################################### # 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 35028 _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' . . . 35028 1 2 '2D 1H-1H NOESY' . . . 35028 1 3 '2D 1H-15N HSQC' . . . 35028 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 5.974 0.001 5 1 . . . . A 1 DT H1' . 35028 1 2 . 1 . 1 1 1 DT H2' H 1 2.089 0.004 5 1 . . . . A 1 DT H2' . 35028 1 3 . 1 . 1 1 1 DT H2'' H 1 2.303 0.006 5 1 . . . . A 1 DT H2'' . 35028 1 4 . 1 . 1 1 1 DT H3' H 1 4.564 0.003 4 1 . . . . A 1 DT H3' . 35028 1 5 . 1 . 1 1 1 DT H4' H 1 3.963 0.004 6 1 . . . . A 1 DT H4' . 35028 1 6 . 1 . 1 1 1 DT H5' H 1 3.615 0.002 2 1 . . . . A 1 DT H5' . 35028 1 7 . 1 . 1 1 1 DT H5'' H 1 3.579 0.001 2 1 . . . . A 1 DT H5'' . 35028 1 8 . 1 . 1 1 1 DT H6 H 1 7.348 0.001 9 1 . . . . A 1 DT H6 . 35028 1 9 . 1 . 1 1 1 DT H71 H 1 1.616 0.000 4 1 . . . . A 1 DT H71 . 35028 1 10 . 1 . 1 1 1 DT H72 H 1 1.616 0.000 4 1 . . . . A 1 DT H72 . 35028 1 11 . 1 . 1 1 1 DT H73 H 1 1.616 0.000 4 1 . . . . A 1 DT H73 . 35028 1 12 . 1 . 1 2 2 DT H1' H 1 5.558 0.004 6 1 . . . . A 2 DT H1' . 35028 1 13 . 1 . 1 2 2 DT H2' H 1 1.673 0.002 5 1 . . . . A 2 DT H2' . 35028 1 14 . 1 . 1 2 2 DT H2'' H 1 2.037 0.005 4 1 . . . . A 2 DT H2'' . 35028 1 15 . 1 . 1 2 2 DT H3' H 1 4.532 0.004 7 1 . . . . A 2 DT H3' . 35028 1 16 . 1 . 1 2 2 DT H5' H 1 3.829 0.003 2 1 . . . . A 2 DT H5' . 35028 1 17 . 1 . 1 2 2 DT H5'' H 1 3.793 0.002 2 1 . . . . A 2 DT H5'' . 35028 1 18 . 1 . 1 2 2 DT H6 H 1 6.850 0.001 8 1 . . . . A 2 DT H6 . 35028 1 19 . 1 . 1 2 2 DT H71 H 1 1.264 0.002 11 1 . . . . A 2 DT H71 . 35028 1 20 . 1 . 1 2 2 DT H72 H 1 1.264 0.002 11 1 . . . . A 2 DT H72 . 35028 1 21 . 1 . 1 2 2 DT H73 H 1 1.264 0.002 11 1 . . . . A 2 DT H73 . 35028 1 22 . 1 . 1 3 3 DA H1' H 1 6.000 0.004 5 1 . . . . A 3 DA H1' . 35028 1 23 . 1 . 1 3 3 DA H2' H 1 2.385 0.002 3 1 . . . . A 3 DA H2' . 35028 1 24 . 1 . 1 3 3 DA H2'' H 1 2.710 0.002 3 1 . . . . A 3 DA H2'' . 35028 1 25 . 1 . 1 3 3 DA H3' H 1 4.904 0.002 2 1 . . . . A 3 DA H3' . 35028 1 26 . 1 . 1 3 3 DA H5' H 1 3.813 0.000 1 1 . . . . A 3 DA H5' . 35028 1 27 . 1 . 1 3 3 DA H5'' H 1 3.613 0.000 1 1 . . . . A 3 DA H5'' . 35028 1 28 . 1 . 1 3 3 DA H8 H 1 7.828 0.001 15 1 . . . . A 3 DA H8 . 35028 1 29 . 1 . 