################################### # 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 34882 _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-13C HSQC' . . . 34882 1 2 '2D 1H-1H NOESY' . . . 34882 1 3 '2D DQF-COSY' . . . 34882 1 4 '2D 1H-15N HMQC' . . . 34882 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 11.679 0.001 . 1 . . 274 . A 1 DG H1 . 34882 1 2 . 1 . 1 1 1 DG H1' H 1 6.012 0.002 . 1 . . 262 . A 1 DG H1' . 34882 1 3 . 1 . 1 1 1 DG H2' H 1 2.732 0.009 . 1 . . 773 . A 1 DG H2' . 34882 1 4 . 1 . 1 1 1 DG H2'' H 1 3.070 0.004 . 1 . . 769 . A 1 DG H2'' . 34882 1 5 . 1 . 1 1 1 DG H3' H 1 4.905 0.003 . 1 . . 855 . A 1 DG H3' . 34882 1 6 . 1 . 1 1 1 DG H8 H 1 7.370 0.001 . 1 . . 241 . A 1 DG H8 . 34882 1 7 . 1 . 1 1 1 DG C8 C 13 141.726 . . 1 . . 948 . A 1 DG C8 . 34882 1 8 . 1 . 1 2 2 DG H1 H 1 11.526 0.003 . 1 . . 239 . A 2 DG H1 . 34882 1 9 . 1 . 1 2 2 DG H1' H 1 5.738 0.002 . 1 . . 261 . A 2 DG H1' . 34882 1 10 . 1 . 1 2 2 DG H2' H 1 2.414 0.003 . 1 . . 776 . A 2 DG H2' . 34882 1 11 . 1 . 1 2 2 DG H2'' H 1 2.757 0.002 . 1 . . 777 . A 2 DG H2'' . 34882 1 12 . 1 . 1 2 2 DG H3' H 1 5.075 0.001 . 1 . . 812 . A 2 DG H3' . 34882 1 13 . 1 . 1 2 2 DG H8 H 1 7.823 0.002 . 1 . . 257 . A 2 DG H8 . 34882 1 14 . 1 . 1 2 2 DG C8 C 13 138.695 . . 1 . . 935 . A 2 DG C8 . 34882 1 15 . 1 . 1 3 3 DG H1 H 1 10.300 0.003 . 1 . . 238 . A 3 DG H1 . 34882 1 16 . 1 . 1 3 3 DG H1' H 1 5.945 0.002 . 1 . . 260 . A 3 DG H1' . 34882 1 17 . 1 . 1 3 3 DG H2' H 1 2.853 0.005 . 1 . . 775 . A 3 DG H2' . 34882 1 18 . 1 . 1 3 3 DG H2'' H 1 2.841 0.004 . 1 . . 774 . A 3 DG H2'' . 34882 1 19 . 1 . 1 3 3 DG H3' H 1 5.186 0.001 . 1 . . 854 . A 3 DG H3' . 34882 1 20 . 1 . 1 3 3 DG H8 H 1 7.940 0.003 . 1 . . 256 . A 3 DG H8 . 34882 1 21 . 1 . 1 3 3 DG C8 C 13 138.235 . . 1 . . 927 . A 3 DG C8 . 34882 1 22 . 1 . 1 4 4 DC H1' H 1 5.214 0.003 . 1 . . 146 . A 4 DC H1' . 34882 1 23 . 1 . 1 4 4 DC H2' H 1 2.259 0.004 . 1 . . 147 . A 4 DC H2' . 34882 1 24 . 1 . 1 4 4 DC H2'' H 1 2.317 0.003 . 1 . . 148 . A 4 DC H2'' . 34882 1 25 . 1 . 1 4 4 DC H3' H 1 4.827 0.003 . 1 . . 856 . A 4 DC H3' . 34882 1 26 . 1 . 1 4 4 DC H5 H 1 5.453 0.002 . 1 . . 139 . A 4 DC H5 . 34882 1 27 . 1 . 1 4 4 DC H6 H 1 7.505 0.002 . 1 . . 145 . A 4 DC H6 . 34882 1 28 . 1 . 1 4 4 DC H41 H 1 7.579 0.004 . 1 . . 141 . A 4 DC H41 . 34882 1 29 . 1 . 1 4 4 DC H42 H 1 6.282 0.003 . 1 . . 140 . A 4 DC H42 . 34882 1 30 . 1 . 1 4 4 DC C6 C 13 143.295 . . 1 . . 951 . A 4 DC C6 . 34882 1 31 . 1 . 1 5 5 DG H1 H 1 12.447 0.002 . 1 . . 135 . A 5 DG H1 . 