################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5167 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5167 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 DC H1' H 1 6.010 0.003 . 1 . . . . . . . . 5167 1 2 . 1 1 1 1 DC H2'' H 1 2.579 0.002 . 1 . . . . . . . . 5167 1 3 . 1 1 1 1 DC H2' H 1 2.264 0.004 . 1 . . . . . . . . 5167 1 4 . 1 1 1 1 DC H3' H 1 4.694 0.003 . 1 . . . . . . . . 5167 1 5 . 1 1 1 1 DC H4' H 1 4.139 0.003 . 1 . . . . . . . . 5167 1 6 . 1 1 1 1 DC H41 H 1 7.881 0.005 . 1 . . . . . . . . 5167 1 7 . 1 1 1 1 DC H42 H 1 7.127 0.005 . 1 . . . . . . . . 5167 1 8 . 1 1 1 1 DC H5 H 1 5.977 0.006 . 1 . . . . . . . . 5167 1 9 . 1 1 1 1 DC H6 H 1 7.831 0.004 . 1 . . . . . . . . 5167 1 10 . 1 1 1 1 DC H5'' H 1 3.793 0.011 . 2 . . . . . . . . 5167 1 11 . 1 1 1 1 DC H5' H 1 3.793 0.011 . 2 . . . . . . . . 5167 1 12 . 1 1 2 2 DC H1' H 1 5.989 0.003 . 1 . . . . . . . . 5167 1 13 . 1 1 2 2 DC H2'' H 1 2.477 0.003 . 1 . . . . . . . . 5167 1 14 . 1 1 2 2 DC H2' H 1 2.127 0.007 . 1 . . . . . . . . 5167 1 15 . 1 1 2 2 DC H3' H 1 4.822 0.003 . 1 . . . . . . . . 5167 1 16 . 1 1 2 2 DC H4' H 1 4.191 0.004 . 1 . . . . . . . . 5167 1 17 . 1 1 2 2 DC H41 H 1 8.514 0.005 . 1 . . . . . . . . 5167 1 18 . 1 1 2 2 DC H42 H 1 7.093 0.005 . 1 . . . . . . . . 5167 1 19 . 1 1 2 2 DC H5 H 1 5.650 0.004 . 1 . . . . . . . . 5167 1 20 . 1 1 2 2 DC H6 H 1 7.668 0.004 . 1 . . . . . . . . 5167 1 21 . 1 1 3 3 DT H1' H 1 5.520 0.005 . 1 . . . . . . . . 5167 1 22 . 1 1 3 3 DT H2'' H 1 2.431 0.003 . 1 . . . . . . . . 5167 1 23 . 1 1 3 3 DT H2' H 1 2.137 0.005 . 1 . . . . . . . . 5167 1 24 . 1 1 3 3 DT H3 H 1 13.691 0.005 . 1 . . . . . . . . 5167 1 25 . 1 1 3 3 DT H3' H 1 4.874 0.004 . 1 . . . . . . . . 5167 1 26 . 1 1 3 3 DT H4' H 1 4.151 0.005 . 1 . . . . . . . . 5167 1 27 . 1 1 3 3 DT H6 H 1 7.420 0.002 . 1 . . . . . . . . 5167 1 28 . 1 1 3 3 DT H71 H 1 1.676 0.002 . 1 . . . . . . . . 5167 1 29 . 1 1 3 3 DT H72 H 1 1.676 0.002 . 1 . . . . . . . . 5167 1 30 . 1 1 3 3 DT H73 H 1 1.676 0.002 . 1 . . . . . . . . 5167 1 31 . 1 1 4 4 DA H1' H 1 5.968 0.005 . 1 . . . . . . . . 5167 1 32 . 1 1 4 4 DA H2 H 1 6.806 0.005 . 1 . . . . . . . . 5167 1 33 . 1 1 4 4 DA H2'' H 1 2.941 0.003 . 1 . . . . . . . . 5167 1 34 . 1 1 4 4 DA H2' H 1 2.791 0.003 . 1 . . . . . . . . 5167 1 35 . 1 1 4 4 DA H3' H 1 5.072 0.004 . 1 . . . . . . . . 