1 4 4 DG H1 H 1 11.265 0.003 6 1 . . . . A 4 DG H1 . 35028 1 30 . 1 . 1 4 4 DG H1' H 1 6.064 0.003 9 1 . . . . A 4 DG H1' . 35028 1 31 . 1 . 1 4 4 DG H2' H 1 3.518 0.001 6 1 . . . . A 4 DG H2' . 35028 1 32 . 1 . 1 4 4 DG H2'' H 1 2.995 0.002 6 1 . . . . A 4 DG H2'' . 35028 1 33 . 1 . 1 4 4 DG H3' H 1 4.959 0.002 6 1 . . . . A 4 DG H3' . 35028 1 34 . 1 . 1 4 4 DG H4' H 1 4.451 0.001 5 1 . . . . A 4 DG H4' . 35028 1 35 . 1 . 1 4 4 DG H8 H 1 7.421 0.001 9 1 . . . . A 4 DG H8 . 35028 1 36 . 1 . 1 5 5 DG H1 H 1 12.12 0.002 4 1 . . . . A 5 DG H1 . 35028 1 37 . 1 . 1 5 5 DG H1' H 1 5.680 0.001 10 1 . . . . A 5 DG H1' . 35028 1 38 . 1 . 1 5 5 DG H2' H 1 2.539 0.001 4 1 . . . . A 5 DG H2' . 35028 1 39 . 1 . 1 5 5 DG H2'' H 1 2.626 0.002 3 1 . . . . A 5 DG H2'' . 35028 1 40 . 1 . 1 5 5 DG H3' H 1 5.071 0.002 5 1 . . . . A 5 DG H3' . 35028 1 41 . 1 . 1 5 5 DG H4' H 1 4.362 0.002 7 1 . . . . A 5 DG H4' . 35028 1 42 . 1 . 1 5 5 DG H5' H 1 4.262 0.002 3 2 . . . . A 5 DG H5' . 35028 1 43 . 1 . 1 5 5 DG H5'' H 1 4.262 0.002 3 2 . . . . A 5 DG H5'' . 35028 1 44 . 1 . 1 5 5 DG H8 H 1 7.990 0.001 14 1 . . . . A 5 DG H8 . 35028 1 45 . 1 . 1 6 6 DG H1 H 1 11.053 0.001 5 1 . . . . A 6 DG H1 . 35028 1 46 . 1 . 1 6 6 DG H1' H 1 5.901 0.001 7 1 . . . . A 6 DG H1' . 35028 1 47 . 1 . 1 6 6 DG H2' H 1 2.324 0.001 4 1 . . . . A 6 DG H2' . 35028 1 48 . 1 . 1 6 6 DG H2'' H 1 2.453 0.002 4 1 . . . . A 6 DG H2'' . 35028 1 49 . 1 . 1 6 6 DG H3' H 1 4.964 0.002 2 1 . . . . A 6 DG H3' . 35028 1 50 . 1 . 1 6 6 DG H4' H 1 4.474 0.002 6 1 . . . . A 6 DG H4' . 35028 1 51 . 1 . 1 6 6 DG H5' H 1 4.236 0.002 3 2 . . . . A 6 DG H5' . 35028 1 52 . 1 . 1 6 6 DG H5'' H 1 4.236 0.002 3 2 . . . . A 6 DG H5'' . 35028 1 53 . 1 . 1 6 6 DG H8 H 1 7.573 0.000 15 1 . . . . A 6 DG H8 . 35028 1 54 . 1 . 1 7 7 DA H1' H 1 6.217 0.001 8 1 . . . . A 7 DA H1' . 35028 1 55 . 1 . 1 7 7 DA H2' H 1 2.690 0.001 5 2 . . . . A 7 DA H2' . 35028 1 56 . 1 . 1 7 7 DA H2'' H 1 2.690 0.001 5 2 . . . . A 7 DA H2'' . 35028 1 57 . 1 . 1 7 7 DA H3' H 1 4.929 0.003 5 1 . . . . A 7 DA H3' . 35028 1 58 . 1 . 1 7 7 DA H4' H 1 4.429 0.003 7 1 . . . . A 7 DA H4' . 35028 1 59 . 1 . 1 7 7 DA H5' H 1 4.233 0.003 2 1 . . . . A 7 DA H5' . 35028 1 60 . 1 . 1 7 7 DA H5'' H 1 4.162 0.004 2 1 . . . . A 7 DA H5'' . 35028 1 61 . 1 . 