################################### # 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_KRAS22RT_chemicalshifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode KRAS22RT_chemicalshifts _Assigned_chem_shift_list.Entry_ID 27053 _Assigned_chem_shift_list.ID 1 _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 $KRAS22RT_293K _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' . . . 27053 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 DA H1' H 1 5.823 0.003 . 1 . . . . 1 A H1' . 27053 1 2 . 1 1 1 1 DA H2' H 1 2.360 0.002 . 2 . . . . 1 A H2' . 27053 1 3 . 1 1 1 1 DA H2'' H 1 2.500 0.005 . 2 . . . . 1 A H2'' . 27053 1 4 . 1 1 1 1 DA H3' H 1 4.717 0.001 . 1 . . . . 1 A H3' . 27053 1 5 . 1 1 1 1 DA H4' H 1 4.033 0.006 . 1 . . . . 1 A H4' . 27053 1 6 . 1 1 1 1 DA H5' H 1 3.550 0.001 . 1 . . . . 1 A H5' . 27053 1 7 . 1 1 1 1 DA H8 H 1 7.792 0.002 . 1 . . . . 1 A H8 . 27053 1 8 . 1 1 2 2 DG H1 H 1 11.598 0.003 . 1 . . . . 2 G H1 . 27053 1 9 . 1 1 2 2 DG H1' H 1 5.924 0.002 . 1 . . . . 2 G H1' . 27053 1 10 . 1 1 2 2 DG H2' H 1 2.637 0.007 . 2 . . . . 2 G H2' . 27053 1 11 . 1 1 2 2 DG H2'' H 1 2.870 0.003 . 2 . . . . 2 G H2'' . 27053 1 12 . 1 1 2 2 DG H3' H 1 4.919 0.006 . 1 . . . . 2 G H3' . 27053 1 13 . 1 1 2 2 DG H4' H 1 4.343 0.005 . 1 . . . . 2 G H4' . 27053 1 14 . 1 1 2 2 DG H5' H 1 4.016 0.005 . 1 . . . . 2 G H5' . 27053 1 15 . 1 1 2 2 DG H8 H 1 7.916 0.004 . 1 . . . . 2 G H8 . 27053 1 16 . 1 1 2 2 DG H21 H 1 9.383 0.000 . 1 . . . . 2 G H21 . 27053 1 17 . 1 1 2 2 DG H22 H 1 6.545 0.000 . 1 . . . . 2 G H22 . 27053 1 18 . 1 1 3 3 DG H1 H 1 11.079 0.005 . 1 . . . . 3 G H1 . 27053 1 19 . 1 1 3 3 DG H1' H 1 5.991 0.002 . 1 . . . . 3 G H1' . 27053 1 20 . 1 1 3 3 DG H2' H 1 2.383 0.001 . 2 . . . . 3 G H2' . 27053 1 21 . 1 1 3 3 DG H2'' H 1 2.757 0.002 . 2 . . . . 3 G H2'' . 27053 1 22 . 1 1 3 3 DG H3' H 1 4.820 0.000 . 1 . . . . 3 G H3' . 27053 1 23 . 1 1 3 3 DG H4' H 1 4.420 0.000 . 1 . . . . 3 G H4' . 27053 1 24 . 1 1 3 3 DG H5' H 1 4.093 0.005 . 2 . . . . 3 G H5' . 27053 1 25 . 1 1 3 3 DG H5'' H 1 4.191 0.006 . 2 . . . . 3 G H5'' . 27053 1 26 . 1 1 3 3 DG H8 H 1 7.479 0.003 . 1 . . . . 3 G H8 . 27053 1 27 . 1 1 3 3 DG H21 H 1 9.399 0.003 . 