34302 1 40 . 1 1 6 6 DG H1' H 1 5.780 0.002 . . . . . . A 6 DG H1' . 34302 1 41 . 1 1 6 6 DG H2' H 1 2.283 0.001 . . . . . . A 6 DG H2' . 34302 1 42 . 1 1 6 6 DG H2'' H 1 2.536 0.001 . . . . . . A 6 DG H2'' . 34302 1 43 . 1 1 6 6 DG H3' H 1 4.855 0.002 . . . . . . A 6 DG H3' . 34302 1 44 . 1 1 6 6 DG H4' H 1 4.200 0.043 . . . . . . A 6 DG H4' . 34302 1 45 . 1 1 6 6 DG H8 H 1 7.502 0.001 . . . . . . A 6 DG H8 . 34302 1 46 . 1 1 7 7 DC H1' H 1 5.913 0.001 . . . . . . A 7 DC H1' . 34302 1 47 . 1 1 7 7 DC H2' H 1 1.661 0.003 . . . . . . A 7 DC H2' . 34302 1 48 . 1 1 7 7 DC H2'' H 1 2.020 0.003 . . . . . . A 7 DC H2'' . 34302 1 49 . 1 1 7 7 DC H3' H 1 4.717 0.004 . . . . . . A 7 DC H3' . 34302 1 50 . 1 1 7 7 DC H4' H 1 4.022 0.001 . . . . . . A 7 DC H4' . 34302 1 51 . 1 1 7 7 DC H5 H 1 5.217 0.002 . . . . . . A 7 DC H5 . 34302 1 52 . 1 1 7 7 DC H5'' H 1 4.137 0.001 . . . . . . A 7 DC H5'' . 34302 1 53 . 1 1 7 7 DC H6 H 1 7.060 0.002 . . . . . . A 7 DC H6 . 34302 1 54 . 1 1 8 8 DG H1' H 1 5.894 0.003 . . . . . . A 8 DG H1' . 34302 1 55 . 1 1 8 8 DG H2' H 1 2.666 0.001 . . . . . . A 8 DG H2' . 34302 1 56 . 1 1 8 8 DG H2'' H 1 2.601 0.001 . . . . . . A 8 DG H2'' . 34302 1 57 . 1 1 8 8 DG H3' H 1 4.842 0.002 . . . . . . A 8 DG H3' . 34302 1 58 . 1 1 8 8 DG H4' H 1 4.308 0.002 . . . . . . A 8 DG H4' . 34302 1 59 . 1 1 8 8 DG H5' H 1 3.828 0.163 . . . . . . A 8 DG H5' . 34302 1 60 . 1 1 8 8 DG H8 H 1 7.976 0.001 . . . . . . A 8 DG H8 . 34302 1 61 . 1 1 9 9 DT H1' H 1 5.780 0.004 . . . . . . A 9 DT H1' . 34302 1 62 . 1 1 9 9 DT H2' H 1 1.825 0.002 . . . . . . A 9 DT H2' . 34302 1 63 . 1 1 9 9 DT H2'' H 1 2.044 0.002 . . . . . . A 9 DT H2'' . 34302 1 64 . 1 1 9 9 DT H3' H 1 4.597 0.001 . . . . . . A 9 DT H3' . 34302 1 65 . 1 1 9 9 DT H4' H 1 3.467 0.014 . . . . . . A 9 DT H4' . 34302 1 66 . 1 1 9 9 DT H5' H 1 3.703 0.012 . . . . . . A 9 DT H5' . 34302 1 67 . 1 1 9 9 DT H5'' H 1 3.727 0.002 . . . . . . A 9 DT H5'' . 34302 1 68 . 1 1 9 9 DT H6 H 1 7.160 0.001 . . . . . . A 9 DT H6 . 34302 1 69 . 1 1 9 9 DT H71 H 1 1.440 0.002 . . . . . . A 9 DT H71 . 34302 1 70 . 1 1 9 9 DT H72 H 1 1.440 0.002 . . . . . . A 9 DT H72 . 34302 1 71 . 1 1 9 9 DT H73 H 1 1.440 0.002 . . . . . . A 9 DT H73 . 34302 1 72 . 1 1 10 10 DG H1' H 1 5.586 0.002 . . . . . . A 10 DG H1' . 