################################### # 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 35027 _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' . . . 35027 1 2 '2D 1H-1H NOESY' . . . 35027 1 3 '2D 1H-15N HSQC' . . . 35027 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 DT H1' H 1 5.900 0.005 5 1 . . . . A 1 DT H1' . 35027 1 2 . 1 . 1 1 1 DT H2' H 1 2.038 0.005 6 1 . . . . A 1 DT H2' . 35027 1 3 . 1 . 1 1 1 DT H2'' H 1 2.318 0.003 5 1 . . . . A 1 DT H2'' . 35027 1 4 . 1 . 1 1 1 DT H3' H 1 4.573 0.000 3 1 . . . . A 1 DT H3' . 35027 1 5 . 1 . 1 1 1 DT H4' H 1 3.965 0.003 6 1 . . . . A 1 DT H4' . 35027 1 6 . 1 . 1 1 1 DT H5' H 1 3.603 0.002 6 2 . . . . A 1 DT H5' . 35027 1 7 . 1 . 1 1 1 DT H5'' H 1 3.603 0.002 6 2 . . . . A 1 DT H5'' . 35027 1 8 . 1 . 1 1 1 DT H6 H 1 7.236 0.001 7 1 . . . . A 1 DT H6 . 35027 1 9 . 1 . 1 1 1 DT H71 H 1 1.491 0.002 3 1 . . . . A 1 DT H71 . 35027 1 10 . 1 . 1 1 1 DT H72 H 1 1.491 0.002 3 1 . . . . A 1 DT H72 . 35027 1 11 . 1 . 1 1 1 DT H73 H 1 1.491 0.002 3 1 . . . . A 1 DT H73 . 35027 1 12 . 1 . 1 2 2 DT H1' H 1 5.638 0.002 8 1 . . . . A 2 DT H1' . 35027 1 13 . 1 . 1 2 2 DT H2' H 1 1.478 0.003 7 1 . . . . A 2 DT H2' . 35027 1 14 . 1 . 1 2 2 DT H2'' H 1 2.003 0.001 5 1 . . . . A 2 DT H2'' . 35027 1 15 . 1 . 1 2 2 DT H3' H 1 4.569 0.001 7 1 . . . . A 2 DT H3' . 35027 1 16 . 1 . 1 2 2 DT H4' H 1 4.038 0.001 4 1 . . . . A 2 DT H4' . 35027 1 17 . 1 . 1 2 2 DT H5' H 1 3.883 0.000 2 1 . . . . A 2 DT H5' . 35027 1 18 . 1 . 1 2 2 DT H5'' H 1 3.839 0.002 3 1 . . . . A 2 DT H5'' . 35027 1 19 . 1 . 1 2 2 DT H6 H 1 6.799 0.001 11 1 . . . . A 2 DT H6 . 35027 1 20 . 1 . 1 2 2 DT H71 H 1 1.122 0.003 10 1 . . . . A 2 DT H71 . 35027 1 21 . 1 . 1 2 2 DT H72 H 1 1.122 0.003 10 1 . . . . A 2 DT H72 . 35027 1 22 . 1 . 1 2 2 DT H73 H 1 1.122 0.003 10 1 . . . . A 2 DT H73 . 35027 1 23 . 1 . 1 3 3 DA H1' H 1 5.970 0.003 9 1 . . . . A 3 DA H1' . 35027 1 24 . 1 . 1 3 3 DA H2' H 1 2.608 0.006 4 1 . . . . A 3 DA H2' . 35027 1 25 . 1 . 1 3 3 DA H2'' H 1 2.755 0.002 5 1 . . . . A 3 DA H2'' . 35027 1 26 . 1 . 1 3 3 DA H3' H 1 4.943 0.002 3 1 . . . . A 3 DA H3' . 35027 1 27 . 1 . 1 3 3 DA H4' H 1 4.261 0.004 5 1 . . . . A 3 DA H4' . 35027 1 28 . 1 . 1 3 3 DA H5' H 1 3.982 0.003 4 1 . . . . A 3 DA H5' . 35027 1 29 . 1 . 1 3 3 DA H5'' H 1 3.753 0.001 4 1 . . . . A 3 DA H5'' . 35027 1 30 . 1 . 