################################### # 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 34435 _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' . . . 34435 1 2 '2D 1H-1H NOESY' . . . 34435 1 3 '2D 1H-13C HSQC aromatic' . . . 34435 1 4 '2D 1H-15N HSQC' . . . 34435 1 5 '2D 1H-15N HSQC' . . . 34435 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 DG H1 H 1 11.090 0.000 1 2 . . . . A 1 DG H1 . 34435 1 2 . 1 . 1 1 1 DG H1' H 1 5.841 0.013 9 2 . . . . A 1 DG H1' . 34435 1 3 . 1 . 1 1 1 DG H2' H 1 2.089 0.004 4 2 . . . . A 1 DG H2' . 34435 1 4 . 1 . 1 1 1 DG H2'' H 1 2.219 0.006 4 2 . . . . A 1 DG H2'' . 34435 1 5 . 1 . 1 1 1 DG H3' H 1 4.662 0.008 7 2 . . . . A 1 DG H3' . 34435 1 6 . 1 . 1 1 1 DG H4' H 1 4.049 0.006 5 2 . . . . A 1 DG H4' . 34435 1 7 . 1 . 1 1 1 DG H8 H 1 7.655 0.005 8 2 . . . . A 1 DG H8 . 34435 1 8 . 1 . 1 2 2 DG H1 H 1 10.739 0.000 1 2 . . . . A 2 DG H1 . 34435 1 9 . 1 . 1 2 2 DG H1' H 1 5.594 0.001 8 2 . . . . A 2 DG H1' . 34435 1 10 . 1 . 1 2 2 DG H2' H 1 2.113 0.007 4 2 . . . . A 2 DG H2' . 34435 1 11 . 1 . 1 2 2 DG H2'' H 1 2.218 0.008 4 2 . . . . A 2 DG H2'' . 34435 1 12 . 1 . 1 2 2 DG H3' H 1 4.782 0.007 5 2 . . . . A 2 DG H3' . 34435 1 13 . 1 . 1 2 2 DG H4' H 1 4.075 0.006 7 2 . . . . A 2 DG H4' . 34435 1 14 . 1 . 1 2 2 DG H8 H 1 7.664 0.004 9 2 . . . . A 2 DG H8 . 34435 1 15 . 1 . 1 3 3 DG H1 H 1 10.680 0.000 1 2 . . . . A 3 DG H1 . 34435 1 16 . 1 . 1 3 3 DG H1' H 1 5.705 0.012 8 2 . . . . A 3 DG H1' . 34435 1 17 . 1 . 1 3 3 DG H2' H 1 2.430 0.008 5 2 . . . . A 3 DG H2' . 34435 1 18 . 1 . 1 3 3 DG H2'' H 1 2.497 0.007 6 2 . . . . A 3 DG H2'' . 34435 1 19 . 1 . 1 3 3 DG H3' H 1 4.844 0.009 10 2 . . . . A 3 DG H3' . 34435 1 20 . 1 . 1 3 3 DG H8 H 1 7.683 0.011 10 2 . . . . A 3 DG H8 . 34435 1 21 . 1 . 1 4 4 DA H1' H 1 6.181 0.012 9 2 . . . . A 4 DA H1' . 34435 1 22 . 1 . 1 4 4 DA H2' H 1 2.418 0.032 5 2 . . . . A 4 DA H2' . 34435 1 23 . 1 . 1 4 4 DA H2'' H 1 2.685 0.027 6 2 . . . . A 4 DA H2'' . 34435 1 24 . 1 . 1 4 4 DA H3' H 1 4.332 0.010 8 2 . . . . A 4 DA H3' . 34435 1 25 . 1 . 1 4 4 DA H4' H 1 4.013 0.005 8 2 . . . . A 4 DA H4' . 34435 1 26 . 1 . 1 4 4 DA H8 H 1 7.942 0.008 9 2 . . . . A 4 DA H8 . 34435 1 27 . 1 . 1 5 5 DG H1 H 1 12.928 0.005 4 2 . . . . A 5 DG H1 . 