34302 1 73 . 1 1 10 10 DG H2' H 1 2.530 0.003 . . . . . . A 10 DG H2' . 34302 1 74 . 1 1 10 10 DG H2'' H 1 2.492 0.003 . . . . . . A 10 DG H2'' . 34302 1 75 . 1 1 10 10 DG H3' H 1 4.722 0.004 . . . . . . A 10 DG H3' . 34302 1 76 . 1 1 10 10 DG H4' H 1 4.109 0.003 . . . . . . A 10 DG H4' . 34302 1 77 . 1 1 10 10 DG H5' H 1 3.865 0.001 . . . . . . A 10 DG H5' . 34302 1 78 . 1 1 10 10 DG H5'' H 1 3.721 0.003 . . . . . . A 10 DG H5'' . 34302 1 79 . 1 1 10 10 DG H8 H 1 7.743 0.001 . . . . . . A 10 DG H8 . 34302 1 80 . 1 1 11 11 DG H1' H 1 5.810 0.003 . . . . . . A 11 DG H1' . 34302 1 81 . 1 1 11 11 DG H2' H 1 2.610 0.000 . . . . . . A 11 DG H2' . 34302 1 82 . 1 1 11 11 DG H2'' H 1 2.713 0.002 . . . . . . A 11 DG H2'' . 34302 1 83 . 1 1 11 11 DG H3' H 1 4.907 0.005 . . . . . . A 11 DG H3' . 34302 1 84 . 1 1 11 11 DG H4' H 1 4.360 0.003 . . . . . . A 11 DG H4' . 34302 1 85 . 1 1 11 11 DG H5' H 1 4.217 0.166 . . . . . . A 11 DG H5' . 34302 1 86 . 1 1 11 11 DG H8 H 1 7.943 0.001 . . . . . . A 11 DG H8 . 34302 1 87 . 1 1 12 12 DC H1' H 1 5.974 0.002 . . . . . . A 12 DC H1' . 34302 1 88 . 1 1 12 12 DC H2' H 1 2.108 0.002 . . . . . . A 12 DC H2' . 34302 1 89 . 1 1 12 12 DC H2'' H 1 2.422 0.002 . . . . . . A 12 DC H2'' . 34302 1 90 . 1 1 12 12 DC H3' H 1 4.754 0.003 . . . . . . A 12 DC H3' . 34302 1 91 . 1 1 12 12 DC H4' H 1 4.216 0.003 . . . . . . A 12 DC H4' . 34302 1 92 . 1 1 12 12 DC H5 H 1 5.391 0.001 . . . . . . A 12 DC H5 . 34302 1 93 . 1 1 12 12 DC H6 H 1 7.449 0.002 . . . . . . A 12 DC H6 . 34302 1 94 . 1 1 13 13 DC H1' H 1 6.061 0.003 . . . . . . A 13 DC H1' . 34302 1 95 . 1 1 13 13 DC H2' H 1 1.876 0.002 . . . . . . A 13 DC H2' . 34302 1 96 . 1 1 13 13 DC H2'' H 1 2.002 0.002 . . . . . . A 13 DC H2'' . 34302 1 97 . 1 1 13 13 DC H3' H 1 4.632 0.003 . . . . . . A 13 DC H3' . 34302 1 98 . 1 1 13 13 DC H4' H 1 4.194 0.001 . . . . . . A 13 DC H4' . 34302 1 99 . 1 1 13 13 DC H5 H 1 5.578 0.003 . . . . . . A 13 DC H5 . 34302 1 100 . 1 1 13 13 DC H5' H 1 3.957 0.003 . . . . . . A 13 DC H5' . 34302 1 101 . 1 1 13 13 DC H6 H 1 7.464 0.002 . . . . . . A 13 DC H6 . 34302 1 102 . 1 1 14 14 DT H1' H 1 5.836 0.004 . . . . . . A 14 DT H1' . 34302 1 103 . 1 1 14 14 DT H2' H 1 2.209 0.001 . . . . . . A 14 DT H2' . 34302 1 104 . 1 1 14 14 DT H2'' H 1 2.304 0.004 . . . . . . A 14 DT H2'' . 