1 . . . . 3 G H21 . 27053 1 28 . 1 1 3 3 DG H22 H 1 6.547 0.003 . 1 . . . . 3 G H22 . 27053 1 29 . 1 1 4 4 DG H1 H 1 11.142 0.003 . 1 . . . . 4 G H1 . 27053 1 30 . 1 1 4 4 DG H1' H 1 6.185 0.005 . 1 . . . . 4 G H1' . 27053 1 31 . 1 1 4 4 DG H2' H 1 2.588 0.007 . 2 . . . . 4 G H2' . 27053 1 32 . 1 1 4 4 DG H2'' H 1 2.688 0.004 . 2 . . . . 4 G H2'' . 27053 1 33 . 1 1 4 4 DG H3' H 1 5.021 0.004 . 1 . . . . 4 G H3' . 27053 1 34 . 1 1 4 4 DG H4' H 1 4.514 0.004 . 1 . . . . 4 G H4' . 27053 1 35 . 1 1 4 4 DG H5' H 1 4.203 0.008 . 2 . . . . 4 G H5' . 27053 1 36 . 1 1 4 4 DG H5'' H 1 4.269 0.009 . 2 . . . . 4 G H5'' . 27053 1 37 . 1 1 4 4 DG H8 H 1 7.582 0.003 . 1 . . . . 4 G H8 . 27053 1 38 . 1 1 4 4 DG H21 H 1 8.852 0.000 . 1 . . . . 4 G H21 . 27053 1 39 . 1 1 4 4 DG H22 H 1 6.599 0.000 . 1 . . . . 4 G H22 . 27053 1 40 . 1 1 5 5 DC H1' H 1 6.382 0.003 . 1 . . . . 5 C H1' . 27053 1 41 . 1 1 5 5 DC H2' H 1 2.301 0.002 . 2 . . . . 5 C H2' . 27053 1 42 . 1 1 5 5 DC H2'' H 1 2.633 0.004 . 2 . . . . 5 C H2'' . 27053 1 43 . 1 1 5 5 DC H3' H 1 4.982 0.002 . 1 . . . . 5 C H3' . 27053 1 44 . 1 1 5 5 DC H4' H 1 4.523 0.002 . 1 . . . . 5 C H4' . 27053 1 45 . 1 1 5 5 DC H5 H 1 6.084 0.000 . 1 . . . . 5 C H5 . 27053 1 46 . 1 1 5 5 DC H5' H 1 4.172 0.000 . 2 . . . . 5 C H5' . 27053 1 47 . 1 1 5 5 DC H5'' H 1 4.278 0.002 . 2 . . . . 5 C H5'' . 27053 1 48 . 1 1 5 5 DC H6 H 1 7.911 0.002 . 1 . . . . 5 C H6 . 27053 1 49 . 1 1 6 6 DG H1 H 1 11.790 0.003 . 1 . . . . 6 G H1 . 27053 1 50 . 1 1 6 6 DG H1' H 1 6.091 0.003 . 1 . . . . 6 G H1' . 27053 1 51 . 1 1 6 6 DG H2' H 1 2.300 0.002 . 2 . . . . 6 G H2' . 27053 1 52 . 1 1 6 6 DG H2'' H 1 2.848 0.004 . 2 . . . . 6 G H2'' . 27053 1 53 . 1 1 6 6 DG H3' H 1 5.089 0.003 . 1 . . . . 6 G H3' . 27053 1 54 . 1 1 6 6 DG H4' H 1 4.373 0.007 . 1 . . . . 6 G H4' . 27053 1 55 . 1 1 6 6 DG H5' H 1 4.129 0.004 . 2 . . . . 6 G H5' . 27053 1 56 . 1 1 6 6 DG H5'' H 1 4.225 0.003 . 2 . . . . 6 G H5'' . 27053 1 57 . 1 1 6 6 DG H8 H 1 7.958 0.003 . 1 . . . . 6 G H8 . 27053 1 58 . 1 1 6 6 DG H21 H 1 6.325 0.000 . 1 . . . . 6 G H21 . 27053 1 59 . 1 1 6 6 DG H22 H 1 9.405 0.000 . 1 . . . . 6 G H22 . 27053 1 60 . 1 1 7 7 DG H1 H 1 11.212 0.004 . 1 . . . . 7 G H1 . 