34435 1 28 . 1 . 1 5 5 DG H1' H 1 5.867 0.201 6 2 . . . . A 5 DG H1' . 34435 1 29 . 1 . 1 5 5 DG H2' H 1 2.515 0.007 4 2 . . . . A 5 DG H2' . 34435 1 30 . 1 . 1 5 5 DG H2'' H 1 2.420 0.012 5 2 . . . . A 5 DG H2'' . 34435 1 31 . 1 . 1 5 5 DG H3' H 1 4.824 0.002 6 2 . . . . A 5 DG H3' . 34435 1 32 . 1 . 1 5 5 DG H4' H 1 4.206 0.026 8 2 . . . . A 5 DG H4' . 34435 1 33 . 1 . 1 5 5 DG H8 H 1 7.954 0.008 12 2 . . . . A 5 DG H8 . 34435 1 34 . 1 . 1 6 6 DC H1' H 1 6.017 0.009 7 1 . . . . A 6 DC H1' . 34435 1 35 . 1 . 1 6 6 DC H2' H 1 2.094 0.004 4 1 . . . . A 6 DC H2' . 34435 1 36 . 1 . 1 6 6 DC H2'' H 1 1.366 0.007 5 1 . . . . A 6 DC H2'' . 34435 1 37 . 1 . 1 6 6 DC H3' H 1 4.743 0.022 8 1 . . . . A 6 DC H3' . 34435 1 38 . 1 . 1 6 6 DC H4' H 1 4.172 0.000 1 1 . . . . A 6 DC H4' . 34435 1 39 . 1 . 1 6 6 DC H5 H 1 4.899 0.010 5 1 . . . . A 6 DC H5 . 34435 1 40 . 1 . 1 6 6 DC H6 H 1 6.887 0.000 1 1 . . . . A 6 DC H6 . 34435 1 41 . 1 . 1 7 7 DG H1 H 1 10.284 0.023 11 1 . . . . A 7 DG H1 . 34435 1 42 . 1 . 1 7 7 DG H1' H 1 6.022 0.009 4 1 . . . . A 7 DG H1' . 34435 1 43 . 1 . 1 7 7 DG H2' H 1 2.889 0.007 9 1 . . . . A 7 DG H2' . 34435 1 44 . 1 . 1 7 7 DG H2'' H 1 3.046 0.007 9 1 . . . . A 7 DG H2'' . 34435 1 45 . 1 . 1 7 7 DG H3' H 1 4.691 0.012 10 1 . . . . A 7 DG H3' . 34435 1 46 . 1 . 1 7 7 DG H4' H 1 4.477 0.022 10 1 . . . . A 7 DG H4' . 34435 1 47 . 1 . 1 7 7 DG H5' H 1 4.113 0.004 14 1 . . . . A 7 DG H5' . 34435 1 48 . 1 . 1 7 7 DG H8 H 1 8.111 0.055 24 1 . . . . A 7 DG H8 . 34435 1 49 . 1 . 1 8 8 DA H1' H 1 5.423 0.040 6 1 . . . . A 8 DA H1' . 34435 1 50 . 1 . 1 8 8 DA H2 H 1 7.759 0.011 19 1 . . . . A 8 DA H2 . 34435 1 51 . 1 . 1 8 8 DA H2' H 1 1.644 0.016 18 1 . . . . A 8 DA H2' . 34435 1 52 . 1 . 1 8 8 DA H2'' H 1 -0.129 0.008 15 1 . . . . A 8 DA H2'' . 34435 1 53 . 1 . 1 8 8 DA H3' H 1 4.434 0.000 1 1 . . . . A 8 DA H3' . 34435 1 54 . 1 . 1 8 8 DA H4' H 1 4.267 0.015 10 1 . . . . A 8 DA H4' . 34435 1 55 . 1 . 1 8 8 DA H5' H 1 3.880 0.000 2 1 . . . . A 8 DA H5' . 34435 1 56 . 1 . 1 8 8 DA H8 H 1 7.073 0.006 25 1 . . . . A 8 DA H8 . 34435 1 57 . 1 . 1 9 9 DG H1 H 1 10.165 0.004 10 2 . . . . A 9 DG H1 . 34435 1 58 . 1 . 1 9 9 DG H1' H 1 5.828 0.009 8 2 . . . . A 9 DG H1' . 