34882 1 32 . 1 . 1 5 5 DG H1' H 1 5.796 0.001 . 1 . . 150 . A 5 DG H1' . 34882 1 33 . 1 . 1 5 5 DG H2' H 1 2.552 0.004 . 1 . . 151 . A 5 DG H2' . 34882 1 34 . 1 . 1 5 5 DG H2'' H 1 2.638 0.003 . 1 . . 152 . A 5 DG H2'' . 34882 1 35 . 1 . 1 5 5 DG H3' H 1 4.967 0.001 . 1 . . 857 . A 5 DG H3' . 34882 1 36 . 1 . 1 5 5 DG H8 H 1 7.764 0.003 . 1 . . 149 . A 5 DG H8 . 34882 1 37 . 1 . 1 5 5 DG C8 C 13 137.924 . . 1 . . 936 . A 5 DG C8 . 34882 1 38 . 1 . 1 6 6 DC H1' H 1 5.462 0.002 . 1 . . 154 . A 6 DC H1' . 34882 1 39 . 1 . 1 6 6 DC H2' H 1 1.783 0.003 . 1 . . 153 . A 6 DC H2' . 34882 1 40 . 1 . 1 6 6 DC H2'' H 1 2.196 0.006 . 1 . . 155 . A 6 DC H2'' . 34882 1 41 . 1 . 1 6 6 DC H3' H 1 4.744 0.003 . 1 . . 858 . A 6 DC H3' . 34882 1 42 . 1 . 1 6 6 DC H5 H 1 5.250 0.003 . 1 . . 126 . A 6 DC H5 . 34882 1 43 . 1 . 1 6 6 DC H6 H 1 7.145 0.002 . 1 . . 142 . A 6 DC H6 . 34882 1 44 . 1 . 1 6 6 DC H41 H 1 8.147 0.002 . 1 . . 125 . A 6 DC H41 . 34882 1 45 . 1 . 1 6 6 DC H42 H 1 6.226 0.002 . 1 . . 807 . A 6 DC H42 . 34882 1 46 . 1 . 1 6 6 DC C6 C 13 142.212 . . 1 . . 943 . A 6 DC C6 . 34882 1 47 . 1 . 1 7 7 DG H1 H 1 12.637 0.003 . 1 . . 122 . A 7 DG H1 . 34882 1 48 . 1 . 1 7 7 DG H1' H 1 5.310 0.003 . 1 . . 157 . A 7 DG H1' . 34882 1 49 . 1 . 1 7 7 DG H2' H 1 2.555 0.007 . 1 . . 158 . A 7 DG H2' . 34882 1 50 . 1 . 1 7 7 DG H2'' H 1 2.632 0.003 . 1 . . 159 . A 7 DG H2'' . 34882 1 51 . 1 . 1 7 7 DG H3' H 1 4.894 0.003 . 1 . . 859 . A 7 DG H3' . 34882 1 52 . 1 . 1 7 7 DG H8 H 1 7.769 0.002 . 1 . . 156 . A 7 DG H8 . 34882 1 53 . 1 . 1 7 7 DG C8 C 13 138.181 . . 1 . . 937 . A 7 DG C8 . 34882 1 54 . 1 . 1 8 8 DA H1' H 1 5.817 0.004 . 1 . . 168 . A 8 DA H1' . 34882 1 55 . 1 . 1 8 8 DA H2 H 1 7.490 0.003 . 1 . . 118 . A 8 DA H2 . 34882 1 56 . 1 . 1 8 8 DA H2' H 1 2.232 0.002 . 1 . . 789 . A 8 DA H2' . 34882 1 57 . 1 . 1 8 8 DA H2'' H 1 2.552 0.005 . 1 . . 790 . A 8 DA H2'' . 34882 1 58 . 1 . 1 8 8 DA H3' H 1 4.898 0.001 . 1 . . 860 . A 8 DA H3' . 34882 1 59 . 1 . 1 8 8 DA H8 H 1 7.837 0.002 . 1 . . 160 . A 8 DA H8 . 34882 1 60 . 1 . 1 8 8 DA C2 C 13 154.423 . . 1 . . 850 . A 8 DA C2 . 34882 1 61 . 1 . 1 8 8 DA C8 C 13 140.943 . . 1 . . 930 . A 8 DA C8 . 34882 1 62 . 1 . 1 9 9 DA H1' H 1 5.821 0.002 . 1 . . 166 . A 9 DA H1' . 34882 1 63 . 1 . 1 9 9 DA H2 H 1 7.632 0.002 . 1 . . 120 . A 9 DA H2 . 34882 1 64 . 1 . 1 9 9 DA H2' H 1 2.003 0.003 . 1 . . 787 . A 9 DA H2' . 34882 1 65 . 1 . 1 9 9 DA H2'' H 1 2.369 0.002 . 1 . . 788 . A 9 DA H2'' . 34882 1 66 . 1 . 1 9 9 DA H3' H 1 4.823 0.001 . 1 . . 861 . A 9 DA H3' . 