5167 1 36 . 1 1 4 4 DA H4' H 1 4.447 0.002 . 1 . . . . . . . . 5167 1 37 . 1 1 4 4 DA H61 H 1 7.511 0.008 . 1 . . . . . . . . 5167 1 38 . 1 1 4 4 DA H62 H 1 6.364 0.005 . 1 . . . . . . . . 5167 1 39 . 1 1 4 4 DA H8 H 1 8.303 0.003 . 1 . . . . . . . . 5167 1 40 . 1 1 5 5 DA H1' H 1 6.153 0.004 . 1 . . . . . . . . 5167 1 41 . 1 1 5 5 DA H2 H 1 7.480 0.004 . 1 . . . . . . . . 5167 1 42 . 1 1 5 5 DA H2'' H 1 2.924 0.003 . 1 . . . . . . . . 5167 1 43 . 1 1 5 5 DA H2' H 1 2.585 0.006 . 1 . . . . . . . . 5167 1 44 . 1 1 5 5 DA H3' H 1 5.017 0.004 . 1 . . . . . . . . 5167 1 45 . 1 1 5 5 DA H4' H 1 4.495 0.002 . 1 . . . . . . . . 5167 1 46 . 1 1 5 5 DA H5'' H 1 4.258 0.007 . 1 . . . . . . . . 5167 1 47 . 1 1 5 5 DA H5' H 1 4.306 0.012 . 1 . . . . . . . . 5167 1 48 . 1 1 5 5 DA H61 H 1 7.199 0.007 . 1 . . . . . . . . 5167 1 49 . 1 1 5 5 DA H62 H 1 6.142 0.005 . 1 . . . . . . . . 5167 1 50 . 1 1 5 5 DA H8 H 1 8.190 0.002 . 1 . . . . . . . . 5167 1 51 . 1 1 6 6 DT H1' H 1 5.870 0.003 . 1 . . . . . . . . 5167 1 52 . 1 1 6 6 DT H2'' H 1 2.542 0.003 . 1 . . . . . . . . 5167 1 53 . 1 1 6 6 DT H2' H 1 1.995 0.004 . 1 . . . . . . . . 5167 1 54 . 1 1 6 6 DT H3 H 1 13.670 0.005 . 1 . . . . . . . . 5167 1 55 . 1 1 6 6 DT H3' H 1 4.818 0.003 . 1 . . . . . . . . 5167 1 56 . 1 1 6 6 DT H4' H 1 4.190 0.003 . 1 . . . . . . . . 5167 1 57 . 1 1 6 6 DT H6 H 1 7.141 0.002 . 1 . . . . . . . . 5167 1 58 . 1 1 6 6 DT H71 H 1 1.272 0.002 . 1 . . . . . . . . 5167 1 59 . 1 1 6 6 DT H72 H 1 1.272 0.002 . 1 . . . . . . . . 5167 1 60 . 1 1 6 6 DT H73 H 1 1.272 0.002 . 1 . . . . . . . . 5167 1 61 . 1 1 7 7 DT H1' H 1 5.933 0.004 . 1 . . . . . . . . 5167 1 62 . 1 1 7 7 DT H2'' H 1 2.628 0.004 . 1 . . . . . . . . 5167 1 63 . 1 1 7 7 DT H2' H 1 2.256 0.003 . 1 . . . . . . . . 5167 1 64 . 1 1 7 7 DT H3 H 1 13.409 0.001 . 1 . . . . . . . . 5167 1 65 . 1 1 7 7 DT H3' H 1 4.931 0.006 . 1 . . . . . . . . 5167 1 66 . 1 1 7 7 DT H4' H 1 4.264 0.004 . 1 . . . . . . . . 5167 1 67 . 1 1 7 7 DT H6 H 1 7.372 0.003 . 1 . . . . . . . . 5167 1 68 . 1 1 7 7 DT H71 H 1 1.556 0.003 . 1 . . . . . . . . 5167 1 69 . 1 1 7 7 DT H72 H 1 1.556 0.003 . 1 . . . . . . . . 5167 1 70 . 1 1 7 7 DT H73 H 1 1.556 0.003 . 1 . . . . . . . . 5167 1 71 . 1 1 8 8 DA H1' H 1 6.190 0.003 . 1 . . . . . . . . 5167 1 72 . 1 1 8 8 DA H2 H 1 6.898 0.003 . 1 . . . . . . . . 5167 1 73 . 1 1 8 8 DA H2'' H 1 2.953 0.002 . 