1 7 7 DA H8 H 1 8.209 0.002 15 1 . . . . A 7 DA H8 . 35028 1 62 . 1 . 1 8 8 DT H1' H 1 5.667 0.001 8 1 . . . . A 8 DT H1' . 35028 1 63 . 1 . 1 8 8 DT H2' H 1 1.914 0.001 7 1 . . . . A 8 DT H2' . 35028 1 64 . 1 . 1 8 8 DT H2'' H 1 2.183 0.003 7 1 . . . . A 8 DT H2'' . 35028 1 65 . 1 . 1 8 8 DT H3' H 1 4.639 0.003 10 1 . . . . A 8 DT H3' . 35028 1 66 . 1 . 1 8 8 DT H4' H 1 4.055 0.000 6 1 . . . . A 8 DT H4' . 35028 1 67 . 1 . 1 8 8 DT H5' H 1 4.089 0.001 3 1 . . . . A 8 DT H5' . 35028 1 68 . 1 . 1 8 8 DT H5'' H 1 3.995 0.001 3 1 . . . . A 8 DT H5'' . 35028 1 69 . 1 . 1 8 8 DT H6 H 1 7.295 0.001 11 1 . . . . A 8 DT H6 . 35028 1 70 . 1 . 1 8 8 DT H71 H 1 1.672 0.001 9 1 . . . . A 8 DT H71 . 35028 1 71 . 1 . 1 8 8 DT H72 H 1 1.672 0.001 9 1 . . . . A 8 DT H72 . 35028 1 72 . 1 . 1 8 8 DT H73 H 1 1.672 0.001 9 1 . . . . A 8 DT H73 . 35028 1 73 . 1 . 1 9 9 DT H1' H 1 5.849 0.004 7 1 . . . . A 9 DT H1' . 35028 1 74 . 1 . 1 9 9 DT H2' H 1 2.004 0.003 5 1 . . . . A 9 DT H2' . 35028 1 75 . 1 . 1 9 9 DT H2'' H 1 2.336 0.002 5 1 . . . . A 9 DT H2'' . 35028 1 76 . 1 . 1 9 9 DT H3' H 1 4.600 0.002 5 1 . . . . A 9 DT H3' . 35028 1 77 . 1 . 1 9 9 DT H4' H 1 3.923 0.002 9 1 . . . . A 9 DT H4' . 35028 1 78 . 1 . 1 9 9 DT H5' H 1 3.655 0.001 5 1 . . . . A 9 DT H5' . 35028 1 79 . 1 . 1 9 9 DT H5'' H 1 3.357 0.000 6 1 . . . . A 9 DT H5'' . 35028 1 80 . 1 . 1 9 9 DT H6 H 1 7.201 0.001 16 1 . . . . A 9 DT H6 . 35028 1 81 . 1 . 1 9 9 DT H71 H 1 1.293 0.002 17 1 . . . . A 9 DT H71 . 35028 1 82 . 1 . 1 9 9 DT H72 H 1 1.293 0.002 17 1 . . . . A 9 DT H72 . 35028 1 83 . 1 . 1 9 9 DT H73 H 1 1.293 0.002 17 1 . . . . A 9 DT H73 . 35028 1 84 . 1 . 1 10 10 DG H1 H 1 11.427 0.001 11 1 . . . . A 10 DG H1 . 35028 1 85 . 1 . 1 10 10 DG H1' H 1 6.163 0.001 6 1 . . . . A 10 DG H1' . 35028 1 86 . 1 . 1 10 10 DG H2' H 1 3.559 0.001 5 1 . . . . A 10 DG H2' . 35028 1 87 . 1 . 1 10 10 DG H2'' H 1 3.144 0.001 5 1 . . . . A 10 DG H2'' . 35028 1 88 . 1 . 1 10 10 DG H3' H 1 4.929 0.001 4 1 . . . . A 10 DG H3' . 35028 1 89 . 1 . 1 10 10 DG H4' H 1 4.396 0.004 4 1 . . . . A 10 DG H4' . 35028 1 90 . 1 . 1 10 10 DG H5' H 1 4.351 0.004 2 2 . . . . A 10 DG H5' . 35028 1 91 . 1 . 1 10 10 DG H5'' H 1 4.351 0.004 2 2 . . . . A 10 DG H5'' . 35028 1 92 . 1 . 1 10 10 DG H8 H 1 7.322 0.001 12 1 . . . . A 10 DG H8 . 