34882 1 67 . 1 . 1 9 9 DA H8 H 1 7.398 0.001 . 1 . . 167 . A 9 DA H8 . 34882 1 68 . 1 . 1 9 9 DA C2 C 13 154.956 . . 1 . . 653 . A 9 DA C2 . 34882 1 69 . 1 . 1 9 9 DA C8 C 13 139.854 . . 1 . . 931 . A 9 DA C8 . 34882 1 70 . 1 . 1 10 10 DG H1' H 1 5.331 0.002 . 1 . . 163 . A 10 DG H1' . 34882 1 71 . 1 . 1 10 10 DG H2' H 1 2.587 0.005 . 1 . . 786 . A 10 DG H2' . 34882 1 72 . 1 . 1 10 10 DG H2'' H 1 2.296 0.002 . 1 . . 785 . A 10 DG H2'' . 34882 1 73 . 1 . 1 10 10 DG H3' H 1 4.754 0.004 . 1 . . 864 . A 10 DG H3' . 34882 1 74 . 1 . 1 10 10 DG H8 H 1 8.003 0.002 . 1 . . 165 . A 10 DG H8 . 34882 1 75 . 1 . 1 10 10 DG C8 C 13 138.946 . . 1 . . 926 . A 10 DG C8 . 34882 1 76 . 1 . 1 11 11 DC H1' H 1 5.655 0.003 . 1 . . 164 . A 11 DC H1' . 34882 1 77 . 1 . 1 11 11 DC H2' H 1 1.547 0.005 . 1 . . 755 . A 11 DC H2' . 34882 1 78 . 1 . 1 11 11 DC H2'' H 1 1.994 0.0 . 1 . . 756 . A 11 DC H2'' . 34882 1 79 . 1 . 1 11 11 DC H3' H 1 4.372 0.002 . 1 . . 865 . A 11 DC H3' . 34882 1 80 . 1 . 1 11 11 DC H5 H 1 5.166 0.003 . 1 . . 162 . A 11 DC H5 . 34882 1 81 . 1 . 1 11 11 DC H6 H 1 7.150 0.002 . 1 . . 161 . A 11 DC H6 . 34882 1 82 . 1 . 1 11 11 DC C6 C 13 143.471 . . 1 . . 942 . A 11 DC C6 . 34882 1 83 . 1 . 1 12 12 DA H1' H 1 6.259 0.003 . 1 . . 116 . A 12 DA H1' . 34882 1 84 . 1 . 1 12 12 DA H2 H 1 7.982 0.002 . 1 . . 791 . A 12 DA H2 . 34882 1 85 . 1 . 1 12 12 DA H2' H 1 2.963 0.002 . 1 . . 758 . A 12 DA H2' . 34882 1 86 . 1 . 1 12 12 DA H2'' H 1 2.892 0.0 . 1 . . 757 . A 12 DA H2'' . 34882 1 87 . 1 . 1 12 12 DA H3' H 1 4.788 0.002 . 1 . . 809 . A 12 DA H3' . 34882 1 88 . 1 . 1 12 12 DA H8 H 1 8.030 0.002 . 1 . . 115 . A 12 DA H8 . 34882 1 89 . 1 . 1 12 12 DA C2 C 13 155.417 . . 1 . . 851 . A 12 DA C2 . 34882 1 90 . 1 . 1 12 12 DA C8 C 13 143.105 . . 1 . . 925 . A 12 DA C8 . 34882 1 91 . 1 . 1 13 13 DT H1' H 1 5.620 0.004 . 1 . . 171 . A 13 DT H1' . 34882 1 92 . 1 . 1 13 13 DT H2' H 1 2.054 0.004 . 1 . . 759 . A 13 DT H2' . 34882 1 93 . 1 . 1 13 13 DT H2'' H 1 2.429 0.003 . 1 . . 760 . A 13 DT H2'' . 34882 1 94 . 1 . 1 13 13 DT H3 H 1 13.251 0.002 . 1 . . 121 . A 13 DT H3 . 34882 1 95 . 1 . 1 13 13 DT H3' H 1 4.699 0.002 . 1 . . 866 . A 13 DT H3' . 34882 1 96 . 1 . 1 13 13 DT H6 H 1 7.350 0.002 . 1 . . 117 . A 13 DT H6 . 34882 1 97 . 1 . 1 13 13 DT H71 H 1 1.780 0.001 . 1 . . 172 . A 13 DT H71 . 34882 1 98 . 1 . 1 13 13 DT H72 H 1 1.780 0.001 . 1 . . 172 . A 13 DT H72 . 34882 1 99 . 1 . 1 13 13 DT H73 H 1 1.780 0.001 . 1 . . 172 . A 13 DT H73 . 34882 1 100 . 1 . 1 13 13 DT C6 C 13 139.327 . . 1 . . 