34435 1 59 . 1 . 1 9 9 DG H2' H 1 2.089 0.007 4 2 . . . . A 9 DG H2' . 34435 1 60 . 1 . 1 9 9 DG H2'' H 1 1.434 0.003 4 2 . . . . A 9 DG H2'' . 34435 1 61 . 1 . 1 9 9 DG H3' H 1 4.491 0.000 1 2 . . . . A 9 DG H3' . 34435 1 62 . 1 . 1 9 9 DG H4' H 1 4.114 0.006 9 2 . . . . A 9 DG H4' . 34435 1 63 . 1 . 1 9 9 DG H8 H 1 6.919 0.016 11 2 . . . . A 9 DG H8 . 34435 1 64 . 1 . 1 10 10 DG H1 H 1 10.917 0.010 9 2 . . . . A 10 DG H1 . 34435 1 65 . 1 . 1 10 10 DG H1' H 1 5.803 0.009 6 2 . . . . A 10 DG H1' . 34435 1 66 . 1 . 1 10 10 DG H2' H 1 2.095 0.007 5 2 . . . . A 10 DG H2' . 34435 1 67 . 1 . 1 10 10 DG H2'' H 1 1.443 0.003 5 2 . . . . A 10 DG H2'' . 34435 1 68 . 1 . 1 10 10 DG H3' H 1 4.433 0.015 9 2 . . . . A 10 DG H3' . 34435 1 69 . 1 . 1 10 10 DG H4' H 1 4.077 0.006 9 2 . . . . A 10 DG H4' . 34435 1 70 . 1 . 1 10 10 DG H8 H 1 8.032 0.012 8 2 . . . . A 10 DG H8 . 34435 1 71 . 1 . 1 11 11 DG H1 H 1 10.137 0.073 9 2 . . . . A 11 DG H1 . 34435 1 72 . 1 . 1 11 11 DG H1' H 1 5.868 0.016 12 2 . . . . A 11 DG H1' . 34435 1 73 . 1 . 1 11 11 DG H2' H 1 2.818 0.005 5 2 . . . . A 11 DG H2' . 34435 1 74 . 1 . 1 11 11 DG H2'' H 1 2.575 0.032 6 2 . . . . A 11 DG H2'' . 34435 1 75 . 1 . 1 11 11 DG H3' H 1 4.486 0.006 10 2 . . . . A 11 DG H3' . 34435 1 76 . 1 . 1 11 11 DG H4' H 1 4.083 0.006 9 2 . . . . A 11 DG H4' . 34435 1 77 . 1 . 1 11 11 DG H8 H 1 8.035 0.005 21 2 . . . . A 11 DG H8 . 34435 1 78 . 1 . 1 12 12 DA H1' H 1 5.445 0.017 6 2 . . . . A 12 DA H1' . 34435 1 79 . 1 . 1 12 12 DA H2 H 1 7.918 0.008 10 2 . . . . A 12 DA H2 . 34435 1 80 . 1 . 1 12 12 DA H2' H 1 2.264 0.007 7 2 . . . . A 12 DA H2' . 34435 1 81 . 1 . 1 12 12 DA H2'' H 1 0.967 0.007 16 2 . . . . A 12 DA H2'' . 34435 1 82 . 1 . 1 12 12 DA H3' H 1 4.736 0.009 9 2 . . . . A 12 DA H3' . 34435 1 83 . 1 . 1 12 12 DA H4' H 1 4.263 0.012 10 2 . . . . A 12 DA H4' . 34435 1 84 . 1 . 1 12 12 DA H5' H 1 4.012 0.007 8 2 . . . . A 12 DA H5' . 34435 1 85 . 1 . 1 12 12 DA H8 H 1 7.397 0.009 23 2 . . . . A 12 DA H8 . 34435 1 86 . 1 . 1 13 13 DG H1 H 1 12.776 0.004 10 2 . . . . A 13 DG H1 . 34435 1 87 . 1 . 1 13 13 DG H1' H 1 5.359 0.053 6 2 . . . . A 13 DG H1' . 34435 1 88 . 1 . 1 13 13 DG H2' H 1 2.418 0.030 7 2 . . . . A 13 DG H2' . 34435 1 89 . 