1 . . . . . . . . 5167 1 74 . 1 1 8 8 DA H2' H 1 2.639 0.006 . 1 . . . . . . . . 5167 1 75 . 1 1 8 8 DA H3' H 1 5.033 0.006 . 1 . . . . . . . . 5167 1 76 . 1 1 8 8 DA H4' H 1 4.459 0.004 . 1 . . . . . . . . 5167 1 77 . 1 1 8 8 DA H61 H 1 7.425 0.005 . 1 . . . . . . . . 5167 1 78 . 1 1 8 8 DA H62 H 1 6.261 0.005 . 1 . . . . . . . . 5167 1 79 . 1 1 8 8 DA H8 H 1 8.291 0.003 . 1 . . . . . . . . 5167 1 80 . 1 1 9 9 DT H1' H 1 5.646 0.006 . 1 . . . . . . . . 5167 1 81 . 1 1 9 9 DT H2'' H 1 2.471 0.004 . 1 . . . . . . . . 5167 1 82 . 1 1 9 9 DT H2' H 1 2.070 0.005 . 1 . . . . . . . . 5167 1 83 . 1 1 9 9 DT H3 H 1 13.127 0.005 . 1 . . . . . . . . 5167 1 84 . 1 1 9 9 DT H3' H 1 4.898 0.004 . 1 . . . . . . . . 5167 1 85 . 1 1 9 9 DT H4' H 1 4.202 0.005 . 1 . . . . . . . . 5167 1 86 . 1 1 9 9 DT H6 H 1 7.141 0.004 . 1 . . . . . . . . 5167 1 87 . 1 1 9 9 DT H71 H 1 1.293 0.002 . 1 . . . . . . . . 5167 1 88 . 1 1 9 9 DT H72 H 1 1.293 0.002 . 1 . . . . . . . . 5167 1 89 . 1 1 9 9 DT H73 H 1 1.293 0.002 . 1 . . . . . . . . 5167 1 90 . 1 1 10 10 DA H1' H 1 5.956 0.006 . 1 . . . . . . . . 5167 1 91 . 1 1 10 10 DA H2 H 1 6.690 0.004 . 1 . . . . . . . . 5167 1 92 . 1 1 10 10 DA H2'' H 1 2.896 0.003 . 1 . . . . . . . . 5167 1 93 . 1 1 10 10 DA H2' H 1 2.691 0.007 . 1 . . . . . . . . 5167 1 94 . 1 1 10 10 DA H3' H 1 5.056 0.002 . 1 . . . . . . . . 5167 1 95 . 1 1 10 10 DA H4' H 1 4.417 0.003 . 1 . . . . . . . . 5167 1 96 . 1 1 10 10 DA H8 H 1 8.210 0.003 . 1 . . . . . . . . 5167 1 97 . 1 1 11 11 DA H1' H 1 6.047 0.003 . 1 . . . . . . . . 5167 1 98 . 1 1 11 11 DA H2 H 1 7.716 0.004 . 1 . . . . . . . . 5167 1 99 . 1 1 11 11 DA H2'' H 1 2.671 0.002 . 1 . . . . . . . . 5167 1 100 . 1 1 11 11 DA H2' H 1 2.309 0.004 . 1 . . . . . . . . 5167 1 101 . 1 1 11 11 DA H3' H 1 4.948 0.005 . 1 . . . . . . . . 5167 1 102 . 1 1 11 11 DA H4' H 1 4.377 0.002 . 1 . . . . . . . . 5167 1 103 . 1 1 11 11 DA H61 H 1 7.658 0.005 . 1 . . . . . . . . 5167 1 104 . 1 1 11 11 DA H62 H 1 6.025 0.005 . 1 . . . . . . . . 5167 1 105 . 1 1 11 11 DA H8 H 1 7.947 0.003 . 1 . . . . . . . . 5167 1 106 . 1 1 11 11 DA H5'' H 1 4.228 0.005 . 2 . . . . . . . . 5167 1 107 . 1 1 11 11 DA H5' H 1 4.228 0.005 . 2 . . . . . . . . 5167 1 108 . 1 1 12 12 DC H1' H 1 5.713 0.005 . 1 . . . . . . . . 5167 1 109 . 1 1 12 12 DC H2'' H 1 2.166 0.008 . 1 . . . . . . . . 5167 1 110 . 