1 3 3 DA H8 H 1 7.850 0.003 21 1 . . . . A 3 DA H8 . 35027 1 31 . 1 . 1 4 4 DG H1 H 1 11.152 0.003 12 1 . . . . A 4 DG H1 . 35027 1 32 . 1 . 1 4 4 DG H1' H 1 6.044 0.004 8 1 . . . . A 4 DG H1' . 35027 1 33 . 1 . 1 4 4 DG H2' H 1 3.451 0.001 5 1 . . . . A 4 DG H2' . 35027 1 34 . 1 . 1 4 4 DG H2'' H 1 2.977 0.002 4 1 . . . . A 4 DG H2'' . 35027 1 35 . 1 . 1 4 4 DG H3' H 1 4.965 0.005 5 1 . . . . A 4 DG H3' . 35027 1 36 . 1 . 1 4 4 DG H4' H 1 4.442 0.002 3 1 . . . . A 4 DG H4' . 35027 1 37 . 1 . 1 4 4 DG H8 H 1 7.434 0.001 12 1 . . . . A 4 DG H8 . 35027 1 38 . 1 . 1 5 5 DG H1 H 1 12.257 0.003 6 1 . . . . A 5 DG H1 . 35027 1 39 . 1 . 1 5 5 DG H1' H 1 5.631 0.001 6 1 . . . . A 5 DG H1' . 35027 1 40 . 1 . 1 5 5 DG H2' H 1 2.550 0.002 5 2 . . . . A 5 DG H2' . 35027 1 41 . 1 . 1 5 5 DG H2'' H 1 2.550 0.002 5 2 . . . . A 5 DG H2'' . 35027 1 42 . 1 . 1 5 5 DG H3' H 1 5.064 0.001 6 1 . . . . A 5 DG H3' . 35027 1 43 . 1 . 1 5 5 DG H4' H 1 4.358 0.002 6 1 . . . . A 5 DG H4' . 35027 1 44 . 1 . 1 5 5 DG H5' H 1 4.345 0.009 2 1 . . . . A 5 DG H5' . 35027 1 45 . 1 . 1 5 5 DG H5'' H 1 4.258 0.005 4 1 . . . . A 5 DG H5'' . 35027 1 46 . 1 . 1 5 5 DG H8 H 1 8.011 0.001 14 1 . . . . A 5 DG H8 . 35027 1 47 . 1 . 1 6 6 DG H1 H 1 10.889 0.004 5 1 . . . . A 6 DG H1 . 35027 1 48 . 1 . 1 6 6 DG H1' H 1 5.911 0.002 7 1 . . . . A 6 DG H1' . 35027 1 49 . 1 . 1 6 6 DG H2' H 1 1.852 0.002 5 1 . . . . A 6 DG H2' . 35027 1 50 . 1 . 1 6 6 DG H2'' H 1 2.240 0.001 4 1 . . . . A 6 DG H2'' . 35027 1 51 . 1 . 1 6 6 DG H3' H 1 4.898 0.005 6 1 . . . . A 6 DG H3' . 35027 1 52 . 1 . 1 6 6 DG H4' H 1 4.430 0.002 4 1 . . . . A 6 DG H4' . 35027 1 53 . 1 . 1 6 6 DG H5' H 1 4.196 0.001 3 2 . . . . A 6 DG H5' . 35027 1 54 . 1 . 1 6 6 DG H5'' H 1 4.196 0.001 3 2 . . . . A 6 DG H5'' . 35027 1 55 . 1 . 1 6 6 DG H8 H 1 7.295 0.001 12 1 . . . . A 6 DG H8 . 35027 1 56 . 1 . 1 7 7 DA H1' H 1 6.009 0.002 6 1 . . . . A 7 DA H1' . 35027 1 57 . 1 . 1 7 7 DA H2' H 1 2.698 0.001 3 1 . . . . A 7 DA H2' . 35027 1 58 . 1 . 1 7 7 DA H2'' H 1 2.511 0.003 5 1 . . . . A 7 DA H2'' . 35027 1 59 . 1 . 1 7 7 DA H3' H 1 4.911 0.006 4 1 . . . . A 7 DA H3' . 35027 1 60 . 1 . 1 7 7 DA H5' H 1 4.136 0.002 2 2 . . . . A 7 DA H5' . 35027 1 61 . 1 . 1 7 7 DA H5'' H 1 4.136 0.002 2 2 . . . . A 7 DA H5'' . 35027 1 62 . 1 . 1 7 7 DA H8 H 1 8.279 0.001 10 1 . . . . A 7 DA H8 . 35027 1 63 . 1 . 