1 . 1 13 13 DG H2'' H 1 2.493 0.009 3 2 . . . . A 13 DG H2'' . 34435 1 90 . 1 . 1 13 13 DG H3' H 1 4.735 0.004 7 2 . . . . A 13 DG H3' . 34435 1 91 . 1 . 1 13 13 DG H4' H 1 4.259 0.006 5 2 . . . . A 13 DG H4' . 34435 1 92 . 1 . 1 13 13 DG H8 H 1 7.845 0.003 13 2 . . . . A 13 DG H8 . 34435 1 93 . 1 . 1 14 14 DC H1' H 1 5.873 0.006 9 2 . . . . A 14 DC H1' . 34435 1 94 . 1 . 1 14 14 DC H2' H 1 1.515 0.012 6 2 . . . . A 14 DC H2' . 34435 1 95 . 1 . 1 14 14 DC H2'' H 1 2.091 0.002 3 2 . . . . A 14 DC H2'' . 34435 1 96 . 1 . 1 14 14 DC H3' H 1 4.665 0.009 8 2 . . . . A 14 DC H3' . 34435 1 97 . 1 . 1 14 14 DC H4' H 1 4.079 0.014 6 2 . . . . A 14 DC H4' . 34435 1 98 . 1 . 1 14 14 DC H5 H 1 4.986 0.004 3 2 . . . . A 14 DC H5 . 34435 1 99 . 1 . 1 14 14 DC H6 H 1 6.945 0.003 10 2 . . . . A 14 DC H6 . 34435 1 100 . 1 . 1 15 15 DG H1 H 1 10.771 0.000 1 2 . . . . A 15 DG H1 . 34435 1 101 . 1 . 1 15 15 DG H1' H 1 5.445 0.005 4 2 . . . . A 15 DG H1' . 34435 1 102 . 1 . 1 15 15 DG H2' H 1 2.245 0.009 4 2 . . . . A 15 DG H2' . 34435 1 103 . 1 . 1 15 15 DG H2'' H 1 2.493 0.023 4 2 . . . . A 15 DG H2'' . 34435 1 104 . 1 . 1 15 15 DG H3' H 1 4.556 0.004 5 2 . . . . A 15 DG H3' . 34435 1 105 . 1 . 1 15 15 DG H4' H 1 4.244 0.021 5 2 . . . . A 15 DG H4' . 34435 1 106 . 1 . 1 15 15 DG H8 H 1 8.036 0.018 7 2 . . . . A 15 DG H8 . 34435 1 107 . 1 . 1 16 16 DA H1' H 1 5.461 0.006 4 1 . . . . A 16 DA H1' . 34435 1 108 . 1 . 1 16 16 DA H2 H 1 7.747 0.003 4 1 . . . . A 16 DA H2 . 34435 1 109 . 1 . 1 16 16 DA H2' H 1 2.641 0.002 4 1 . . . . A 16 DA H2' . 34435 1 110 . 1 . 1 16 16 DA H2'' H 1 2.341 0.004 4 1 . . . . A 16 DA H2'' . 34435 1 111 . 1 . 1 16 16 DA H3' H 1 4.612 0.011 4 1 . . . . A 16 DA H3' . 34435 1 112 . 1 . 1 16 16 DA H8 H 1 7.605 0.002 6 1 . . . . A 16 DA H8 . 34435 1 113 . 1 . 1 17 17 DG H1 H 1 11.090 0.000 1 2 . . . . A 17 DG H1 . 34435 1 114 . 1 . 1 17 17 DG H1' H 1 5.841 0.013 9 2 . . . . A 17 DG H1' . 34435 1 115 . 1 . 1 17 17 DG H2' H 1 2.089 0.004 4 2 . . . . A 17 DG H2' . 34435 1 116 . 1 . 1 17 17 DG H2'' H 1 2.219 0.006 4 2 . . . . A 17 DG H2'' . 34435 1 117 . 1 . 1 17 17 DG H3' H 1 4.662 0.008 7 2 . . . . A 17 DG H3' . 34435 1 118 . 1 . 1 17 17 DG H4' H 1 4.049 0.006 5 2 . . . . A 17 DG H4' . 