1 1 12 12 DC H2' H 1 1.572 0.011 . 1 . . . . . . . . 5167 1 111 . 1 1 12 12 DC H3' H 1 4.775 0.002 . 1 . . . . . . . . 5167 1 112 . 1 1 12 12 DC H4' H 1 4.134 0.002 . 1 . . . . . . . . 5167 1 113 . 1 1 12 12 DC H41 H 1 8.229 0.005 . 1 . . . . . . . . 5167 1 114 . 1 1 12 12 DC H42 H 1 6.712 0.005 . 1 . . . . . . . . 5167 1 115 . 1 1 12 12 DC H5 H 1 4.776 0.004 . 1 . . . . . . . . 5167 1 116 . 1 1 12 12 DC H6 H 1 6.804 0.004 . 1 . . . . . . . . 5167 1 117 . 1 1 12 12 DC H5'' H 1 4.060 0.003 . 2 . . . . . . . . 5167 1 118 . 1 1 12 12 DC H5' H 1 4.060 0.003 . 2 . . . . . . . . 5167 1 119 . 1 1 13 13 DG H1' H 1 5.228 0.005 . 1 . . . . . . . . 5167 1 120 . 1 1 13 13 DG H2'' H 1 2.481 0.003 . 1 . . . . . . . . 5167 1 121 . 1 1 13 13 DG H2' H 1 2.617 0.005 . 1 . . . . . . . . 5167 1 122 . 1 1 13 13 DG H3' H 1 4.851 0.002 . 1 . . . . . . . . 5167 1 123 . 1 1 13 13 DG H4' H 1 4.377 0.003 . 1 . . . . . . . . 5167 1 124 . 1 1 13 13 DG H8 H 1 8.047 0.003 . 1 . . . . . . . . 5167 1 125 . 1 1 13 13 DG H5'' H 1 4.024 0.005 . 2 . . . . . . . . 5167 1 126 . 1 1 13 13 DG H5' H 1 4.024 0.005 . 2 . . . . . . . . 5167 1 127 . 1 1 14 14 DA H1' H 1 5.942 0.006 . 1 . . . . . . . . 5167 1 128 . 1 1 14 14 DA H2'' H 1 2.267 0.005 . 1 . . . . . . . . 5167 1 129 . 1 1 14 14 DA H2' H 1 2.222 0.004 . 1 . . . . . . . . 5167 1 130 . 1 1 14 14 DA H3' H 1 4.560 0.002 . 1 . . . . . . . . 5167 1 131 . 1 1 14 14 DA H4' H 1 2.076 0.002 . 1 . . . . . . . . 5167 1 132 . 1 1 14 14 DA H5'' H 1 3.334 0.004 . 1 . . . . . . . . 5167 1 133 . 1 1 14 14 DA H5' H 1 2.909 0.004 . 1 . . . . . . . . 5167 1 134 . 1 1 14 14 DA H8 H 1 8.071 0.003 . 1 . . . . . . . . 5167 1 135 . 1 1 15 15 DA H1' H 1 6.279 0.004 . 1 . . . . . . . . 5167 1 136 . 1 1 15 15 DA H2 H 1 8.085 0.002 . 1 . . . . . . . . 5167 1 137 . 1 1 15 15 DA H3' H 1 4.833 0.003 . 1 . . . . . . . . 5167 1 138 . 1 1 15 15 DA H4' H 1 4.351 0.002 . 1 . . . . . . . . 5167 1 139 . 1 1 15 15 DA H5'' H 1 3.994 0.005 . 1 . . . . . . . . 5167 1 140 . 1 1 15 15 DA H5' H 1 3.824 0.005 . 1 . . . . . . . . 5167 1 141 . 1 1 15 15 DA H8 H 1 7.984 0.008 . 1 . . . . . . . . 5167 1 142 . 1 1 15 15 DA H2'' H 1 2.894 0.006 . 2 . . . . . . . . 5167 1 143 . 1 1 15 15 DA H2' H 1 2.894 0.006 . 2 . . . . . . . . 5167 1 144 . 1 1 16 16 DG H1 H 1 12.598 0.002 . 1 . . . . . . . . 5167 1 145 . 1 1 16 16 DG H1' H 1 5.521 0.004 . 1 . . . . . . . . 