953 . A 13 DT C6 . 34882 1 101 . 1 . 1 14 14 DT H1' H 1 5.961 0.002 . 1 . . 174 . A 14 DT H1' . 34882 1 102 . 1 . 1 14 14 DT H2' H 1 2.091 0.004 . 1 . . 177 . A 14 DT H2' . 34882 1 103 . 1 . 1 14 14 DT H2'' H 1 2.375 0.002 . 1 . . 178 . A 14 DT H2'' . 34882 1 104 . 1 . 1 14 14 DT H3 H 1 13.799 0.005 . 1 . . 119 . A 14 DT H3 . 34882 1 105 . 1 . 1 14 14 DT H3' H 1 4.785 0.003 . 1 . . 867 . A 14 DT H3' . 34882 1 106 . 1 . 1 14 14 DT H6 H 1 7.337 0.002 . 1 . . 173 . A 14 DT H6 . 34882 1 107 . 1 . 1 14 14 DT H71 H 1 1.548 0.004 . 1 . . 175 . A 14 DT H71 . 34882 1 108 . 1 . 1 14 14 DT H72 H 1 1.548 0.004 . 1 . . 175 . A 14 DT H72 . 34882 1 109 . 1 . 1 14 14 DT H73 H 1 1.548 0.004 . 1 . . 175 . A 14 DT H73 . 34882 1 110 . 1 . 1 14 14 DT C6 C 13 139.804 . . 1 . . 954 . A 14 DT C6 . 34882 1 111 . 1 . 1 15 15 DC H1' H 1 5.449 0.004 . 1 . . 176 . A 15 DC H1' . 34882 1 112 . 1 . 1 15 15 DC H2' H 1 1.872 0.003 . 1 . . 761 . A 15 DC H2' . 34882 1 113 . 1 . 1 15 15 DC H2'' H 1 2.162 0.004 . 1 . . 762 . A 15 DC H2'' . 34882 1 114 . 1 . 1 15 15 DC H3' H 1 4.678 0.002 . 1 . . 185 . A 15 DC H3' . 34882 1 115 . 1 . 1 15 15 DC H5 H 1 5.524 0.002 . 1 . . 124 . A 15 DC H5 . 34882 1 116 . 1 . 1 15 15 DC H6 H 1 7.329 0.003 . 1 . . 143 . A 15 DC H6 . 34882 1 117 . 1 . 1 15 15 DC H41 H 1 8.408 0.002 . 1 . . 123 . A 15 DC H41 . 34882 1 118 . 1 . 1 15 15 DC H42 H 1 6.769 0.003 . 1 . . 179 . A 15 DC H42 . 34882 1 119 . 1 . 1 15 15 DC C6 C 13 143.448 . . 1 . . 950 . A 15 DC C6 . 34882 1 120 . 1 . 1 16 16 DG H1 H 1 12.651 0.002 . 1 . . 134 . A 16 DG H1 . 34882 1 121 . 1 . 1 16 16 DG H1' H 1 5.456 0.002 . 1 . . 198 . A 16 DG H1' . 34882 1 122 . 1 . 1 16 16 DG H2' H 1 2.262 0.003 . 1 . . 196 . A 16 DG H2' . 34882 1 123 . 1 . 1 16 16 DG H2'' H 1 2.263 0.003 . 1 . . 197 . A 16 DG H2'' . 34882 1 124 . 1 . 1 16 16 DG H3' H 1 4.681 0.001 . 1 . . 868 . A 16 DG H3' . 34882 1 125 . 1 . 1 16 16 DG H8 H 1 7.564 0.002 . 1 . . 180 . A 16 DG H8 . 34882 1 126 . 1 . 1 16 16 DG C8 C 13 137.927 . . 1 . . 955 . A 16 DG C8 . 34882 1 127 . 1 . 1 17 17 DC H1' H 1 5.455 0.004 . 1 . . 192 . A 17 DC H1' . 34882 1 128 . 1 . 1 17 17 DC H2' H 1 1.147 0.004 . 1 . . 194 . A 17 DC H2' . 34882 1 129 . 1 . 1 17 17 DC H2'' H 1 1.892 0.002 . 1 . . 195 . A 17 DC H2'' . 34882 1 130 . 1 . 1 17 17 DC H3' H 1 4.435 0.002 . 1 . . 200 . A 17 DC H3' . 34882 1 131 . 1 . 1 17 17 DC H5 H 1 4.791 0.002 . 1 . . 199 . A 17 DC H5 . 34882 1 132 . 1 . 1 17 17 DC H6 H 1 6.644 0.003 . 1 . . 189 . A 17 DC H6 . 34882 1 133 . 1 . 1 17 17 DC H41 H 1 7.690 0.003 . 1 . . 