1 8 8 DA H1' H 1 5.755 0.001 7 1 . . . . A 8 DA H1' . 35027 1 64 . 1 . 1 8 8 DA H2' H 1 2.433 0.004 4 1 . . . . A 8 DA H2' . 35027 1 65 . 1 . 1 8 8 DA H2'' H 1 2.238 0.001 5 1 . . . . A 8 DA H2'' . 35027 1 66 . 1 . 1 8 8 DA H3' H 1 4.629 0.002 5 1 . . . . A 8 DA H3' . 35027 1 67 . 1 . 1 8 8 DA H4' H 1 4.255 0.000 1 1 . . . . A 8 DA H4' . 35027 1 68 . 1 . 1 8 8 DA H8 H 1 8.034 0.002 6 1 . . . . A 8 DA H8 . 35027 1 69 . 1 . 1 9 9 DA H1' H 1 5.904 0.003 4 1 . . . . A 9 DA H1' . 35027 1 70 . 1 . 1 9 9 DA H2' H 1 2.398 0.005 4 1 . . . . A 9 DA H2' . 35027 1 71 . 1 . 1 9 9 DA H2'' H 1 2.804 0.004 5 1 . . . . A 9 DA H2'' . 35027 1 72 . 1 . 1 9 9 DA H4' H 1 4.360 0.001 5 1 . . . . A 9 DA H4' . 35027 1 73 . 1 . 1 9 9 DA H5' H 1 3.782 0.003 2 1 . . . . A 9 DA H5' . 35027 1 74 . 1 . 1 9 9 DA H5'' H 1 3.713 0.002 3 1 . . . . A 9 DA H5'' . 35027 1 75 . 1 . 1 9 9 DA H8 H 1 7.908 0.001 10 1 . . . . A 9 DA H8 . 35027 1 76 . 1 . 1 10 10 DG H1 H 1 11.151 0.002 4 1 . . . . A 10 DG H1 . 35027 1 77 . 1 . 1 10 10 DG H1' H 1 5.951 0.004 5 1 . . . . A 10 DG H1' . 35027 1 78 . 1 . 1 10 10 DG H2' H 1 3.370 0.003 5 1 . . . . A 10 DG H2' . 35027 1 79 . 1 . 1 10 10 DG H2'' H 1 2.983 0.001 3 1 . . . . A 10 DG H2'' . 35027 1 80 . 1 . 1 10 10 DG H3' H 1 4.903 0.000 1 1 . . . . A 10 DG H3' . 35027 1 81 . 1 . 1 10 10 DG H4' H 1 4.256 0.003 2 1 . . . . A 10 DG H4' . 35027 1 82 . 1 . 1 10 10 DG H5' H 1 3.513 0.000 1 2 . . . . A 10 DG H5' . 35027 1 83 . 1 . 1 10 10 DG H5'' H 1 3.513 0.000 1 2 . . . . A 10 DG H5'' . 35027 1 84 . 1 . 1 10 10 DG H8 H 1 6.850 0.002 7 1 . . . . A 10 DG H8 . 35027 1 85 . 1 . 1 11 11 DG H1 H 1 11.148 0.004 6 1 . . . . A 11 DG H1 . 35027 1 86 . 1 . 1 11 11 DG H1' H 1 5.757 0.001 8 1 . . . . A 11 DG H1' . 35027 1 87 . 1 . 1 11 11 DG H2' H 1 2.571 0.003 5 1 . . . . A 11 DG H2' . 35027 1 88 . 1 . 1 11 11 DG H2'' H 1 2.630 0.001 5 1 . . . . A 11 DG H2'' . 35027 1 89 . 1 . 1 11 11 DG H3' H 1 5.031 0.004 6 1 . . . . A 11 DG H3' . 35027 1 90 . 1 . 1 11 11 DG H4' H 1 4.265 0.001 5 1 . . . . A 11 DG H4' . 35027 1 91 . 1 . 1 11 11 DG H8 H 1 7.334 0.001 11 1 . . . . A 11 DG H8 . 35027 1 92 . 1 . 1 12 12 DG H1 H 1 12.077 0.005 8 1 . . . . A 12 DG H1 . 35027 1 93 . 1 . 1 12 12 DG H1' H 1 5.947 0.003 9 1 . . . . A 12 DG H1' . 35027 1 94 . 1 . 1 12 12 DG H2' H 1 2.283 0.005 5 1 . . . . A 12 DG H2' . 35027 1 95 . 1 . 1 12 12 DG H2'' H 1 2.789 0.001 5 1 . . . . A 12 DG H2'' . 