35028 1 93 . 1 . 1 11 11 DG H1 H 1 11.327 0.004 7 1 . . . . A 11 DG H1 . 35028 1 94 . 1 . 1 11 11 DG H1' H 1 5.860 0.001 6 1 . . . . A 11 DG H1' . 35028 1 95 . 1 . 1 11 11 DG H2' H 1 2.639 0.003 5 2 . . . . A 11 DG H2' . 35028 1 96 . 1 . 1 11 11 DG H2'' H 1 2.639 0.003 5 2 . . . . A 11 DG H2'' . 35028 1 97 . 1 . 1 11 11 DG H3' H 1 5.081 0.002 4 1 . . . . A 11 DG H3' . 35028 1 98 . 1 . 1 11 11 DG H4' H 1 4.240 0.000 2 1 . . . . A 11 DG H4' . 35028 1 99 . 1 . 1 11 11 DG H5' H 1 4.335 0.000 1 2 . . . . A 11 DG H5' . 35028 1 100 . 1 . 1 11 11 DG H5'' H 1 4.335 0.0000 1 2 . . . . A 11 DG H5'' . 35028 1 101 . 1 . 1 11 11 DG H8 H 1 7.419 0.001 7 1 . . . . A 11 DG H8 . 35028 1 102 . 1 . 1 12 12 DG H1 H 1 12.128 0.002 4 1 . . . . A 12 DG H1 . 35028 1 103 . 1 . 1 12 12 DG H1' H 1 6.071 0.002 7 1 . . . . A 12 DG H1' . 35028 1 104 . 1 . 1 12 12 DG H2' H 1 2.559 0.008 4 1 . . . . A 12 DG H2' . 35028 1 105 . 1 . 1 12 12 DG H2'' H 1 2.326 0.003 5 1 . . . . A 12 DG H2'' . 35028 1 106 . 1 . 1 12 12 DG H3' H 1 5.102 0.002 6 1 . . . . A 12 DG H3' . 35028 1 107 . 1 . 1 12 12 DG H4' H 1 4.258 0.000 1 1 . . . . A 12 DG H4' . 35028 1 108 . 1 . 1 12 12 DG H5' H 1 4.250 0.000 1 2 . . . . A 12 DG H5' . 35028 1 109 . 1 . 1 12 12 DG H5'' H 1 4.250 0.000 1 2 . . . . A 12 DG H5'' . 35028 1 110 . 1 . 1 12 12 DG H8 H 1 7.896 0.001 9 1 . . . . A 12 DG H8 . 35028 1 111 . 1 . 1 13 13 DA H1' H 1 6.506 0.002 8 1 . . . . A 13 DA H1' . 35028 1 112 . 1 . 1 13 13 DA H2' H 1 2.713 0.002 5 1 . . . . A 13 DA H2' . 35028 1 113 . 1 . 1 13 13 DA H2'' H 1 2.763 0.002 6 1 . . . . A 13 DA H2'' . 35028 1 114 . 1 . 1 13 13 DA H3' H 1 4.975 0.000 4 1 . . . . A 13 DA H3' . 35028 1 115 . 1 . 1 13 13 DA H4' H 1 4.515 0.001 3 1 . . . . A 13 DA H4' . 35028 1 116 . 1 . 1 13 13 DA H5' H 1 4.115 0.001 6 2 . . . . A 13 DA H5' . 35028 1 117 . 1 . 1 13 13 DA H5'' H 1 4.115 0.001 6 2 . . . . A 13 DA H5'' . 35028 1 118 . 1 . 1 13 13 DA H8 H 1 8.431 0.002 11 1 . . . . A 13 DA H8 . 35028 1 119 . 1 . 1 14 14 DA H1' H 1 6.206 0.002 9 1 . . . . A 14 DA H1' . 35028 1 120 . 1 . 1 14 14 DA H2' H 1 2.331 0.001 6 1 . . . . A 14 DA H2' . 35028 1 121 . 1 . 1 14 14 DA H2'' H 1 2.610 0.005 6 1 . . . . A 14 DA H2'' . 35028 1 122 . 1 . 1 14 14 DA H3' H 1 4.970 0.002 5 1 . . . . A 14 DA H3' . 35028 1 123 . 1 . 