137 . A 17 DC H41 . 34882 1 134 . 1 . 1 17 17 DC H42 H 1 5.934 0.003 . 1 . . 138 . A 17 DC H42 . 34882 1 135 . 1 . 1 17 17 DC C6 C 13 141.854 . . 1 . . 945 . A 17 DC C6 . 34882 1 136 . 1 . 1 18 18 DG H1 H 1 11.454 0.002 . 1 . . 136 . A 18 DG H1 . 34882 1 137 . 1 . 1 18 18 DG H1' H 1 5.582 0.003 . 1 . . 191 . A 18 DG H1' . 34882 1 138 . 1 . 1 18 18 DG H2' H 1 2.730 0.005 . 1 . . 764 . A 18 DG H2' . 34882 1 139 . 1 . 1 18 18 DG H2'' H 1 2.963 0.003 . 1 . . 765 . A 18 DG H2'' . 34882 1 140 . 1 . 1 18 18 DG H3' H 1 5.095 0.001 . 1 . . 869 . A 18 DG H3' . 34882 1 141 . 1 . 1 18 18 DG H8 H 1 7.430 0.001 . 1 . . 190 . A 18 DG H8 . 34882 1 142 . 1 . 1 18 18 DG C8 C 13 138.023 . . 1 . . 941 . A 18 DG C8 . 34882 1 143 . 1 . 1 19 19 DG H1 H 1 10.976 0.004 . 1 . . 250 . A 19 DG H1 . 34882 1 144 . 1 . 1 19 19 DG H1' H 1 5.867 0.003 . 1 . . 223 . A 19 DG H1' . 34882 1 145 . 1 . 1 19 19 DG H2' H 1 3.473 0.003 . 1 . . 229 . A 19 DG H2' . 34882 1 146 . 1 . 1 19 19 DG H2'' H 1 2.977 0.002 . 1 . . 228 . A 19 DG H2'' . 34882 1 147 . 1 . 1 19 19 DG H3' H 1 4.901 0.001 . 1 . . 872 . A 19 DG H3' . 34882 1 148 . 1 . 1 19 19 DG H8 H 1 6.539 0.002 . 1 . . 222 . A 19 DG H8 . 34882 1 149 . 1 . 1 19 19 DG C8 C 13 141.872 . . 1 . . 944 . A 19 DG C8 . 34882 1 150 . 1 . 1 20 20 DG H1 H 1 10.757 0.003 . 1 . . 244 . A 20 DG H1 . 34882 1 151 . 1 . 1 20 20 DG H1' H 1 5.519 0.003 . 1 . . 224 . A 20 DG H1' . 34882 1 152 . 1 . 1 20 20 DG H2' H 1 2.370 0.004 . 1 . . 227 . A 20 DG H2' . 34882 1 153 . 1 . 1 20 20 DG H2'' H 1 2.250 0.006 . 1 . . 226 . A 20 DG H2'' . 34882 1 154 . 1 . 1 20 20 DG H3' H 1 4.914 0.002 . 1 . . 871 . A 20 DG H3' . 34882 1 155 . 1 . 1 20 20 DG H8 H 1 6.973 0.002 . 1 . . 225 . A 20 DG H8 . 34882 1 156 . 1 . 1 20 20 DG C8 C 13 140.373 . . 1 . . 946 . A 20 DG C8 . 34882 1 157 . 1 . 1 21 21 DG H1 H 1 11.104 0.003 . 1 . . 240 . A 21 DG H1 . 34882 1 158 . 1 . 1 21 21 DG H1' H 1 5.783 0.001 . 1 . . 231 . A 21 DG H1' . 34882 1 159 . 1 . 1 21 21 DG H2' H 1 2.535 0.004 . 1 . . 767 . A 21 DG H2' . 34882 1 160 . 1 . 1 21 21 DG H2'' H 1 2.426 0.004 . 1 . . 766 . A 21 DG H2'' . 34882 1 161 . 1 . 1 21 21 DG H3' H 1 5.065 0.001 . 1 . . 873 . A 21 DG H3' . 34882 1 162 . 1 . 1 21 21 DG H8 H 1 7.621 0.001 . 1 . . 230 . A 21 DG H8 . 34882 1 163 . 1 . 1 21 21 DG C8 C 13 137.795 . . 1 . . 938 . A 21 DG C8 . 34882 1 164 . 1 . 1 22 22 DT H1' H 1 6.253 0.002 . 1 . . 202 . A 22 DT H1' . 34882 1 165 . 1 . 1 22 22 DT H2' H 1 2.237 0.004 . 1 . . 235 . A 22 DT H2' . 34882 1 166 . 1 . 1 22 22 DT H2'' H 1 2.438 0.002 . 1 . . 