34302 1 105 . 1 1 14 14 DT H3' H 1 4.827 0.002 . . . . . . A 14 DT H3' . 34302 1 106 . 1 1 14 14 DT H4' H 1 3.812 0.005 . . . . . . A 14 DT H4' . 34302 1 107 . 1 1 14 14 DT H5' H 1 4.079 0.002 . . . . . . A 14 DT H5' . 34302 1 108 . 1 1 14 14 DT H6 H 1 7.243 0.001 . . . . . . A 14 DT H6 . 34302 1 109 . 1 1 14 14 DT H71 H 1 1.583 0.004 . . . . . . A 14 DT H71 . 34302 1 110 . 1 1 14 14 DT H72 H 1 1.583 0.004 . . . . . . A 14 DT H72 . 34302 1 111 . 1 1 14 14 DT H73 H 1 1.583 0.004 . . . . . . A 14 DT H73 . 34302 1 112 . 1 1 15 15 DG H1 H 1 12.006 0.002 . . . . . . A 15 DG H1 . 34302 1 113 . 1 1 15 15 DG H1' H 1 6.087 0.003 . . . . . . A 15 DG H1' . 34302 1 114 . 1 1 15 15 DG H2' H 1 3.577 0.002 . . . . . . A 15 DG H2' . 34302 1 115 . 1 1 15 15 DG H2'' H 1 3.057 0.001 . . . . . . A 15 DG H2'' . 34302 1 116 . 1 1 15 15 DG H3' H 1 4.977 0.001 . . . . . . A 15 DG H3' . 34302 1 117 . 1 1 15 15 DG H4' H 1 4.444 0.001 . . . . . . A 15 DG H4' . 34302 1 118 . 1 1 15 15 DG H5' H 1 4.444 0.002 . . . . . . A 15 DG H5' . 34302 1 119 . 1 1 15 15 DG H5'' H 1 4.393 0.008 . . . . . . A 15 DG H5'' . 34302 1 120 . 1 1 15 15 DG H8 H 1 7.490 0.001 . . . . . . A 15 DG H8 . 34302 1 121 . 1 1 16 16 DG H1 H 1 11.662 0.003 . . . . . . A 16 DG H1 . 34302 1 122 . 1 1 16 16 DG H1' H 1 6.102 0.003 . . . . . . A 16 DG H1' . 34302 1 123 . 1 1 16 16 DG H2' H 1 2.751 0.002 . . . . . . A 16 DG H2' . 34302 1 124 . 1 1 16 16 DG H2'' H 1 3.045 0.005 . . . . . . A 16 DG H2'' . 34302 1 125 . 1 1 16 16 DG H3' H 1 5.128 0.004 . . . . . . A 16 DG H3' . 34302 1 126 . 1 1 16 16 DG H4' H 1 4.561 0.004 . . . . . . A 16 DG H4' . 34302 1 127 . 1 1 16 16 DG H5' H 1 4.482 0.104 . . . . . . A 16 DG H5' . 34302 1 128 . 1 1 16 16 DG H5'' H 1 4.296 0.002 . . . . . . A 16 DG H5'' . 34302 1 129 . 1 1 16 16 DG H8 H 1 8.200 0.001 . . . . . . A 16 DG H8 . 34302 1 130 . 1 1 17 17 DG H1 H 1 11.116 0.003 . . . . . . A 17 DG H1 . 34302 1 131 . 1 1 17 17 DG H1' H 1 6.522 0.002 . . . . . . A 17 DG H1' . 34302 1 132 . 1 1 17 17 DG H2' H 1 2.786 0.003 . . . . . . A 17 DG H2' . 34302 1 133 . 1 1 17 17 DG H2'' H 1 2.699 0.001 . . . . . . A 17 DG H2'' . 34302 1 134 . 1 1 17 17 DG H3' H 1 5.156 0.004 . . . . . . A 17 DG H3' . 34302 1 135 . 1 1 17 17 DG H4' H 1 4.692 0.004 . . . . . . A 17 DG H4' . 34302 1 136 . 