35027 1 96 . 1 . 1 12 12 DG H3' H 1 5.205 0.001 8 1 . . . . A 12 DG H3' . 35027 1 97 . 1 . 1 12 12 DG H4' H 1 4.483 0.002 4 1 . . . . A 12 DG H4' . 35027 1 98 . 1 . 1 12 12 DG H5' H 1 4.244 0.004 4 2 . . . . A 12 DG H5' . 35027 1 99 . 1 . 1 12 12 DG H5'' H 1 4.244 0.004 4 2 . . . . A 12 DG H5'' . 35027 1 100 . 1 . 1 12 12 DG H8 H 1 8.025 0.001 13 1 . . . . A 12 DG H8 . 35027 1 101 . 1 . 1 13 13 DT H1' H 1 6.39 0.002 7 1 . . . . A 13 DT H1' . 35027 1 102 . 1 . 1 13 13 DT H2' H 1 2.097 0.003 4 1 . . . . A 13 DT H2' . 35027 1 103 . 1 . 1 13 13 DT H2'' H 1 2.498 0.002 4 1 . . . . A 13 DT H2'' . 35027 1 104 . 1 . 1 13 13 DT H3' H 1 4.902 0.003 7 1 . . . . A 13 DT H3' . 35027 1 105 . 1 . 1 13 13 DT H4' H 1 4.477 0.001 5 1 . . . . A 13 DT H4' . 35027 1 106 . 1 . 1 13 13 DT H5' H 1 4.244 0.002 4 1 . . . . A 13 DT H5' . 35027 1 107 . 1 . 1 13 13 DT H5'' H 1 4.147 0.003 5 1 . . . . A 13 DT H5'' . 35027 1 108 . 1 . 1 13 13 DT H6 H 1 7.935 0.001 9 1 . . . . A 13 DT H6 . 35027 1 109 . 1 . 1 13 13 DT H71 H 1 2.123 0.000 2 1 . . . . A 13 DT H71 . 35027 1 110 . 1 . 1 13 13 DT H72 H 1 2.123 0.000 2 1 . . . . A 13 DT H72 . 35027 1 111 . 1 . 1 13 13 DT H73 H 1 2.123 0.000 2 1 . . . . A 13 DT H73 . 35027 1 112 . 1 . 1 14 14 DA H1' H 1 6.199 0.004 9 1 . . . . A 14 DA H1' . 35027 1 113 . 1 . 1 14 14 DA H2' H 1 2.260 0.004 5 1 . . . . A 14 DA H2' . 35027 1 114 . 1 . 1 14 14 DA H2'' H 1 2.512 0.005 4 1 . . . . A 14 DA H2'' . 35027 1 115 . 1 . 1 14 14 DA H3' H 1 4.926 0.004 6 1 . . . . A 14 DA H3' . 35027 1 116 . 1 . 1 14 14 DA H4' H 1 4.361 0.001 6 1 . . . . A 14 DA H4' . 35027 1 117 . 1 . 1 14 14 DA H5' H 1 4.044 0.002 4 2 . . . . A 14 DA H5' . 35027 1 118 . 1 . 1 14 14 DA H5'' H 1 4.044 0.002 4 2 . . . . A 14 DA H5'' . 35027 1 119 . 1 . 1 14 14 DA H8 H 1 8.034 0.003 9 1 . . . . A 14 DA H8 . 35027 1 120 . 1 . 1 15 15 DT H1' H 1 5.953 0.002 6 1 . . . . A 15 DT H1' . 35027 1 121 . 1 . 1 15 15 DT H2' H 1 2.349 0.004 2 1 . . . . A 15 DT H2' . 35027 1 122 . 1 . 1 15 15 DT H2'' H 1 2.543 0.006 3 1 . . . . A 15 DT H2'' . 35027 1 123 . 1 . 1 15 15 DT H3' H 1 4.933 0.008 3 1 . . . . A 15 DT H3' . 35027 1 124 . 1 . 1 15 15 DT H4' H 1 4.233 0.001 3 1 . . . . A 15 DT H4' . 35027 1 125 . 1 . 1 15 15 DT H5' H 1 4.102 0.000 1 1 . . . . A 15 DT H5' . 35027 1 126 . 1 . 1 15 15 DT H5'' H 1 4.055 0.005 3 1 . . . . A 15 DT H5'' . 35027 1 127 . 