27053 1 61 . 1 1 7 7 DG H1' H 1 6.175 0.006 . 1 . . . . 7 G H1' . 27053 1 62 . 1 1 7 7 DG H2' H 1 2.598 0.004 . 2 . . . . 7 G H2' . 27053 1 63 . 1 1 7 7 DG H2'' H 1 2.752 0.001 . 2 . . . . 7 G H2'' . 27053 1 64 . 1 1 7 7 DG H3' H 1 5.073 0.002 . 1 . . . . 7 G H3' . 27053 1 65 . 1 1 7 7 DG H4' H 1 4.527 0.004 . 1 . . . . 7 G H4' . 27053 1 66 . 1 1 7 7 DG H5' H 1 4.215 0.000 . 2 . . . . 7 G H5' . 27053 1 67 . 1 1 7 7 DG H5'' H 1 4.340 0.000 . 2 . . . . 7 G H5'' . 27053 1 68 . 1 1 7 7 DG H8 H 1 7.898 0.005 . 1 . . . . 7 G H8 . 27053 1 69 . 1 1 7 7 DG H21 H 1 9.212 0.000 . 1 . . . . 7 G H21 . 27053 1 70 . 1 1 7 7 DG H22 H 1 6.766 0.000 . 1 . . . . 7 G H22 . 27053 1 71 . 1 1 8 8 DT H1' H 1 5.649 0.002 . 1 . . . . 8 T H1' . 27053 1 72 . 1 1 8 8 DT H2' H 1 2.064 0.009 . 2 . . . . 8 T H2' . 27053 1 73 . 1 1 8 8 DT H2'' H 1 2.093 0.010 . 2 . . . . 8 T H2'' . 27053 1 74 . 1 1 8 8 DT H3' H 1 4.522 0.003 . 1 . . . . 8 T H3' . 27053 1 75 . 1 1 8 8 DT H4' H 1 4.312 0.005 . 1 . . . . 8 T H4' . 27053 1 76 . 1 1 8 8 DT H5' H 1 4.228 0.009 . 2 . . . . 8 T H5' . 27053 1 77 . 1 1 8 8 DT H5'' H 1 3.990 0.003 . 2 . . . . 8 T H5'' . 27053 1 78 . 1 1 8 8 DT H6 H 1 7.316 0.004 . 1 . . . . 8 T H6 . 27053 1 79 . 1 1 8 8 DT H71 H 1 1.666 0.001 . 1 . . . . 8 T H71 . 27053 1 80 . 1 1 8 8 DT H72 H 1 1.666 0.001 . 1 . . . . 8 T H72 . 27053 1 81 . 1 1 8 8 DT H73 H 1 1.666 0.001 . 1 . . . . 8 T H73 . 27053 1 82 . 1 1 9 9 DG H1 H 1 11.122 0.005 . 1 . . . . 9 G H1 . 27053 1 83 . 1 1 9 9 DG H1' H 1 6.364 0.002 . 1 . . . . 9 G H1' . 27053 1 84 . 1 1 9 9 DG H2' H 1 2.359 0.000 . 2 . . . . 9 G H2' . 27053 1 85 . 1 1 9 9 DG H2'' H 1 2.963 0.002 . 2 . . . . 9 G H2'' . 27053 1 86 . 1 1 9 9 DG H3' H 1 4.904 0.002 . 1 . . . . 9 G H3' . 27053 1 87 . 1 1 9 9 DG H4' H 1 4.553 0.013 . 1 . . . . 9 G H4' . 27053 1 88 . 1 1 9 9 DG H5' H 1 4.119 0.001 . 2 . . . . 9 G H5' . 27053 1 89 . 1 1 9 9 DG H5'' H 1 4.317 0.004 . 2 . . . . 9 G H5'' . 27053 1 90 . 1 1 9 9 DG H8 H 1 7.565 0.003 . 1 . . . . 9 G H8 . 27053 1 91 . 1 1 9 9 DG H21 H 1 8.616 0.000 . 1 . . . . 9 G H21 . 27053 1 92 . 1 1 9 9 DG H22 H 1 7.389 0.000 . 1 . . . . 9 G H22 . 27053 1 93 . 1 1 10 10 DT H1' H 1 6.453 0.002 . 1 . . . . 10 T H1' . 