1 1 17 17 DG H5' H 1 4.466 0.000 . . . . . . A 17 DG H5' . 34302 1 137 . 1 1 17 17 DG H5'' H 1 4.396 0.000 . . . . . . A 17 DG H5'' . 34302 1 138 . 1 1 17 17 DG H8 H 1 7.771 0.002 . . . . . . A 17 DG H8 . 34302 1 139 . 1 1 18 18 DC H1' H 1 6.488 0.002 . . . . . . A 18 DC H1' . 34302 1 140 . 1 1 18 18 DC H2' H 1 2.371 0.001 . . . . . . A 18 DC H2' . 34302 1 141 . 1 1 18 18 DC H2'' H 1 2.811 0.001 . . . . . . A 18 DC H2'' . 34302 1 142 . 1 1 18 18 DC H3' H 1 5.079 0.003 . . . . . . A 18 DC H3' . 34302 1 143 . 1 1 18 18 DC H4' H 1 4.837 0.007 . . . . . . A 18 DC H4' . 34302 1 144 . 1 1 18 18 DC H5 H 1 6.192 0.000 . . . . . . A 18 DC H5 . 34302 1 145 . 1 1 18 18 DC H5' H 1 4.389 0.002 . . . . . . A 18 DC H5' . 34302 1 146 . 1 1 18 18 DC H5'' H 1 4.331 0.000 . . . . . . A 18 DC H5'' . 34302 1 147 . 1 1 18 18 DC H6 H 1 8.034 0.002 . . . . . . A 18 DC H6 . 34302 1 148 . 1 1 19 19 DG H1 H 1 11.661 0.002 . . . . . . A 19 DG H1 . 34302 1 149 . 1 1 19 19 DG H1' H 1 5.986 0.002 . . . . . . A 19 DG H1' . 34302 1 150 . 1 1 19 19 DG H2' H 1 2.977 0.001 . . . . . . A 19 DG H2' . 34302 1 151 . 1 1 19 19 DG H2'' H 1 2.746 0.003 . . . . . . A 19 DG H2'' . 34302 1 152 . 1 1 19 19 DG H3' H 1 5.069 0.002 . . . . . . A 19 DG H3' . 34302 1 153 . 1 1 19 19 DG H4' H 1 4.219 0.000 . . . . . . A 19 DG H4' . 34302 1 154 . 1 1 19 19 DG H8 H 1 7.294 0.002 . . . . . . A 19 DG H8 . 34302 1 155 . 1 1 20 20 DG H1 H 1 11.735 0.004 . . . . . . A 20 DG H1 . 34302 1 156 . 1 1 20 20 DG H1' H 1 5.844 0.003 . . . . . . A 20 DG H1' . 34302 1 157 . 1 1 20 20 DG H2' H 1 2.628 0.000 . . . . . . A 20 DG H2' . 34302 1 158 . 1 1 20 20 DG H2'' H 1 2.629 0.000 . . . . . . A 20 DG H2'' . 34302 1 159 . 1 1 20 20 DG H3' H 1 5.057 0.004 . . . . . . A 20 DG H3' . 34302 1 160 . 1 1 20 20 DG H4' H 1 4.442 0.003 . . . . . . A 20 DG H4' . 34302 1 161 . 1 1 20 20 DG H5' H 1 4.220 0.000 . . . . . . A 20 DG H5' . 34302 1 162 . 1 1 20 20 DG H8 H 1 8.135 0.002 . . . . . . A 20 DG H8 . 34302 1 163 . 1 1 21 21 DG H1 H 1 11.580 0.003 . . . . . . A 21 DG H1 . 34302 1 164 . 1 1 21 21 DG H1' H 1 6.115 0.003 . . . . . . A 21 DG H1' . 34302 1 165 . 1 1 21 21 DG H2' H 1 2.452 0.003 . . . . . . A 21 DG H2' . 34302 1 166 . 1 1 21 21 DG H2'' H 1 2.693 0.002 . . . . . . A 21 DG H2'' . 34302 1 167 . 