234 . A 22 DT H2'' . 34882 1 167 . 1 . 1 22 22 DT H3' H 1 4.831 0.002 . 1 . . 811 . A 22 DT H3' . 34882 1 168 . 1 . 1 22 22 DT H6 H 1 7.841 0.001 . 1 . . 201 . A 22 DT H6 . 34882 1 169 . 1 . 1 22 22 DT H71 H 1 1.952 0.003 . 1 . . 203 . A 22 DT H71 . 34882 1 170 . 1 . 1 22 22 DT H72 H 1 1.952 0.003 . 1 . . 203 . A 22 DT H72 . 34882 1 171 . 1 . 1 22 22 DT H73 H 1 1.952 0.003 . 1 . . 203 . A 22 DT H73 . 34882 1 172 . 1 . 1 22 22 DT C6 C 13 139.892 . . 1 . . 932 . A 22 DT C6 . 34882 1 173 . 1 . 1 23 23 DT H1' H 1 5.731 0.002 . 1 . . 206 . A 23 DT H1' . 34882 1 174 . 1 . 1 23 23 DT H2' H 1 1.162 0.003 . 1 . . 207 . A 23 DT H2' . 34882 1 175 . 1 . 1 23 23 DT H2'' H 1 1.840 0.003 . 1 . . 208 . A 23 DT H2'' . 34882 1 176 . 1 . 1 23 23 DT H3' H 1 4.615 0.003 . 1 . . 810 . A 23 DT H3' . 34882 1 177 . 1 . 1 23 23 DT H6 H 1 7.206 0.002 . 1 . . 205 . A 23 DT H6 . 34882 1 178 . 1 . 1 23 23 DT H71 H 1 1.575 0.002 . 1 . . 204 . A 23 DT H71 . 34882 1 179 . 1 . 1 23 23 DT H72 H 1 1.575 0.002 . 1 . . 204 . A 23 DT H72 . 34882 1 180 . 1 . 1 23 23 DT H73 H 1 1.575 0.002 . 1 . . 204 . A 23 DT H73 . 34882 1 181 . 1 . 1 23 23 DT C6 C 13 138.529 . . 1 . . 952 . A 23 DT C6 . 34882 1 182 . 1 . 1 24 24 DA H1' H 1 5.885 0.003 . 1 . . 210 . A 24 DA H1' . 34882 1 183 . 1 . 1 24 24 DA H2 H 1 7.812 0.004 . 1 . . 242 . A 24 DA H2 . 34882 1 184 . 1 . 1 24 24 DA H2' H 1 2.675 0.004 . 1 . . 211 . A 24 DA H2' . 34882 1 185 . 1 . 1 24 24 DA H2'' H 1 2.680 0.005 . 1 . . 768 . A 24 DA H2'' . 34882 1 186 . 1 . 1 24 24 DA H3' H 1 4.921 0.001 . 1 . . 874 . A 24 DA H3' . 34882 1 187 . 1 . 1 24 24 DA H8 H 1 7.891 0.001 . 1 . . 209 . A 24 DA H8 . 34882 1 188 . 1 . 1 24 24 DA C2 C 13 155.890 . . 1 . . 849 . A 24 DA C2 . 34882 1 189 . 1 . 1 24 24 DA C8 C 13 141.202 . . 1 . . 929 . A 24 DA C8 . 34882 1 190 . 1 . 1 25 25 DG H1 H 1 10.939 0.002 . 1 . . 243 . A 25 DG H1 . 34882 1 191 . 1 . 1 25 25 DG H1' H 1 5.990 0.003 . 1 . . 252 . A 25 DG H1' . 34882 1 192 . 1 . 1 25 25 DG H2' H 1 3.300 0.003 . 1 . . 771 . A 25 DG H2' . 34882 1 193 . 1 . 1 25 25 DG H2'' H 1 2.895 0.002 . 1 . . 772 . A 25 DG H2'' . 34882 1 194 . 1 . 1 25 25 DG H3' H 1 4.898 0.005 . 1 . . 875 . A 25 DG H3' . 34882 1 195 . 1 . 1 25 25 DG H8 H 1 7.131 0.001 . 1 . . 253 . A 25 DG H8 . 34882 1 196 . 1 . 1 25 25 DG C8 C 13 141.781 . . 1 . . 947 . A 25 DG C8 . 34882 1 197 . 1 . 1 26 26 DG H1 H 1 11.282 0.002 . 1 . . 275 . A 26 DG H1 . 34882 1 198 . 1 . 1 26 26 DG H1' H 1 5.767 0.005 . 1 . . 249 . A 26 DG H1' . 34882 1 199 . 1 . 1 26 26 DG H2' H 1 2.361 0.001 . 1 . . 792 . A 26 DG H2' . 