27053 1 94 . 1 1 10 10 DT H2' H 1 2.427 0.007 . 2 . . . . 10 T H2' . 27053 1 95 . 1 1 10 10 DT H2'' H 1 2.538 0.006 . 2 . . . . 10 T H2'' . 27053 1 96 . 1 1 10 10 DT H3' H 1 5.082 0.004 . 1 . . . . 10 T H3' . 27053 1 97 . 1 1 10 10 DT H4' H 1 4.481 0.004 . 1 . . . . 10 T H4' . 27053 1 98 . 1 1 10 10 DT H5' H 1 4.195 0.001 . 2 . . . . 10 T H5' . 27053 1 99 . 1 1 10 10 DT H5'' H 1 4.345 0.010 . 2 . . . . 10 T H5'' . 27053 1 100 . 1 1 10 10 DT H6 H 1 7.877 0.003 . 1 . . . . 10 T H6 . 27053 1 101 . 1 1 10 10 DT H71 H 1 1.873 0.003 . 1 . . . . 10 T H71 . 27053 1 102 . 1 1 10 10 DT H72 H 1 1.873 0.003 . 1 . . . . 10 T H72 . 27053 1 103 . 1 1 10 10 DT H73 H 1 1.873 0.003 . 1 . . . . 10 T H73 . 27053 1 104 . 1 1 11 11 DG H1 H 1 11.827 0.003 . 1 . . . . 11 G H1 . 27053 1 105 . 1 1 11 11 DG H1' H 1 6.069 0.003 . 1 . . . . 11 G H1' . 27053 1 106 . 1 1 11 11 DG H2' H 1 2.511 0.002 . 2 . . . . 11 G H2' . 27053 1 107 . 1 1 11 11 DG H2'' H 1 2.890 0.005 . 2 . . . . 11 G H2'' . 27053 1 108 . 1 1 11 11 DG H3' H 1 5.019 0.004 . 1 . . . . 11 G H3' . 27053 1 109 . 1 1 11 11 DG H4' H 1 4.375 0.008 . 1 . . . . 11 G H4' . 27053 1 110 . 1 1 11 11 DG H5' H 1 4.234 0.006 . 2 . . . . 11 G H5' . 27053 1 111 . 1 1 11 11 DG H5'' H 1 4.191 0.001 . 2 . . . . 11 G H5'' . 27053 1 112 . 1 1 11 11 DG H8 H 1 8.033 0.003 . 1 . . . . 11 G H8 . 27053 1 113 . 1 1 11 11 DG H21 H 1 9.020 0.000 . 1 . . . . 11 G H21 . 27053 1 114 . 1 1 11 11 DG H22 H 1 6.927 0.000 . 1 . . . . 11 G H22 . 27053 1 115 . 1 1 12 12 DG H1 H 1 11.363 0.003 . 1 . . . . 12 G H1 . 27053 1 116 . 1 1 12 12 DG H1' H 1 5.917 0.006 . 1 . . . . 12 G H1' . 27053 1 117 . 1 1 12 12 DG H2' H 1 2.519 0.007 . 2 . . . . 12 G H2' . 27053 1 118 . 1 1 12 12 DG H2'' H 1 2.875 0.003 . 2 . . . . 12 G H2'' . 27053 1 119 . 1 1 12 12 DG H3' H 1 5.017 0.001 . 1 . . . . 12 G H3' . 27053 1 120 . 1 1 12 12 DG H4' H 1 4.766 0.002 . 1 . . . . 12 G H4' . 27053 1 121 . 1 1 12 12 DG H5' H 1 4.365 0.006 . 2 . . . . 12 G H5' . 27053 1 122 . 1 1 12 12 DG H5'' H 1 4.311 0.002 . 2 . . . . 12 G H5'' . 27053 1 123 . 1 1 12 12 DG H8 H 1 7.845 0.006 . 1 . . . . 12 G H8 . 27053 1 124 . 1 1 12 12 DG H21 H 1 9.206 0.000 . 1 . . . . 12 G H21 . 27053 1 125 . 