1 1 21 21 DG H3' H 1 4.905 0.005 . . . . . . A 21 DG H3' . 34302 1 168 . 1 1 21 21 DG H4' H 1 4.442 0.010 . . . . . . A 21 DG H4' . 34302 1 169 . 1 1 21 21 DG H8 H 1 7.277 0.002 . . . . . . A 21 DG H8 . 34302 1 170 . 1 1 22 22 DA H1' H 1 6.019 0.002 . . . . . . A 22 DA H1' . 34302 1 171 . 1 1 22 22 DA H2 H 1 8.127 0.004 . . . . . . A 22 DA H2 . 34302 1 172 . 1 1 22 22 DA H2' H 1 2.612 0.000 . . . . . . A 22 DA H2' . 34302 1 173 . 1 1 22 22 DA H2'' H 1 2.612 0.001 . . . . . . A 22 DA H2'' . 34302 1 174 . 1 1 22 22 DA H3' H 1 4.683 0.004 . . . . . . A 22 DA H3' . 34302 1 175 . 1 1 22 22 DA H4' H 1 4.293 0.007 . . . . . . A 22 DA H4' . 34302 1 176 . 1 1 22 22 DA H5' H 1 4.164 0.006 . . . . . . A 22 DA H5' . 34302 1 177 . 1 1 22 22 DA H5'' H 1 4.145 0.000 . . . . . . A 22 DA H5'' . 34302 1 178 . 1 1 22 22 DA H8 H 1 8.256 0.001 . . . . . . A 22 DA H8 . 34302 1 179 . 1 1 23 23 DC H1' H 1 5.608 0.002 . . . . . . A 23 DC H1' . 34302 1 180 . 1 1 23 23 DC H2' H 1 1.744 0.001 . . . . . . A 23 DC H2' . 34302 1 181 . 1 1 23 23 DC H2'' H 1 2.148 0.004 . . . . . . A 23 DC H2'' . 34302 1 182 . 1 1 23 23 DC H3' H 1 4.574 0.004 . . . . . . A 23 DC H3' . 34302 1 183 . 1 1 23 23 DC H4' H 1 3.841 0.025 . . . . . . A 23 DC H4' . 34302 1 184 . 1 1 23 23 DC H5 H 1 5.386 0.002 . . . . . . A 23 DC H5 . 34302 1 185 . 1 1 23 23 DC H5' H 1 3.850 0.003 . . . . . . A 23 DC H5' . 34302 1 186 . 1 1 23 23 DC H6 H 1 7.207 0.002 . . . . . . A 23 DC H6 . 34302 1 187 . 1 1 24 24 DT H1' H 1 5.614 0.002 . . . . . . A 24 DT H1' . 34302 1 188 . 1 1 24 24 DT H2' H 1 1.862 0.001 . . . . . . A 24 DT H2' . 34302 1 189 . 1 1 24 24 DT H2'' H 1 2.216 0.004 . . . . . . A 24 DT H2'' . 34302 1 190 . 1 1 24 24 DT H3' H 1 4.626 0.003 . . . . . . A 24 DT H3' . 34302 1 191 . 1 1 24 24 DT H4' H 1 3.874 0.008 . . . . . . A 24 DT H4' . 34302 1 192 . 1 1 24 24 DT H5' H 1 3.362 0.007 . . . . . . A 24 DT H5' . 34302 1 193 . 1 1 24 24 DT H5'' H 1 3.630 0.005 . . . . . . A 24 DT H5'' . 34302 1 194 . 1 1 24 24 DT H6 H 1 6.958 0.003 . . . . . . A 24 DT H6 . 34302 1 195 . 1 1 24 24 DT H71 H 1 1.471 0.002 . . . . . . A 24 DT H71 . 34302 1 196 . 1 1 24 24 DT H72 H 1 1.471 0.002 . . . . . . A 24 DT H72 . 34302 1 197 . 1 1 24 24 DT H73 H 1 1.471 0.002 . . . . . . A 24 DT H73 . 34302 1 198 . 1 1 25 25 DG H1 H 1 11.047 0.003 . . . . . . A 25 DG H1 . 