34435 1 119 . 1 . 1 17 17 DG H8 H 1 7.655 0.005 8 2 . . . . A 17 DG H8 . 34435 1 120 . 1 . 1 18 18 DG H1 H 1 10.739 0.000 1 2 . . . . A 18 DG H1 . 34435 1 121 . 1 . 1 18 18 DG H1' H 1 5.594 0.001 8 2 . . . . A 18 DG H1' . 34435 1 122 . 1 . 1 18 18 DG H2' H 1 2.113 0.007 4 2 . . . . A 18 DG H2' . 34435 1 123 . 1 . 1 18 18 DG H2'' H 1 2.218 0.008 4 2 . . . . A 18 DG H2'' . 34435 1 124 . 1 . 1 18 18 DG H3' H 1 4.782 0.007 5 2 . . . . A 18 DG H3' . 34435 1 125 . 1 . 1 18 18 DG H4' H 1 4.075 0.006 7 2 . . . . A 18 DG H4' . 34435 1 126 . 1 . 1 18 18 DG H8 H 1 7.664 0.004 9 2 . . . . A 18 DG H8 . 34435 1 127 . 1 . 1 19 19 DG H1 H 1 10.680 0.000 1 2 . . . . A 19 DG H1 . 34435 1 128 . 1 . 1 19 19 DG H1' H 1 5.705 0.012 8 2 . . . . A 19 DG H1' . 34435 1 129 . 1 . 1 19 19 DG H2' H 1 2.430 0.008 5 2 . . . . A 19 DG H2' . 34435 1 130 . 1 . 1 19 19 DG H2'' H 1 2.497 0.007 6 2 . . . . A 19 DG H2'' . 34435 1 131 . 1 . 1 19 19 DG H3' H 1 4.844 0.009 10 2 . . . . A 19 DG H3' . 34435 1 132 . 1 . 1 19 19 DG H8 H 1 7.683 0.011 10 2 . . . . A 19 DG H8 . 34435 1 133 . 1 . 1 20 20 DA H1' H 1 6.181 0.012 9 2 . . . . A 20 DA H1' . 34435 1 134 . 1 . 1 20 20 DA H2' H 1 2.685 0.027 6 2 . . . . A 20 DA H2' . 34435 1 135 . 1 . 1 20 20 DA H2'' H 1 2.418 0.032 5 2 . . . . A 20 DA H2'' . 34435 1 136 . 1 . 1 20 20 DA H3' H 1 4.332 0.010 8 2 . . . . A 20 DA H3' . 34435 1 137 . 1 . 1 20 20 DA H4' H 1 4.013 0.005 8 2 . . . . A 20 DA H4' . 34435 1 138 . 1 . 1 20 20 DA H8 H 1 7.942 0.008 9 2 . . . . A 20 DA H8 . 34435 1 139 . 1 . 1 21 21 DG H1 H 1 12.928 0.005 4 2 . . . . A 21 DG H1 . 34435 1 140 . 1 . 1 21 21 DG H1' H 1 5.867 0.201 6 2 . . . . A 21 DG H1' . 34435 1 141 . 1 . 1 21 21 DG H2' H 1 2.515 0.007 4 2 . . . . A 21 DG H2' . 34435 1 142 . 1 . 1 21 21 DG H2'' H 1 2.420 0.012 5 2 . . . . A 21 DG H2'' . 34435 1 143 . 1 . 1 21 21 DG H3' H 1 4.824 0.002 6 2 . . . . A 21 DG H3' . 34435 1 144 . 1 . 1 21 21 DG H4' H 1 4.206 0.026 8 2 . . . . A 21 DG H4' . 34435 1 145 . 1 . 1 21 21 DG H8 H 1 7.954 0.008 12 2 . . . . A 21 DG H8 . 34435 1 146 . 1 . 1 22 22 DC H1' H 1 6.017 0.009 7 1 . . . . A 22 DC H1' . 34435 1 147 . 1 . 1 22 22 DC H2' H 1 2.094 0.004 4 1 . . . . A 22 DC H2' . 34435 1 148 . 1 . 