1 1 12 12 DG H22 H 1 6.333 0.000 . 1 . . . . 12 G H22 . 27053 1 126 . 1 1 13 13 DG H1 H 1 11.106 0.004 . 1 . . . . 13 G H1 . 27053 1 127 . 1 1 13 13 DG H1' H 1 6.216 0.001 . 1 . . . . 13 G H1' . 27053 1 128 . 1 1 13 13 DG H2' H 1 2.336 0.001 . 2 . . . . 13 G H2' . 27053 1 129 . 1 1 13 13 DG H2'' H 1 2.382 0.006 . 2 . . . . 13 G H2'' . 27053 1 130 . 1 1 13 13 DG H3' H 1 4.612 0.003 . 1 . . . . 13 G H3' . 27053 1 131 . 1 1 13 13 DG H4' H 1 3.781 0.003 . 1 . . . . 13 G H4' . 27053 1 132 . 1 1 13 13 DG H5' H 1 3.138 0.002 . 2 . . . . 13 G H5' . 27053 1 133 . 1 1 13 13 DG H5'' H 1 2.862 0.005 . 2 . . . . 13 G H5'' . 27053 1 134 . 1 1 13 13 DG H8 H 1 7.606 0.002 . 1 . . . . 13 G H8 . 27053 1 135 . 1 1 13 13 DG H21 H 1 8.716 0.000 . 1 . . . . 13 G H21 . 27053 1 136 . 1 1 13 13 DG H22 H 1 6.866 0.000 . 1 . . . . 13 G H22 . 27053 1 137 . 1 1 14 14 DA H1' H 1 6.160 0.002 . 1 . . . . 14 A H1' . 27053 1 138 . 1 1 14 14 DA H2' H 1 2.610 0.004 . 2 . . . . 14 A H2' . 27053 1 139 . 1 1 14 14 DA H2'' H 1 2.713 0.009 . 2 . . . . 14 A H2'' . 27053 1 140 . 1 1 14 14 DA H3' H 1 4.795 0.004 . 1 . . . . 14 A H3' . 27053 1 141 . 1 1 14 14 DA H4' H 1 4.262 0.007 . 1 . . . . 14 A H4' . 27053 1 142 . 1 1 14 14 DA H5' H 1 4.032 0.003 . 2 . . . . 14 A H5' . 27053 1 143 . 1 1 14 14 DA H5'' H 1 3.917 0.004 . 2 . . . . 14 A H5'' . 27053 1 144 . 1 1 14 14 DA H8 H 1 8.157 0.001 . 1 . . . . 14 A H8 . 27053 1 145 . 1 1 15 15 DA H1' H 1 6.335 0.002 . 1 . . . . 15 A H1' . 27053 1 146 . 1 1 15 15 DA H2' H 1 2.713 0.003 . 2 . . . . 15 A H2' . 27053 1 147 . 1 1 15 15 DA H2'' H 1 2.869 0.006 . 2 . . . . 15 A H2'' . 27053 1 148 . 1 1 15 15 DA H3' H 1 4.990 0.004 . 1 . . . . 15 A H3' . 27053 1 149 . 1 1 15 15 DA H4' H 1 4.425 0.005 . 1 . . . . 15 A H4' . 27053 1 150 . 1 1 15 15 DA H5' H 1 4.193 0.001 . 2 . . . . 15 A H5' . 27053 1 151 . 1 1 15 15 DA H5'' H 1 4.016 0.004 . 2 . . . . 15 A H5'' . 27053 1 152 . 1 1 15 15 DA H8 H 1 8.352 0.004 . 1 . . . . 15 A H8 . 27053 1 153 . 1 1 16 16 DT H1' H 1 5.945 0.006 . 1 . . . . 16 T H1' . 27053 1 154 . 1 1 16 16 DT H2' H 1 1.544 0.001 . 2 . . . . 16 T H2' . 27053 1 155 . 1 1 16 16 DT H2'' H 1 2.017 0.002 . 2 . . . . 16 T H2'' . 27053 1 156 . 1 1 16 16 DT H3' H 1 4.983 0.007 . 