34302 1 199 . 1 1 25 25 DG H1' H 1 6.132 0.002 . . . . . . A 25 DG H1' . 34302 1 200 . 1 1 25 25 DG H2' H 1 2.808 0.000 . . . . . . A 25 DG H2' . 34302 1 201 . 1 1 25 25 DG H2'' H 1 2.868 0.003 . . . . . . A 25 DG H2'' . 34302 1 202 . 1 1 25 25 DG H3' H 1 4.400 0.003 . . . . . . A 25 DG H3' . 34302 1 203 . 1 1 25 25 DG H4' H 1 3.979 0.000 . . . . . . A 25 DG H4' . 34302 1 204 . 1 1 25 25 DG H5' H 1 3.980 0.000 . . . . . . A 25 DG H5' . 34302 1 205 . 1 1 25 25 DG H8 H 1 7.245 0.006 . . . . . . A 25 DG H8 . 34302 1 206 . 1 1 26 26 DG H1 H 1 11.298 0.003 . . . . . . A 26 DG H1 . 34302 1 207 . 1 1 26 26 DG H1' H 1 5.989 0.004 . . . . . . A 26 DG H1' . 34302 1 208 . 1 1 26 26 DG H2' H 1 2.973 0.001 . . . . . . A 26 DG H2' . 34302 1 209 . 1 1 26 26 DG H2'' H 1 2.738 0.003 . . . . . . A 26 DG H2'' . 34302 1 210 . 1 1 26 26 DG H3' H 1 4.964 0.003 . . . . . . A 26 DG H3' . 34302 1 211 . 1 1 26 26 DG H4' H 1 4.126 0.002 . . . . . . A 26 DG H4' . 34302 1 212 . 1 1 26 26 DG H8 H 1 7.398 0.001 . . . . . . A 26 DG H8 . 34302 1 213 . 1 1 27 27 DG H1 H 1 11.762 0.004 . . . . . . A 27 DG H1 . 34302 1 214 . 1 1 27 27 DG H1' H 1 6.157 0.003 . . . . . . A 27 DG H1' . 34302 1 215 . 1 1 27 27 DG H2' H 1 2.957 0.002 . . . . . . A 27 DG H2' . 34302 1 216 . 1 1 27 27 DG H2'' H 1 2.603 0.002 . . . . . . A 27 DG H2'' . 34302 1 217 . 1 1 27 27 DG H3' H 1 4.858 0.002 . . . . . . A 27 DG H3' . 34302 1 218 . 1 1 27 27 DG H4' H 1 4.553 0.003 . . . . . . A 27 DG H4' . 34302 1 219 . 1 1 27 27 DG H5' H 1 4.310 0.000 . . . . . . A 27 DG H5' . 34302 1 220 . 1 1 27 27 DG H5'' H 1 4.393 0.000 . . . . . . A 27 DG H5'' . 34302 1 221 . 1 1 27 27 DG H8 H 1 7.689 0.000 . . . . . . A 27 DG H8 . 34302 1 222 . 1 1 28 28 DG H1 H 1 11.501 0.006 . . . . . . A 28 DG H1 . 34302 1 223 . 1 1 28 28 DG H1' H 1 6.457 0.003 . . . . . . A 28 DG H1' . 34302 1 224 . 1 1 28 28 DG H2' H 1 2.654 0.002 . . . . . . A 28 DG H2' . 34302 1 225 . 1 1 28 28 DG H2'' H 1 2.548 0.001 . . . . . . A 28 DG H2'' . 34302 1 226 . 1 1 28 28 DG H3' H 1 4.742 0.002 . . . . . . A 28 DG H3' . 34302 1 227 . 1 1 28 28 DG H4' H 1 4.431 0.001 . . . . . . A 28 DG H4' . 34302 1 228 . 1 1 28 28 DG H5' H 1 4.287 0.002 . . . . . . A 28 DG H5' . 34302 1 229 . 1 1 28 28 DG H8 H 1 7.942 0.001 . . . . . . A 28 DG H8 . 34302 1 stop_ save_