1 22 22 DC H2'' H 1 1.366 0.007 5 1 . . . . A 22 DC H2'' . 34435 1 149 . 1 . 1 22 22 DC H3' H 1 4.743 0.022 8 1 . . . . A 22 DC H3' . 34435 1 150 . 1 . 1 22 22 DC H4' H 1 4.172 0.000 1 1 . . . . A 22 DC H4' . 34435 1 151 . 1 . 1 22 22 DC H5 H 1 4.899 0.010 5 1 . . . . A 22 DC H5 . 34435 1 152 . 1 . 1 22 22 DC H6 H 1 6.832 0.006 10 1 . . . . A 22 DC H6 . 34435 1 153 . 1 . 1 23 23 DG H1 H 1 10.324 0.023 11 1 . . . . A 23 DG H1 . 34435 1 154 . 1 . 1 23 23 DG H1' H 1 6.022 0.009 4 1 . . . . A 23 DG H1' . 34435 1 155 . 1 . 1 23 23 DG H2' H 1 2.889 0.007 9 1 . . . . A 23 DG H2' . 34435 1 156 . 1 . 1 23 23 DG H2'' H 1 3.046 0.007 9 1 . . . . A 23 DG H2'' . 34435 1 157 . 1 . 1 23 23 DG H3' H 1 4.691 0.012 10 1 . . . . A 23 DG H3' . 34435 1 158 . 1 . 1 23 23 DG H4' H 1 4.477 0.022 10 1 . . . . A 23 DG H4' . 34435 1 159 . 1 . 1 23 23 DG H5' H 1 4.113 0.004 14 1 . . . . A 23 DG H5' . 34435 1 160 . 1 . 1 23 23 DG H8 H 1 8.283 0.055 24 1 . . . . A 23 DG H8 . 34435 1 161 . 1 . 1 24 24 DA H1' H 1 5.423 0.040 6 1 . . . . A 24 DA H1' . 34435 1 162 . 1 . 1 24 24 DA H2 H 1 7.759 0.011 19 1 . . . . A 24 DA H2 . 34435 1 163 . 1 . 1 24 24 DA H2' H 1 1.644 0.016 18 1 . . . . A 24 DA H2' . 34435 1 164 . 1 . 1 24 24 DA H2'' H 1 -0.129 0.008 15 1 . . . . A 24 DA H2'' . 34435 1 165 . 1 . 1 24 24 DA H3' H 1 4.434 0.000 1 1 . . . . A 24 DA H3' . 34435 1 166 . 1 . 1 24 24 DA H4' H 1 4.267 0.015 10 1 . . . . A 24 DA H4' . 34435 1 167 . 1 . 1 24 24 DA H5' H 1 3.880 0.000 2 1 . . . . A 24 DA H5' . 34435 1 168 . 1 . 1 24 24 DA H8 H 1 7.306 0.006 25 1 . . . . A 24 DA H8 . 34435 1 169 . 1 . 1 25 25 DG H1 H 1 10.165 0.004 10 2 . . . . A 25 DG H1 . 34435 1 170 . 1 . 1 25 25 DG H1' H 1 5.828 0.009 8 2 . . . . A 25 DG H1' . 34435 1 171 . 1 . 1 25 25 DG H2' H 1 2.089 0.007 4 2 . . . . A 25 DG H2' . 34435 1 172 . 1 . 1 25 25 DG H2'' H 1 1.434 0.003 4 2 . . . . A 25 DG H2'' . 34435 1 173 . 1 . 1 25 25 DG H3' H 1 4.491 0.000 1 2 . . . . A 25 DG H3' . 34435 1 174 . 1 . 1 25 25 DG H4' H 1 4.114 0.006 9 2 . . . . A 25 DG H4' . 34435 1 175 . 1 . 1 25 25 DG H8 H 1 6.919 0.016 11 2 . . . . A 25 DG H8 . 34435 1 176 . 1 . 1 26 26 DG H1 H 1 10.917 0.010 9 2 . . . . A 26 DG H1 . 34435 1 177 . 1 . 1 26 26 DG H1' H 1 5.803 0.009 6 2 . . . . A 26 DG H1' . 34435 1 178 . 