1 14 14 DA H4' H 1 4.337 0.001 6 1 . . . . A 14 DA H4' . 35028 1 124 . 1 . 1 14 14 DA H5' H 1 4.123 0.005 4 2 . . . . A 14 DA H5' . 35028 1 125 . 1 . 1 14 14 DA H5'' H 1 4.123 0.005 4 2 . . . . A 14 DA H5'' . 35028 1 126 . 1 . 1 14 14 DA H8 H 1 8.059 0.001 15 1 . . . . A 14 DA H8 . 35028 1 127 . 1 . 1 15 15 DT H1' H 1 5.951 0.002 6 1 . . . . A 15 DT H1' . 35028 1 128 . 1 . 1 15 15 DT H2' H 1 2.454 0.001 3 1 . . . . A 15 DT H2' . 35028 1 129 . 1 . 1 15 15 DT H2'' H 1 2.566 0.001 3 1 . . . . A 15 DT H2'' . 35028 1 130 . 1 . 1 15 15 DT H3' H 1 4.921 0.002 2 1 . . . . A 15 DT H3' . 35028 1 131 . 1 . 1 15 15 DT H4' H 1 4.229 0.000 2 1 . . . . A 15 DT H4' . 35028 1 132 . 1 . 1 15 15 DT H5' H 1 4.100 0.002 2 2 . . . . A 15 DT H5' . 35028 1 133 . 1 . 1 15 15 DT H5'' H 1 4.100 0.002 2 2 . . . . A 15 DT H5'' . 35028 1 134 . 1 . 1 15 15 DT H6 H 1 7.330 0.001 10 1 . . . . A 15 DT H6 . 35028 1 135 . 1 . 1 15 15 DT H71 H 1 1.102 0.001 19 1 . . . . A 15 DT H71 . 35028 1 136 . 1 . 1 15 15 DT H72 H 1 1.102 0.001 19 1 . . . . A 15 DT H72 . 35028 1 137 . 1 . 1 15 15 DT H73 H 1 1.102 0.001 19 1 . . . . A 15 DT H73 . 35028 1 138 . 1 . 1 16 16 DG H1 H 1 11.647 0.001 6 1 . . . . A 16 DG H1 . 35028 1 139 . 1 . 1 16 16 DG H1' H 1 6.091 0.005 7 1 . . . . A 16 DG H1' . 35028 1 140 . 1 . 1 16 16 DG H2' H 1 3.442 0.000 6 1 . . . . A 16 DG H2' . 35028 1 141 . 1 . 1 16 16 DG H2'' H 1 3.001 0.006 8 1 . . . . A 16 DG H2'' . 35028 1 142 . 1 . 1 16 16 DG H3' H 1 4.996 0.003 6 1 . . . . A 16 DG H3' . 35028 1 143 . 1 . 1 16 16 DG H4' H 1 4.476 0.002 4 1 . . . . A 16 DG H4' . 35028 1 144 . 1 . 1 16 16 DG H5' H 1 4.336 0.000 1 1 . . . . A 16 DG H5' . 35028 1 145 . 1 . 1 16 16 DG H5'' H 1 4.263 0.000 1 1 . . . . A 16 DG H5'' . 35028 1 146 . 1 . 1 16 16 DG H8 H 1 7.508 0.000 11 1 . . . . A 16 DG H8 . 35028 1 147 . 1 . 1 17 17 DG H1 H 1 11.918 0.001 5 1 . . . . A 17 DG H1 . 35028 1 148 . 1 . 1 17 17 DG H1' H 1 5.884 0.002 8 1 . . . . A 17 DG H1' . 35028 1 149 . 1 . 1 17 17 DG H2' H 1 2.598 0.002 4 1 . . . . A 17 DG H2' . 35028 1 150 . 1 . 1 17 17 DG H2'' H 1 2.706 0.004 3 1 . . . . A 17 DG H2'' . 35028 1 151 . 1 . 1 17 17 DG H3' H 1 5.047 0.003 5 1 . . . . A 17 DG H3' . 35028 1 152 . 1 . 1 17 17 DG H4' H 1 4.305 0.000 1 1 . . . . A 17 DG H4' . 35028 1 153 . 1 . 