1 . 1 15 15 DT H6 H 1 7.214 0.001 13 1 . . . . A 15 DT H6 . 35027 1 128 . 1 . 1 15 15 DT H71 H 1 1.110 0.001 18 1 . . . . A 15 DT H71 . 35027 1 129 . 1 . 1 15 15 DT H72 H 1 1.110 0.001 18 1 . . . . A 15 DT H72 . 35027 1 130 . 1 . 1 15 15 DT H73 H 1 1.110 0.001 18 1 . . . . A 15 DT H73 . 35027 1 131 . 1 . 1 16 16 DG H1 H 1 11.616 0.003 7 1 . . . . A 16 DG H1 . 35027 1 132 . 1 . 1 16 16 DG H1' H 1 6.087 0.003 7 1 . . . . A 16 DG H1' . 35027 1 133 . 1 . 1 16 16 DG H2' H 1 2.956 0.003 4 1 . . . . A 16 DG H2' . 35027 1 134 . 1 . 1 16 16 DG H2'' H 1 3.417 0.002 5 1 . . . . A 16 DG H2'' . 35027 1 135 . 1 . 1 16 16 DG H3' H 1 4.988 0.004 3 1 . . . . A 16 DG H3' . 35027 1 136 . 1 . 1 16 16 DG H8 H 1 7.370 0.001 8 1 . . . . A 16 DG H8 . 35027 1 137 . 1 . 1 17 17 DG H1 H 1 12.086 0.003 5 1 . . . . A 17 DG H1 . 35027 1 138 . 1 . 1 17 17 DG H1' H 1 5.683 0.002 8 1 . . . . A 17 DG H1' . 35027 1 139 . 1 . 1 17 17 DG H2' H 1 2.584 0.002 3 1 . . . . A 17 DG H2' . 35027 1 140 . 1 . 1 17 17 DG H2'' H 1 2.516 0.004 4 1 . . . . A 17 DG H2'' . 35027 1 141 . 1 . 1 17 17 DG H3' H 1 4.944 0.004 4 1 . . . . A 17 DG H3' . 35027 1 142 . 1 . 1 17 17 DG H4' H 1 4.263 0.001 4 1 . . . . A 17 DG H4' . 35027 1 143 . 1 . 1 17 17 DG H5' H 1 4.344 0.004 3 1 . . . . A 17 DG H5' . 35027 1 144 . 1 . 1 17 17 DG H5'' H 1 4.248 0.000 2 1 . . . . A 17 DG H5'' . 35027 1 145 . 1 . 1 17 17 DG H8 H 1 8.005 0.002 13 1 . . . . A 17 DG H8 . 35027 1 146 . 1 . 1 18 18 DG H1 H 1 11.091 0.001 4 1 . . . . A 18 DG H1 . 35027 1 147 . 1 . 1 18 18 DG H1' H 1 6.081 0.002 6 1 . . . . A 18 DG H1' . 35027 1 148 . 1 . 1 18 18 DG H2' H 1 2.318 0.003 3 1 . . . . A 18 DG H2' . 35027 1 149 . 1 . 1 18 18 DG H2'' H 1 2.360 0.004 3 1 . . . . A 18 DG H2'' . 35027 1 150 . 1 . 1 18 18 DG H3' H 1 4.808 0.003 3 1 . . . . A 18 DG H3' . 35027 1 151 . 1 . 1 18 18 DG H4' H 1 3.517 0.004 6 1 . . . . A 18 DG H4' . 35027 1 152 . 1 . 1 18 18 DG H8 H 1 7.696 0.001 11 1 . . . . A 18 DG H8 . 35027 1 153 . 1 . 1 19 19 DA H1' H 1 6.335 0.002 9 1 . . . . A 19 DA H1' . 35027 1 154 . 1 . 1 19 19 DA H2' H 1 3.055 0.002 4 1 . . . . A 19 DA H2' . 35027 1 155 . 1 . 1 19 19 DA H2'' H 1 2.984 0.002 4 1 . . . . A 19 DA H2'' . 35027 1 156 . 1 . 1 19 19 DA H3' H 1 4.877 0.004 6 1 . . . . A 19 DA H3' . 35027 1 157 . 1 . 1 19 19 DA H4' H 1 4.368 0.001 3 1 . . . . A 19 DA H4' . 35027 1 158 . 1 . 