5167 1 146 . 1 1 16 16 DG H2'' H 1 2.577 0.007 . 1 . . . . . . . . 5167 1 147 . 1 1 16 16 DG H2' H 1 2.571 0.005 . 1 . . . . . . . . 5167 1 148 . 1 1 16 16 DG H3' H 1 4.905 0.004 . 1 . . . . . . . . 5167 1 149 . 1 1 16 16 DG H4' H 1 4.425 0.002 . 1 . . . . . . . . 5167 1 150 . 1 1 16 16 DG H5'' H 1 4.307 0.005 . 1 . . . . . . . . 5167 1 151 . 1 1 16 16 DG H5' H 1 4.140 0.005 . 1 . . . . . . . . 5167 1 152 . 1 1 16 16 DG H8 H 1 8.020 0.004 . 1 . . . . . . . . 5167 1 153 . 1 1 17 17 DT H1' H 1 6.154 0.003 . 1 . . . . . . . . 5167 1 154 . 1 1 17 17 DT H2'' H 1 2.576 0.003 . 1 . . . . . . . . 5167 1 155 . 1 1 17 17 DT H2' H 1 2.208 0.004 . 1 . . . . . . . . 5167 1 156 . 1 1 17 17 DT H3 H 1 13.871 0.001 . 1 . . . . . . . . 5167 1 157 . 1 1 17 17 DT H3' H 1 4.909 0.006 . 1 . . . . . . . . 5167 1 158 . 1 1 17 17 DT H4' H 1 4.324 0.004 . 1 . . . . . . . . 5167 1 159 . 1 1 17 17 DT H6 H 1 7.380 0.003 . 1 . . . . . . . . 5167 1 160 . 1 1 17 17 DT H71 H 1 1.295 0.003 . 1 . . . . . . . . 5167 1 161 . 1 1 17 17 DT H72 H 1 1.295 0.003 . 1 . . . . . . . . 5167 1 162 . 1 1 17 17 DT H73 H 1 1.295 0.003 . 1 . . . . . . . . 5167 1 163 . 1 1 18 18 DT H1' H 1 5.740 0.004 . 1 . . . . . . . . 5167 1 164 . 1 1 18 18 DT H2'' H 1 2.516 0.004 . 1 . . . . . . . . 5167 1 165 . 1 1 18 18 DT H2' H 1 2.201 0.005 . 1 . . . . . . . . 5167 1 166 . 1 1 18 18 DT H3 H 1 13.638 0.005 . 1 . . . . . . . . 5167 1 167 . 1 1 18 18 DT H3' H 1 4.908 0.004 . 1 . . . . . . . . 5167 1 168 . 1 1 18 18 DT H4' H 1 4.177 0.001 . 1 . . . . . . . . 5167 1 169 . 1 1 18 18 DT H6 H 1 7.438 0.004 . 1 . . . . . . . . 5167 1 170 . 1 1 18 18 DT H71 H 1 1.643 0.003 . 1 . . . . . . . . 5167 1 171 . 1 1 18 18 DT H72 H 1 1.643 0.003 . 1 . . . . . . . . 5167 1 172 . 1 1 18 18 DT H73 H 1 1.643 0.003 . 1 . . . . . . . . 5167 1 173 . 1 1 19 19 DA H1' H 1 6.185 0.002 . 1 . . . . . . . . 5167 1 174 . 1 1 19 19 DA H2 H 1 7.010 0.003 . 1 . . . . . . . . 5167 1 175 . 1 1 19 19 DA H2'' H 1 2.906 0.002 . 1 . . . . . . . . 5167 1 176 . 1 1 19 19 DA H2' H 1 2.632 0.003 . 1 . . . . . . . . 5167 1 177 . 1 1 19 19 DA H3' H 1 5.017 0.006 . 1 . . . . . . . . 5167 1 178 . 1 1 19 19 DA H4' H 1 4.432 0.005 . 1 . . . . . . . . 5167 1 179 . 1 1 19 19 DA H61 H 1 7.494 0.005 . 1 . . . . . . . . 5167 1 180 . 1 1 19 19 DA H62 H 1 6.368 0.005 . 1 . . . . . . . . 5167 1 181 . 1 1 19 19 DA H8 H 1 8.342 0.002 . 