1 . . . . 16 T H3' . 27053 1 157 . 1 1 16 16 DT H4' H 1 4.679 0.000 . 1 . . . . 16 T H4' . 27053 1 158 . 1 1 16 16 DT H5' H 1 4.171 0.006 . 2 . . . . 16 T H5' . 27053 1 159 . 1 1 16 16 DT H5'' H 1 4.012 0.002 . 2 . . . . 16 T H5'' . 27053 1 160 . 1 1 16 16 DT H6 H 1 7.433 0.002 . 1 . . . . 16 T H6 . 27053 1 161 . 1 1 16 16 DT H71 H 1 1.797 0.002 . 1 . . . . 16 T H71 . 27053 1 162 . 1 1 16 16 DT H72 H 1 1.797 0.002 . 1 . . . . 16 T H72 . 27053 1 163 . 1 1 16 16 DT H73 H 1 1.797 0.002 . 1 . . . . 16 T H73 . 27053 1 164 . 1 1 17 17 DA H1' H 1 6.131 0.003 . 1 . . . . 17 A H1' . 27053 1 165 . 1 1 17 17 DA H2' H 1 2.679 0.012 . 1 . . . . 17 A H2' . 27053 1 166 . 1 1 17 17 DA H3' H 1 4.977 0.001 . 1 . . . . 17 A H3' . 27053 1 167 . 1 1 17 17 DA H4' H 1 4.131 0.004 . 1 . . . . 17 A H4' . 27053 1 168 . 1 1 17 17 DA H5' H 1 3.986 0.006 . 2 . . . . 17 A H5' . 27053 1 169 . 1 1 17 17 DA H5'' H 1 3.823 0.004 . 2 . . . . 17 A H5'' . 27053 1 170 . 1 1 17 17 DA H8 H 1 7.936 0.002 . 1 . . . . 17 A H8 . 27053 1 171 . 1 1 18 18 DG H1 H 1 11.349 0.006 . 1 . . . . 18 G H1 . 27053 1 172 . 1 1 18 18 DG H1' H 1 5.985 0.002 . 1 . . . . 18 G H1' . 27053 1 173 . 1 1 18 18 DG H2' H 1 2.613 0.008 . 2 . . . . 18 G H2' . 27053 1 174 . 1 1 18 18 DG H2'' H 1 2.855 0.003 . 2 . . . . 18 G H2'' . 27053 1 175 . 1 1 18 18 DG H3' H 1 4.946 0.004 . 1 . . . . 18 G H3' . 27053 1 176 . 1 1 18 18 DG H4' H 1 4.391 0.008 . 1 . . . . 18 G H4' . 27053 1 177 . 1 1 18 18 DG H5' H 1 4.124 0.002 . 1 . . . . 18 G H5' . 27053 1 178 . 1 1 18 18 DG H8 H 1 8.065 0.002 . 1 . . . . 18 G H8 . 27053 1 179 . 1 1 18 18 DG H21 H 1 8.878 0.000 . 1 . . . . 18 G H21 . 27053 1 180 . 1 1 18 18 DG H22 H 1 5.938 0.000 . 1 . . . . 18 G H22 . 27053 1 181 . 1 1 19 19 DG H1 H 1 11.212 0.004 . 1 . . . . 19 G H1 . 27053 1 182 . 1 1 19 19 DG H1' H 1 5.964 0.005 . 1 . . . . 19 G H1' . 27053 1 183 . 1 1 19 19 DG H2' H 1 2.656 0.003 . 2 . . . . 19 G H2' . 27053 1 184 . 1 1 19 19 DG H2'' H 1 2.873 0.000 . 2 . . . . 19 G H2'' . 27053 1 185 . 1 1 19 19 DG H3' H 1 4.979 0.003 . 1 . . . . 19 G H3' . 27053 1 186 . 1 1 19 19 DG H4' H 1 4.168 0.001 . 1 . . . . 19 G H4' . 27053 1 187 . 1 1 19 19 DG H5' H 1 4.335 0.018 . 2 . . . . 19 G H5' . 