1 19 19 DA H8 H 1 8.119 0.001 8 1 . . . . A 19 DA H8 . 35027 1 159 . 1 . 1 20 20 DA H1' H 1 6.276 0.003 7 1 . . . . A 20 DA H1' . 35027 1 160 . 1 . 1 20 20 DA H2' H 1 2.840 0.002 4 1 . . . . A 20 DA H2' . 35027 1 161 . 1 . 1 20 20 DA H2'' H 1 2.758 0.003 3 1 . . . . A 20 DA H2'' . 35027 1 162 . 1 . 1 20 20 DA H3' H 1 5.061 0.001 6 1 . . . . A 20 DA H3' . 35027 1 163 . 1 . 1 20 20 DA H4' H 1 4.126 0.000 1 1 . . . . A 20 DA H4' . 35027 1 164 . 1 . 1 20 20 DA H5' H 1 4.270 0.002 3 2 . . . . A 20 DA H5' . 35027 1 165 . 1 . 1 20 20 DA H5'' H 1 4.270 0.002 3 2 . . . . A 20 DA H5'' . 35027 1 166 . 1 . 1 20 20 DA H8 H 1 8.537 0.001 11 1 . . . . A 20 DA H8 . 35027 1 167 . 1 . 1 21 21 DA H1' H 1 6.377 0.004 5 1 . . . . A 21 DA H1' . 35027 1 168 . 1 . 1 21 21 DA H2' H 1 2.810 0.002 2 1 . . . . A 21 DA H2' . 35027 1 169 . 1 . 1 21 21 DA H2'' H 1 2.502 0.000 2 1 . . . . A 21 DA H2'' . 35027 1 170 . 1 . 1 21 21 DA H3' H 1 4.755 0.003 4 1 . . . . A 21 DA H3' . 35027 1 171 . 1 . 1 21 21 DA H4' H 1 4.402 0.001 3 1 . . . . A 21 DA H4' . 35027 1 172 . 1 . 1 21 21 DA H5' H 1 4.127 0.004 2 2 . . . . A 21 DA H5' . 35027 1 173 . 1 . 1 21 21 DA H5'' H 1 4.127 0.004 2 2 . . . . A 21 DA H5'' . 35027 1 174 . 1 . 1 21 21 DA H8 H 1 8.323 0.000 7 1 . . . . A 21 DA H8 . 35027 1 175 . 1 . 1 22 22 DG H1 H 1 12.099 0.003 4 1 . . . . A 22 DG H1 . 35027 1 176 . 1 . 1 22 22 DG H1' H 1 5.979 0.008 6 1 . . . . A 22 DG H1' . 35027 1 177 . 1 . 1 22 22 DG H2' H 1 3.312 0.001 7 1 . . . . A 22 DG H2' . 35027 1 178 . 1 . 1 22 22 DG H2'' H 1 2.993 0.006 6 1 . . . . A 22 DG H2'' . 35027 1 179 . 1 . 1 22 22 DG H3' H 1 4.766 0.003 3 1 . . . . A 22 DG H3' . 35027 1 180 . 1 . 1 22 22 DG H4' H 1 3.938 0.003 5 1 . . . . A 22 DG H4' . 35027 1 181 . 1 . 1 22 22 DG H5' H 1 3.588 0.000 1 2 . . . . A 22 DG H5' . 35027 1 182 . 1 . 1 22 22 DG H5'' H 1 3.588 0.000 1 2 . . . . A 22 DG H5'' . 35027 1 183 . 1 . 1 22 22 DG H8 H 1 7.394 0.001 12 1 . . . . A 22 DG H8 . 35027 1 184 . 1 . 1 23 23 DG H1 H 1 11.571 0.001 5 1 . . . . A 23 DG H1 . 35027 1 185 . 1 . 1 23 23 DG H1' H 1 5.760 0.003 6 1 . . . . A 23 DG H1' . 35027 1 186 . 1 . 1 23 23 DG H2' H 1 2.655 0.001 5 2 . . . . A 23 DG H2' . 35027 1 187 . 1 . 1 23 23 DG H2'' H 1 2.655 0.001 5 2 . . . . A 23 DG H2'' . 35027 1 188 . 1 . 1 23 23 DG H3' H 1 5.102 0.003 7 1 . . . . A 23 DG H3' . 35027 1 189 . 1 . 1 23 23 DG H4' H 1 4.345 0.003 7 1 . . . . A 23 DG H4' . 