1 . . . . . . . . 5167 1 182 . 1 1 20 20 DT H1' H 1 5.547 0.006 . 1 . . . . . . . . 5167 1 183 . 1 1 20 20 DT H2'' H 1 2.451 0.004 . 1 . . . . . . . . 5167 1 184 . 1 1 20 20 DT H2' H 1 2.060 0.005 . 1 . . . . . . . . 5167 1 185 . 1 1 20 20 DT H3 H 1 13.136 0.005 . 1 . . . . . . . . 5167 1 186 . 1 1 20 20 DT H3' H 1 4.865 0.003 . 1 . . . . . . . . 5167 1 187 . 1 1 20 20 DT H4' H 1 4.176 0.005 . 1 . . . . . . . . 5167 1 188 . 1 1 20 20 DT H6 H 1 7.156 0.004 . 1 . . . . . . . . 5167 1 189 . 1 1 20 20 DT H71 H 1 1.401 0.002 . 1 . . . . . . . . 5167 1 190 . 1 1 20 20 DT H72 H 1 1.401 0.002 . 1 . . . . . . . . 5167 1 191 . 1 1 20 20 DT H73 H 1 1.401 0.002 . 1 . . . . . . . . 5167 1 192 . 1 1 21 21 DA H1' H 1 5.983 0.003 . 1 . . . . . . . . 5167 1 193 . 1 1 21 21 DA H2 H 1 6.373 0.005 . 1 . . . . . . . . 5167 1 194 . 1 1 21 21 DA H2'' H 1 2.947 0.003 . 1 . . . . . . . . 5167 1 195 . 1 1 21 21 DA H2' H 1 2.658 0.003 . 1 . . . . . . . . 5167 1 196 . 1 1 21 21 DA H3' H 1 5.046 0.006 . 1 . . . . . . . . 5167 1 197 . 1 1 21 21 DA H4' H 1 4.425 0.003 . 1 . . . . . . . . 5167 1 198 . 1 1 21 21 DA H8 H 1 8.171 0.003 . 1 . . . . . . . . 5167 1 199 . 1 1 22 22 DA H1' H 1 6.142 0.005 . 1 . . . . . . . . 5167 1 200 . 1 1 22 22 DA H2 H 1 7.453 0.005 . 1 . . . . . . . . 5167 1 201 . 1 1 22 22 DA H2'' H 1 2.943 0.006 . 1 . . . . . . . . 5167 1 202 . 1 1 22 22 DA H2' H 1 2.562 0.008 . 1 . . . . . . . . 5167 1 203 . 1 1 22 22 DA H3' H 1 5.026 0.007 . 1 . . . . . . . . 5167 1 204 . 1 1 22 22 DA H4' H 1 4.494 0.003 . 1 . . . . . . . . 5167 1 205 . 1 1 22 22 DA H61 H 1 7.106 0.005 . 1 . . . . . . . . 5167 1 206 . 1 1 22 22 DA H62 H 1 6.112 0.005 . 1 . . . . . . . . 5167 1 207 . 1 1 22 22 DA H8 H 1 8.123 0.002 . 1 . . . . . . . . 5167 1 208 . 1 1 23 23 DT H1' H 1 5.918 0.005 . 1 . . . . . . . . 5167 1 209 . 1 1 23 23 DT H2'' H 1 2.533 0.002 . 1 . . . . . . . . 5167 1 210 . 1 1 23 23 DT H2' H 1 1.989 0.004 . 1 . . . . . . . . 5167 1 211 . 1 1 23 23 DT H3 H 1 13.610 0.005 . 1 . . . . . . . . 5167 1 212 . 1 1 23 23 DT H3' H 1 4.856 0.004 . 1 . . . . . . . . 5167 1 213 . 1 1 23 23 DT H4' H 1 4.204 0.005 . 1 . . . . . . . . 5167 1 214 . 1 1 23 23 DT H6 H 1 7.146 0.005 . 1 . . . . . . . . 5167 1 215 . 1 1 23 23 DT H71 H 1 1.227 0.002 . 1 . . . . . . . . 5167 1 216 . 1 1 23 23 DT H72 H 1 1.227 0.002 . 1 . . . . . . . . 5167 1 217 . 1 1 23 23 DT H73 H 1 1.227 0.002 . 