1 17 17 DG H5' H 1 4.304 0.001 4 2 . . . . A 17 DG H5' . 35028 1 154 . 1 . 1 17 17 DG H5'' H 1 4.304 0.001 4 2 . . . . A 17 DG H5'' . 35028 1 155 . 1 . 1 17 17 DG H8 H 1 8.002 0.001 13 1 . . . . A 17 DG H8 . 35028 1 156 . 1 . 1 18 18 DG H1 H 1 11.072 0.003 6 1 . . . . A 18 DG H1 . 35028 1 157 . 1 . 1 18 18 DG H1' H 1 6.323 0.003 5 1 . . . . A 18 DG H1' . 35028 1 158 . 1 . 1 18 18 DG H2' H 1 2.503 0.003 5 2 . . . . A 18 DG H2' . 35028 1 159 . 1 . 1 18 18 DG H2'' H 1 2.503 0.003 5 2 . . . . A 18 DG H2'' . 35028 1 160 . 1 . 1 18 18 DG H3' H 1 4.942 0.002 3 1 . . . . A 18 DG H3' . 35028 1 161 . 1 . 1 18 18 DG H4' H 1 4.202 0.002 6 1 . . . . A 18 DG H4' . 35028 1 162 . 1 . 1 18 18 DG H5' H 1 4.090 0.005 2 2 . . . . A 18 DG H5' . 35028 1 163 . 1 . 1 18 18 DG H5'' H 1 4.090 0.005 2 2 . . . . A 18 DG H5'' . 35028 1 164 . 1 . 1 18 18 DG H8 H 1 7.868 0.001 12 1 . . . . A 18 DG H8 . 35028 1 165 . 1 . 1 19 19 DT H1' H 1 6.227 0.002 7 1 . . . . A 19 DT H1' . 35028 1 166 . 1 . 1 19 19 DT H2' H 1 1.978 0.002 4 1 . . . . A 19 DT H2' . 35028 1 167 . 1 . 1 19 19 DT H2'' H 1 2.450 0.002 6 1 . . . . A 19 DT H2'' . 35028 1 168 . 1 . 1 19 19 DT H3' H 1 4.672 0.002 7 1 . . . . A 19 DT H3' . 35028 1 169 . 1 . 1 19 19 DT H4' H 1 4.119 0.001 5 1 . . . . A 19 DT H4' . 35028 1 170 . 1 . 1 19 19 DT H5' H 1 3.885 0.004 4 1 . . . . A 19 DT H5' . 35028 1 171 . 1 . 1 19 19 DT H5'' H 1 3.710 0.002 6 1 . . . . A 19 DT H5'' . 35028 1 172 . 1 . 1 19 19 DT H6 H 1 7.398 0.000 9 1 . . . . A 19 DT H6 . 35028 1 173 . 1 . 1 19 19 DT H71 H 1 1.999 0.003 8 1 . . . . A 19 DT H71 . 35028 1 174 . 1 . 1 19 19 DT H72 H 1 1.999 0.003 8 1 . . . . A 19 DT H72 . 35028 1 175 . 1 . 1 19 19 DT H73 H 1 1.999 0.003 8 1 . . . . A 19 DT H73 . 35028 1 176 . 1 . 1 20 20 DA H1' H 1 6.555 0.001 10 1 . . . . A 20 DA H1' . 35028 1 177 . 1 . 1 20 20 DA H2' H 1 2.998 0.002 7 1 . . . . A 20 DA H2' . 35028 1 178 . 1 . 1 20 20 DA H2'' H 1 3.046 0.002 6 1 . . . . A 20 DA H2'' . 35028 1 179 . 1 . 1 20 20 DA H3' H 1 5.097 0.001 7 1 . . . . A 20 DA H3' . 35028 1 180 . 1 . 1 20 20 DA H4' H 1 4.551 0.001 7 1 . . . . A 20 DA H4' . 35028 1 181 . 1 . 1 20 20 DA H5' H 1 4.197 0.004 2 1 . . . . A 20 DA H5' . 35028 1 182 . 1 . 1 20 20 DA H5'' H 1 4.184 0.000 2 1 . . . . A 20 DA H5'' . 35028 1 183 . 1 . 1 20 20 DA H8 H 1 8.562 0.000 15 1 . . . . A 20 DA H8 . 