35027 1 190 . 1 . 1 23 23 DG H5' H 1 4.255 0.008 4 2 . . . . A 23 DG H5' . 35027 1 191 . 1 . 1 23 23 DG H5'' H 1 4.255 0.008 4 2 . . . . A 23 DG H5'' . 35027 1 192 . 1 . 1 23 23 DG H8 H 1 7.866 0.001 11 1 . . . . A 23 DG H8 . 35027 1 193 . 1 . 1 24 24 DG H1 H 1 11.413 0.002 4 1 . . . . A 24 DG H1 . 35027 1 194 . 1 . 1 24 24 DG H1' H 1 6.299 0.002 6 1 . . . . A 24 DG H1' . 35027 1 195 . 1 . 1 24 24 DG H2' H 1 2.558 0.001 6 1 . . . . A 24 DG H2' . 35027 1 196 . 1 . 1 24 24 DG H2'' H 1 2.788 0.002 6 1 . . . . A 24 DG H2'' . 35027 1 197 . 1 . 1 24 24 DG H3' H 1 5.014 0.003 8 1 . . . . A 24 DG H3' . 35027 1 198 . 1 . 1 24 24 DG H4' H 1 4.307 0.001 6 1 . . . . A 24 DG H4' . 35027 1 199 . 1 . 1 24 24 DG H5' H 1 4.542 0.003 4 1 . . . . A 24 DG H5' . 35027 1 200 . 1 . 1 24 24 DG H5'' H 1 4.250 0.000 1 1 . . . . A 24 DG H5'' . 35027 1 201 . 1 . 1 24 24 DG H8 H 1 7.782 0.000 12 1 . . . . A 24 DG H8 . 35027 1 202 . 1 . 1 25 25 DT H1' H 1 6.150 0.003 6 1 . . . . A 25 DT H1' . 35027 1 203 . 1 . 1 25 25 DT H2' H 1 2.265 0.003 4 1 . . . . A 25 DT H2' . 35027 1 204 . 1 . 1 25 25 DT H2'' H 1 2.386 0.003 4 1 . . . . A 25 DT H2'' . 35027 1 205 . 1 . 1 25 25 DT H3' H 1 4.854 0.004 5 1 . . . . A 25 DT H3' . 35027 1 206 . 1 . 1 25 25 DT H4' H 1 4.298 0.001 4 1 . . . . A 25 DT H4' . 35027 1 207 . 1 . 1 25 25 DT H6 H 1 7.372 0.003 10 1 . . . . A 25 DT H6 . 35027 1 208 . 1 . 1 25 25 DT H71 H 1 1.638 0.005 7 1 . . . . A 25 DT H71 . 35027 1 209 . 1 . 1 25 25 DT H72 H 1 1.638 0.005 7 1 . . . . A 25 DT H72 . 35027 1 210 . 1 . 1 25 25 DT H73 H 1 1.638 0.005 7 1 . . . . A 25 DT H73 . 35027 1 211 . 1 . 1 26 26 DT H1' H 1 6.003 0.001 4 1 . . . . A 26 DT H1' . 35027 1 212 . 1 . 1 26 26 DT H2' H 1 2.161 0.013 3 2 . . . . A 26 DT H2' . 35027 1 213 . 1 . 1 26 26 DT H2'' H 1 2.161 0.013 3 2 . . . . A 26 DT H2'' . 35027 1 214 . 1 . 1 26 26 DT H3' H 1 4.443 0.002 2 1 . . . . A 26 DT H3' . 35027 1 215 . 1 . 1 26 26 DT H5' H 1 4.008 0.000 1 2 . . . . A 26 DT H5' . 35027 1 216 . 1 . 1 26 26 DT H5'' H 1 4.008 0.000 1 2 . . . . A 26 DT H5'' . 35027 1 217 . 1 . 1 26 26 DT H6 H 1 7.401 0.002 9 1 . . . . A 26 DT H6 . 35027 1 218 . 1 . 1 26 26 DT H71 H 1 1.610 0.000 3 1 . . . . A 26 DT H71 . 35027 1 219 . 1 . 1 26 26 DT H72 H 1 1.610 0.000 3 1 . . . . A 26 DT H72 . 35027 1 220 . 1 . 1 26 26 DT H73 H 1 1.610 0.000 3 1 . . . . A 26 DT H73 . 35027 1 stop_ save_