34882 1 200 . 1 . 1 26 26 DG H2'' H 1 2.757 0.006 . 1 . . 793 . A 26 DG H2'' . 34882 1 201 . 1 . 1 26 26 DG H3' H 1 4.979 0.004 . 1 . . 876 . A 26 DG H3' . 34882 1 202 . 1 . 1 26 26 DG H8 H 1 7.604 0.001 . 1 . . 245 . A 26 DG H8 . 34882 1 203 . 1 . 1 26 26 DG C8 C 13 137.826 . . 1 . . 939 . A 26 DG C8 . 34882 1 204 . 1 . 1 27 27 DG H1 H 1 10.682 0.002 . 1 . . 273 . A 27 DG H1 . 34882 1 205 . 1 . 1 27 27 DG H1' H 1 6.091 0.002 . 1 . . 248 . A 27 DG H1' . 34882 1 206 . 1 . 1 27 27 DG H2' H 1 2.696 0.003 . 1 . . 783 . A 27 DG H2' . 34882 1 207 . 1 . 1 27 27 DG H2'' H 1 2.797 0.002 . 1 . . 784 . A 27 DG H2'' . 34882 1 208 . 1 . 1 27 27 DG H3' H 1 5.086 0.001 . 1 . . 870 . A 27 DG H3' . 34882 1 209 . 1 . 1 27 27 DG H4' H 1 4.111 . . 1 . . 912 . A 27 DG H4' . 34882 1 210 . 1 . 1 27 27 DG H8 H 1 7.562 0.001 . 1 . . 247 . A 27 DG H8 . 34882 1 211 . 1 . 1 27 27 DG C8 C 13 137.918 . . 1 . . 940 . A 27 DG C8 . 34882 1 212 . 1 . 1 28 28 DT H1' H 1 6.408 0.001 . 1 . . 218 . A 28 DT H1' . 34882 1 213 . 1 . 1 28 28 DT H2' H 1 2.438 0.003 . 1 . . 233 . A 28 DT H2' . 34882 1 214 . 1 . 1 28 28 DT H2'' H 1 2.565 0.002 . 1 . . 232 . A 28 DT H2'' . 34882 1 215 . 1 . 1 28 28 DT H3' H 1 4.814 0.0 . 1 . . 813 . A 28 DT H3' . 34882 1 216 . 1 . 1 28 28 DT H4' H 1 4.457 . . 1 . . 909 . A 28 DT H4' . 34882 1 217 . 1 . 1 28 28 DT H6 H 1 7.810 0.003 . 1 . . 215 . A 28 DT H6 . 34882 1 218 . 1 . 1 28 28 DT H71 H 1 1.990 0.004 . 1 . . 214 . A 28 DT H71 . 34882 1 219 . 1 . 1 28 28 DT H72 H 1 1.990 0.004 . 1 . . 214 . A 28 DT H72 . 34882 1 220 . 1 . 1 28 28 DT H73 H 1 1.990 0.004 . 1 . . 214 . A 28 DT H73 . 34882 1 221 . 1 . 1 28 28 DT C6 C 13 140.290 . . 1 . . 934 . A 28 DT C6 . 34882 1 222 . 1 . 1 29 29 DT H1' H 1 6.310 0.002 . 1 . . 219 . A 29 DT H1' . 34882 1 223 . 1 . 1 29 29 DT H2' H 1 2.387 0.002 . 1 . . 236 . A 29 DT H2' . 34882 1 224 . 1 . 1 29 29 DT H2'' H 1 2.549 0.003 . 1 . . 237 . A 29 DT H2'' . 34882 1 225 . 1 . 1 29 29 DT H3' H 1 4.944 0.003 . 1 . . 815 . A 29 DT H3' . 34882 1 226 . 1 . 1 29 29 DT H4' H 1 4.339 0.0 . 1 . . 911 . A 29 DT H4' . 34882 1 227 . 1 . 1 29 29 DT H6 H 1 7.818 0.004 . 1 . . 216 . A 29 DT H6 . 34882 1 228 . 1 . 1 29 29 DT H71 H 1 2.070 0.003 . 1 . . 217 . A 29 DT H71 . 34882 1 229 . 1 . 1 29 29 DT H72 H 1 2.070 0.003 . 1 . . 217 . A 29 DT H72 . 34882 1 230 . 1 . 1 29 29 DT H73 H 1 2.070 0.003 . 1 . . 217 . A 29 DT H73 . 34882 1 231 . 1 . 1 29 29 DT C6 C 13 140.054 . . 1 . . 933 . A 29 DT C6 . 34882 1 232 . 1 . 1 30 30 DA H1' H 1 6.341 0.003 . 1 . . 213 . A 30 DA H1' . 34882 1 233 . 