1 . 1 26 26 DG H2' H 1 2.095 0.007 5 2 . . . . A 26 DG H2' . 34435 1 179 . 1 . 1 26 26 DG H2'' H 1 1.443 0.003 5 2 . . . . A 26 DG H2'' . 34435 1 180 . 1 . 1 26 26 DG H3' H 1 4.433 0.015 9 2 . . . . A 26 DG H3' . 34435 1 181 . 1 . 1 26 26 DG H4' H 1 4.077 0.006 9 2 . . . . A 26 DG H4' . 34435 1 182 . 1 . 1 26 26 DG H8 H 1 8.032 0.012 8 2 . . . . A 26 DG H8 . 34435 1 183 . 1 . 1 27 27 DG H1 H 1 10.137 0.073 9 2 . . . . A 27 DG H1 . 34435 1 184 . 1 . 1 27 27 DG H1' H 1 5.868 0.016 12 2 . . . . A 27 DG H1' . 34435 1 185 . 1 . 1 27 27 DG H2' H 1 2.818 0.005 5 2 . . . . A 27 DG H2' . 34435 1 186 . 1 . 1 27 27 DG H2'' H 1 2.575 0.032 6 2 . . . . A 27 DG H2'' . 34435 1 187 . 1 . 1 27 27 DG H3' H 1 4.486 0.006 10 2 . . . . A 27 DG H3' . 34435 1 188 . 1 . 1 27 27 DG H4' H 1 4.083 0.006 9 2 . . . . A 27 DG H4' . 34435 1 189 . 1 . 1 27 27 DG H8 H 1 8.035 0.005 21 2 . . . . A 27 DG H8 . 34435 1 190 . 1 . 1 28 28 DA H1' H 1 5.445 0.017 6 2 . . . . A 28 DA H1' . 34435 1 191 . 1 . 1 28 28 DA H2 H 1 7.918 0.008 10 2 . . . . A 28 DA H2 . 34435 1 192 . 1 . 1 28 28 DA H2' H 1 2.264 0.007 7 2 . . . . A 28 DA H2' . 34435 1 193 . 1 . 1 28 28 DA H2'' H 1 0.967 0.007 16 2 . . . . A 28 DA H2'' . 34435 1 194 . 1 . 1 28 28 DA H3' H 1 4.736 0.009 9 2 . . . . A 28 DA H3' . 34435 1 195 . 1 . 1 28 28 DA H4' H 1 4.263 0.012 10 2 . . . . A 28 DA H4' . 34435 1 196 . 1 . 1 28 28 DA H5' H 1 4.012 0.007 8 2 . . . . A 28 DA H5' . 34435 1 197 . 1 . 1 28 28 DA H8 H 1 7.429 0.009 23 2 . . . . A 28 DA H8 . 34435 1 198 . 1 . 1 29 29 DG H1 H 1 12.776 0.004 10 2 . . . . A 29 DG H1 . 34435 1 199 . 1 . 1 29 29 DG H1' H 1 5.359 0.053 6 2 . . . . A 29 DG H1' . 34435 1 200 . 1 . 1 29 29 DG H2' H 1 2.418 0.030 7 2 . . . . A 29 DG H2' . 34435 1 201 . 1 . 1 29 29 DG H2'' H 1 2.493 0.009 3 2 . . . . A 29 DG H2'' . 34435 1 202 . 1 . 1 29 29 DG H3' H 1 4.735 0.004 7 2 . . . . A 29 DG H3' . 34435 1 203 . 1 . 1 29 29 DG H4' H 1 4.259 0.006 5 2 . . . . A 29 DG H4' . 34435 1 204 . 1 . 1 29 29 DG H8 H 1 7.845 0.003 13 2 . . . . A 29 DG H8 . 34435 1 205 . 1 . 1 30 30 DC H1' H 1 5.873 0.006 9 2 . . . . A 30 DC H1' . 34435 1 206 . 1 . 1 30 30 DC H2' H 1 2.091 0.002 3 2 . . . . A 30 DC H2' . 34435 1 207 . 1 . 1 30 30 DC H2'' H 1 1.515 0.012 6 2 . . . . A 30 DC H2'' . 