35028 1 184 . 1 . 1 21 21 DT H1' H 1 6.289 0.001 5 1 . . . . A 21 DT H1' . 35028 1 185 . 1 . 1 21 21 DT H2' H 1 2.473 0.000 3 1 . . . . A 21 DT H2' . 35028 1 186 . 1 . 1 21 21 DT H2'' H 1 2.577 0.001 3 1 . . . . A 21 DT H2'' . 35028 1 187 . 1 . 1 21 21 DT H3' H 1 4.931 0.004 4 1 . . . . A 21 DT H3' . 35028 1 188 . 1 . 1 21 21 DT H4' H 1 4.408 0.004 5 1 . . . . A 21 DT H4' . 35028 1 189 . 1 . 1 21 21 DT H5' H 1 4.373 0.002 2 1 . . . . A 21 DT H5' . 35028 1 190 . 1 . 1 21 21 DT H5'' H 1 4.264 0.002 2 1 . . . . A 21 DT H5'' . 35028 1 191 . 1 . 1 21 21 DT H6 H 1 7.732 0.000 12 1 . . . . A 21 DT H6 . 35028 1 192 . 1 . 1 21 21 DT H71 H 1 1.897 0.001 8 1 . . . . A 21 DT H71 . 35028 1 193 . 1 . 1 21 21 DT H72 H 1 1.897 0.001 8 1 . . . . A 21 DT H72 . 35028 1 194 . 1 . 1 21 21 DT H73 H 1 1.897 0.001 8 1 . . . . A 21 DT H73 . 35028 1 195 . 1 . 1 22 22 DG H1 H 1 11.969 0.000 1 1 . . . . A 22 DG H1 . 35028 1 196 . 1 . 1 22 22 DG H1' H 1 5.973 0.002 11 1 . . . . A 22 DG H1' . 35028 1 197 . 1 . 1 22 22 DG H2' H 1 3.302 0.001 9 1 . . . . A 22 DG H2' . 35028 1 198 . 1 . 1 22 22 DG H2'' H 1 2.941 0.003 9 1 . . . . A 22 DG H2'' . 35028 1 199 . 1 . 1 22 22 DG H3' H 1 4.888 0.004 7 1 . . . . A 22 DG H3' . 35028 1 200 . 1 . 1 22 22 DG H4' H 1 4.397 0.001 6 1 . . . . A 22 DG H4' . 35028 1 201 . 1 . 1 22 22 DG H5' H 1 4.058 0.004 7 1 . . . . A 22 DG H5' . 35028 1 202 . 1 . 1 22 22 DG H5'' H 1 3.948 0.004 6 1 . . . . A 22 DG H5'' . 35028 1 203 . 1 . 1 22 22 DG H8 H 1 7.361 0.001 17 1 . . . . A 22 DG H8 . 35028 1 204 . 1 . 1 23 23 DG H1 H 1 11.605 0.002 5 1 . . . . A 23 DG H1 . 35028 1 205 . 1 . 1 23 23 DG H1' H 1 5.768 0.001 6 1 . . . . A 23 DG H1' . 35028 1 206 . 1 . 1 23 23 DG H2' H 1 2.575 0.002 4 2 . . . . A 23 DG H2' . 35028 1 207 . 1 . 1 23 23 DG H2'' H 1 2.575 0.002 4 2 . . . . A 23 DG H2'' . 35028 1 208 . 1 . 1 23 23 DG H3' H 1 5.047 0.003 6 1 . . . . A 23 DG H3' . 35028 1 209 . 1 . 1 23 23 DG H4' H 1 4.323 0.000 3 1 . . . . A 23 DG H4' . 35028 1 210 . 1 . 1 23 23 DG H5' H 1 4.308 0.004 2 1 . . . . A 23 DG H5' . 35028 1 211 . 1 . 1 23 23 DG H5'' H 1 4.232 0.000 2 1 . . . . A 23 DG H5'' . 35028 1 212 . 1 . 1 23 23 DG H8 H 1 7.784 0.001 9 1 . . . . A 23 DG H8 . 35028 1 213 . 1 . 1 24 24 DG H1 H 1 11.47 0.003 7 1 . . . . A 24 DG H1 . 