27053 1 188 . 1 1 19 19 DG H5'' H 1 4.181 0.003 . 2 . . . . 19 G H5'' . 27053 1 189 . 1 1 19 19 DG H8 H 1 7.835 0.006 . 1 . . . . 19 G H8 . 27053 1 190 . 1 1 19 19 DG H21 H 1 8.891 0.000 . 1 . . . . 19 G H21 . 27053 1 191 . 1 1 19 19 DG H22 H 1 6.540 0.000 . 1 . . . . 19 G H22 . 27053 1 192 . 1 1 20 20 DG H1 H 1 10.684 0.005 . 1 . . . . 20 G H1 . 27053 1 193 . 1 1 20 20 DG H1' H 1 5.906 0.010 . 1 . . . . 20 G H1' . 27053 1 194 . 1 1 20 20 DG H2' H 1 2.381 0.004 . 2 . . . . 20 G H2' . 27053 1 195 . 1 1 20 20 DG H2'' H 1 2.655 0.005 . 2 . . . . 20 G H2'' . 27053 1 196 . 1 1 20 20 DG H3' H 1 4.841 0.002 . 1 . . . . 20 G H3' . 27053 1 197 . 1 1 20 20 DG H4' H 1 4.391 0.004 . 1 . . . . 20 G H4' . 27053 1 198 . 1 1 20 20 DG H5' H 1 4.189 0.003 . 2 . . . . 20 G H5' . 27053 1 199 . 1 1 20 20 DG H5'' H 1 4.026 0.006 . 2 . . . . 20 G H5'' . 27053 1 200 . 1 1 20 20 DG H8 H 1 7.504 0.005 . 1 . . . . 20 G H8 . 27053 1 201 . 1 1 20 20 DG H21 H 1 8.301 0.000 . 1 . . . . 20 G H21 . 27053 1 202 . 1 1 20 20 DG H22 H 1 6.593 0.000 . 1 . . . . 20 G H22 . 27053 1 203 . 1 1 21 21 DA H1' H 1 5.810 0.003 . 1 . . . . 21 A H1' . 27053 1 204 . 1 1 21 21 DA H2' H 1 2.237 0.000 . 2 . . . . 21 A H2' . 27053 1 205 . 1 1 21 21 DA H2'' H 1 2.392 0.005 . 2 . . . . 21 A H2'' . 27053 1 206 . 1 1 21 21 DA H3' H 1 4.716 0.002 . 1 . . . . 21 A H3' . 27053 1 207 . 1 1 21 21 DA H4' H 1 4.192 0.001 . 1 . . . . 21 A H4' . 27053 1 208 . 1 1 21 21 DA H5' H 1 4.029 0.002 . 1 . . . . 21 A H5' . 27053 1 209 . 1 1 21 21 DA H8 H 1 7.675 0.003 . 1 . . . . 21 A H8 . 27053 1 210 . 1 1 22 22 DA H1' H 1 5.908 0.002 . 1 . . . . 22 A H1' . 27053 1 211 . 1 1 22 22 DA H2 H 1 7.361 0.000 . 1 . . . . 22 A H2 . 27053 1 212 . 1 1 22 22 DA H2' H 1 2.188 0.004 . 2 . . . . 22 A H2' . 27053 1 213 . 1 1 22 22 DA H2'' H 1 2.297 0.003 . 2 . . . . 22 A H2'' . 27053 1 214 . 1 1 22 22 DA H3' H 1 4.726 0.009 . 1 . . . . 22 A H3' . 27053 1 215 . 1 1 22 22 DA H4' H 1 4.440 0.007 . 1 . . . . 22 A H4' . 27053 1 216 . 1 1 22 22 DA H5' H 1 3.934 0.003 . 2 . . . . 22 A H5' . 27053 1 217 . 1 1 22 22 DA H5'' H 1 4.025 0.000 . 2 . . . . 22 A H5'' . 27053 1 218 . 1 1 22 22 DA H8 H 1 7.816 0.003 . 1 . . . . 22 A H8 . 27053 1 stop_ save_