1 . . . . . . . . 5167 1 218 . 1 1 24 24 DT H1' H 1 5.737 0.005 . 1 . . . . . . . . 5167 1 219 . 1 1 24 24 DT H2'' H 1 2.417 0.003 . 1 . . . . . . . . 5167 1 220 . 1 1 24 24 DT H2' H 1 2.079 0.005 . 1 . . . . . . . . 5167 1 221 . 1 1 24 24 DT H3 H 1 13.650 0.005 . 1 . . . . . . . . 5167 1 222 . 1 1 24 24 DT H3' H 1 4.901 0.007 . 1 . . . . . . . . 5167 1 223 . 1 1 24 24 DT H4' H 1 4.192 0.005 . 1 . . . . . . . . 5167 1 224 . 1 1 24 24 DT H6 H 1 7.347 0.004 . 1 . . . . . . . . 5167 1 225 . 1 1 24 24 DT H71 H 1 1.600 0.002 . 1 . . . . . . . . 5167 1 226 . 1 1 24 24 DT H72 H 1 1.600 0.002 . 1 . . . . . . . . 5167 1 227 . 1 1 24 24 DT H73 H 1 1.600 0.002 . 1 . . . . . . . . 5167 1 228 . 1 1 25 25 DA H1' H 1 5.933 0.003 . 1 . . . . . . . . 5167 1 229 . 1 1 25 25 DA H2 H 1 7.369 0.004 . 1 . . . . . . . . 5167 1 230 . 1 1 25 25 DA H2'' H 1 2.847 0.003 . 1 . . . . . . . . 5167 1 231 . 1 1 25 25 DA H2' H 1 2.685 0.006 . 1 . . . . . . . . 5167 1 232 . 1 1 25 25 DA H3' H 1 5.040 0.003 . 1 . . . . . . . . 5167 1 233 . 1 1 25 25 DA H4' H 1 4.411 0.003 . 1 . . . . . . . . 5167 1 234 . 1 1 25 25 DA H61 H 1 7.888 0.005 . 1 . . . . . . . . 5167 1 235 . 1 1 25 25 DA H62 H 1 6.392 0.006 . 1 . . . . . . . . 5167 1 236 . 1 1 25 25 DA H8 H 1 8.212 0.003 . 1 . . . . . . . . 5167 1 237 . 1 1 26 26 DG H1 H 1 12.919 0.002 . 1 . . . . . . . . 5167 1 238 . 1 1 26 26 DG H1' H 1 5.589 0.003 . 1 . . . . . . . . 5167 1 239 . 1 1 26 26 DG H2'' H 1 2.653 0.003 . 1 . . . . . . . . 5167 1 240 . 1 1 26 26 DG H2' H 1 2.529 0.003 . 1 . . . . . . . . 5167 1 241 . 1 1 26 26 DG H3' H 1 4.962 0.005 . 1 . . . . . . . . 5167 1 242 . 1 1 26 26 DG H4' H 1 4.375 0.005 . 1 . . . . . . . . 5167 1 243 . 1 1 26 26 DG H8 H 1 7.679 0.004 . 1 . . . . . . . . 5167 1 244 . 1 1 27 27 DG H1 H 1 12.918 0.005 . 1 . . . . . . . . 5167 1 245 . 1 1 27 27 DG H1' H 1 6.127 0.003 . 1 . . . . . . . . 5167 1 246 . 1 1 27 27 DG H2'' H 1 2.327 0.005 . 1 . . . . . . . . 5167 1 247 . 1 1 27 27 DG H2' H 1 2.423 0.005 . 1 . . . . . . . . 5167 1 248 . 1 1 27 27 DG H3' H 1 4.606 0.002 . 1 . . . . . . . . 5167 1 249 . 1 1 27 27 DG H4' H 1 4.216 0.004 . 1 . . . . . . . . 5167 1 250 . 1 1 27 27 DG H8 H 1 7.705 0.002 . 1 . . . . . . . . 5167 1 251 . 1 1 27 27 DG H5'' H 1 4.106 0.004 . 2 . . . . . . . . 5167 1 252 . 1 1 27 27 DG H5' H 1 4.106 0.004 . 2 . . . . . . . . 5167 1 stop_ save_