34435 1 208 . 1 . 1 30 30 DC H3' H 1 4.665 0.009 8 2 . . . . A 30 DC H3' . 34435 1 209 . 1 . 1 30 30 DC H4' H 1 4.079 0.014 6 2 . . . . A 30 DC H4' . 34435 1 210 . 1 . 1 30 30 DC H5 H 1 4.986 0.004 3 2 . . . . A 30 DC H5 . 34435 1 211 . 1 . 1 30 30 DC H6 H 1 6.945 0.003 10 2 . . . . A 30 DC H6 . 34435 1 212 . 1 . 1 31 31 DG H1' H 1 5.445 0.005 4 2 . . . . A 31 DG H1' . 34435 1 213 . 1 . 1 31 31 DG H2' H 1 2.245 0.009 4 2 . . . . A 31 DG H2' . 34435 1 214 . 1 . 1 31 31 DG H2'' H 1 2.493 0.023 4 2 . . . . A 31 DG H2'' . 34435 1 215 . 1 . 1 31 31 DG H3' H 1 4.556 0.004 5 2 . . . . A 31 DG H3' . 34435 1 216 . 1 . 1 31 31 DG H4' H 1 4.244 0.021 5 2 . . . . A 31 DG H4' . 34435 1 217 . 1 . 1 31 31 DG H8 H 1 8.036 0.018 7 2 . . . . A 31 DG H8 . 34435 1 218 . 2 . 2 1 1 LWQ H8 H 1 7.816 0.010 2 4 . . . . A 101 LWQ H8 . 34435 1 219 . 2 . 2 1 1 LWQ H11 H 1 7.816 0.010 2 4 . . . . A 101 LWQ H11 . 34435 1 220 . 2 . 2 1 1 LWQ H14 H 1 7.816 0.010 2 4 . . . . A 101 LWQ H14 . 34435 1 221 . 2 . 2 1 1 LWQ H17 H 1 7.816 0.010 2 4 . . . . A 101 LWQ H17 . 34435 1 222 . 2 . 2 1 1 LWQ H18 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H18 . 34435 1 223 . 2 . 2 1 1 LWQ H19 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H19 . 34435 1 224 . 2 . 2 1 1 LWQ H20 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H20 . 34435 1 225 . 2 . 2 1 1 LWQ H21 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H21 . 34435 1 226 . 2 . 2 1 1 LWQ H22 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H22 . 34435 1 227 . 2 . 2 1 1 LWQ H23 H 1 4.678 0.010 10 6 . . . . A 101 LWQ H23 . 34435 1 228 . 2 . 2 1 1 LWQ H6 H 1 8.976 0.012 26 2 . . . . A 101 LWQ H6 . 34435 1 229 . 2 . 2 1 1 LWQ H13 H 1 8.976 0.012 26 2 . . . . A 101 LWQ H13 . 34435 1 230 . 2 . 2 1 1 LWQ H7 H 1 8.753 0.005 29 2 . . . . A 101 LWQ H7 . 34435 1 231 . 2 . 2 1 1 LWQ H12 H 1 8.753 0.005 29 2 . . . . A 101 LWQ H12 . 34435 1 232 . 2 . 2 1 1 LWQ H4 H 1 10.913 0.006 18 2 . . . . A 101 LWQ H4 . 34435 1 233 . 2 . 2 1 1 LWQ H5 H 1 10.913 0.006 18 2 . . . . A 101 LWQ H5 . 34435 1 234 . 2 . 2 1 1 LWQ H1 H 1 8.094 0.113 4 2 . . . . A 101 LWQ H1 . 34435 1 235 . 2 . 2 1 1 LWQ H2 H 1 8.094 0.113 4 2 . . . . A 101 LWQ H2 . 34435 1 stop_ save_