35028 1 214 . 1 . 1 24 24 DG H1' H 1 6.256 0.003 9 1 . . . . A 24 DG H1' . 35028 1 215 . 1 . 1 24 24 DG H2' H 1 2.560 0.003 3 1 . . . . A 24 DG H2' . 35028 1 216 . 1 . 1 24 24 DG H2'' H 1 2.744 0.003 4 1 . . . . A 24 DG H2'' . 35028 1 217 . 1 . 1 24 24 DG H3' H 1 4.972 0.003 6 1 . . . . A 24 DG H3' . 35028 1 218 . 1 . 1 24 24 DG H4' H 1 4.536 0.001 4 1 . . . . A 24 DG H4' . 35028 1 219 . 1 . 1 24 24 DG H5' H 1 4.273 0.001 2 2 . . . . A 24 DG H5' . 35028 1 220 . 1 . 1 24 24 DG H5'' H 1 4.273 0.001 2 2 . . . . A 24 DG H5'' . 35028 1 221 . 1 . 1 24 24 DG H8 H 1 7.753 0.001 14 1 . . . . A 24 DG H8 . 35028 1 222 . 1 . 1 25 25 DT H1' H 1 6.093 0.002 8 1 . . . . A 25 DT H1' . 35028 1 223 . 1 . 1 25 25 DT H2' H 1 2.121 0.002 5 1 . . . . A 25 DT H2' . 35028 1 224 . 1 . 1 25 25 DT H2'' H 1 2.399 0.002 5 1 . . . . A 25 DT H2'' . 35028 1 225 . 1 . 1 25 25 DT H3' H 1 4.800 0.000 2 1 . . . . A 25 DT H3' . 35028 1 226 . 1 . 1 25 25 DT H4' H 1 4.222 0.001 5 1 . . . . A 25 DT H4' . 35028 1 227 . 1 . 1 25 25 DT H5' H 1 4.303 0.003 2 2 . . . . A 25 DT H5' . 35028 1 228 . 1 . 1 25 25 DT H5'' H 1 4.303 0.003 2 2 . . . . A 25 DT H5'' . 35028 1 229 . 1 . 1 25 25 DT H6 H 1 7.310 0.005 14 1 . . . . A 25 DT H6 . 35028 1 230 . 1 . 1 25 25 DT H71 H 1 1.679 0.002 10 1 . . . . A 25 DT H71 . 35028 1 231 . 1 . 1 25 25 DT H72 H 1 1.679 0.002 10 1 . . . . A 25 DT H72 . 35028 1 232 . 1 . 1 25 25 DT H73 H 1 1.679 0.002 10 1 . . . . A 25 DT H73 . 35028 1 233 . 1 . 1 26 26 DT H1' H 1 6.080 0.002 3 1 . . . . A 26 DT H1' . 35028 1 234 . 1 . 1 26 26 DT H2' H 1 2.213 0.006 4 2 . . . . A 26 DT H2' . 35028 1 235 . 1 . 1 26 26 DT H2'' H 1 2.213 0.006 4 2 . . . . A 26 DT H2'' . 35028 1 236 . 1 . 1 26 26 DT H3' H 1 4.492 0.001 4 1 . . . . A 26 DT H3' . 35028 1 237 . 1 . 1 26 26 DT H4' H 1 4.001 0.002 6 1 . . . . A 26 DT H4' . 35028 1 238 . 1 . 1 26 26 DT H5' H 1 4.074 0.001 2 2 . . . . A 26 DT H5' . 35028 1 239 . 1 . 1 26 26 DT H5'' H 1 4.074 0.001 2 2 . . . . A 26 DT H5'' . 35028 1 240 . 1 . 1 26 26 DT H6 H 1 7.473 0.000 8 1 . . . . A 26 DT H6 . 35028 1 241 . 1 . 1 26 26 DT H71 H 1 1.694 0.002 3 1 . . . . A 26 DT H71 . 35028 1 242 . 1 . 1 26 26 DT H72 H 1 1.694 0.002 3 1 . . . . A 26 DT H72 . 35028 1 243 . 1 . 1 26 26 DT H73 H 1 1.694 0.002 3 1 . . . . A 26 DT H73 . 35028 1 stop_ save_