1 . 1 30 30 DA H2 H 1 7.845 0.002 . 1 . . 276 . A 30 DA H2 . 34882 1 234 . 1 . 1 30 30 DA H2' H 1 2.619 0.002 . 1 . . 220 . A 30 DA H2' . 34882 1 235 . 1 . 1 30 30 DA H2'' H 1 2.620 0.006 . 1 . . 221 . A 30 DA H2'' . 34882 1 236 . 1 . 1 30 30 DA H3' H 1 4.948 0.002 . 1 . . 814 . A 30 DA H3' . 34882 1 237 . 1 . 1 30 30 DA H4' H 1 4.405 0.001 . 1 . . 910 . A 30 DA H4' . 34882 1 238 . 1 . 1 30 30 DA H8 H 1 8.245 0.002 . 1 . . 212 . A 30 DA H8 . 34882 1 239 . 1 . 1 30 30 DA C2 C 13 155.178 . . 1 . . 852 . A 30 DA C2 . 34882 1 240 . 1 . 1 30 30 DA C8 C 13 141.370 . . 1 . . 957 . A 30 DA C8 . 34882 1 241 . 1 . 1 31 31 DG H1 H 1 11.780 0.001 . 1 . . 270 . A 31 DG H1 . 34882 1 242 . 1 . 1 31 31 DG H1' H 1 5.991 0.002 . 1 . . 263 . A 31 DG H1' . 34882 1 243 . 1 . 1 31 31 DG H2' H 1 3.228 0.005 . 1 . . 770 . A 31 DG H2' . 34882 1 244 . 1 . 1 31 31 DG H2'' H 1 3.010 0.004 . 1 . . 778 . A 31 DG H2'' . 34882 1 245 . 1 . 1 31 31 DG H3' H 1 4.900 0.002 . 1 . . 879 . A 31 DG H3' . 34882 1 246 . 1 . 1 31 31 DG H8 H 1 7.371 0.002 . 1 . . 265 . A 31 DG H8 . 34882 1 247 . 1 . 1 31 31 DG C8 C 13 142.379 . . 1 . . 949 . A 31 DG C8 . 34882 1 248 . 1 . 1 32 32 DG H1 H 1 11.369 0.001 . 1 . . 255 . A 32 DG H1 . 34882 1 249 . 1 . 1 32 32 DG H1' H 1 5.818 0.002 . 1 . . 267 . A 32 DG H1' . 34882 1 250 . 1 . 1 32 32 DG H2' H 1 2.521 0.002 . 1 . . 780 . A 32 DG H2' . 34882 1 251 . 1 . 1 32 32 DG H2'' H 1 2.766 0.002 . 1 . . 779 . A 32 DG H2'' . 34882 1 252 . 1 . 1 32 32 DG H3' H 1 5.067 0.001 . 1 . . 877 . A 32 DG H3' . 34882 1 253 . 1 . 1 32 32 DG H8 H 1 7.896 0.002 . 1 . . 268 . A 32 DG H8 . 34882 1 254 . 1 . 1 32 32 DG C8 C 13 138.514 . . 1 . . 928 . A 32 DG C8 . 34882 1 255 . 1 . 1 33 33 DG H1 H 1 10.502 0.004 . 1 . . 254 . A 33 DG H1 . 34882 1 256 . 1 . 1 33 33 DG H1' H 1 6.127 0.002 . 1 . . 272 . A 33 DG H1' . 34882 1 257 . 1 . 1 33 33 DG H2' H 1 2.754 0.003 . 1 . . 781 . A 33 DG H2' . 34882 1 258 . 1 . 1 33 33 DG H2'' H 1 2.626 0.002 . 1 . . 782 . A 33 DG H2'' . 34882 1 259 . 1 . 1 33 33 DG H3' H 1 4.823 0.002 . 1 . . 878 . A 33 DG H3' . 34882 1 260 . 1 . 1 33 33 DG H8 H 1 7.787 0.002 . 1 . . 271 . A 33 DG H8 . 34882 1 261 . 1 . 1 33 33 DG C8 C 13 137.901 . . 1 . . 956 . A 33 DG C8 . 34882 1 262 . 2 . 2 1 1 PQ3 HK H 1 7.830 . . 1 . . 958 . A 101 PQ3 H1 . 34882 1 263 . 2 . 2 1 1 PQ3 HK' H 1 7.830 . . 1 . . 971 . A 101 PQ3 H1' . 34882 1 264 . 2 . 2 1 1 PQ3 HD H 1 7.660 . . 1 . . 969 . A 101 PQ3 H10 . 34882 1 265 . 2 . 2 1 1 PQ3 HD' H 1 7.690 . . 1 . . 982 . A 101 PQ3 H10' . 34882 1 266 . 2 . 2 1 1 PQ3 HB H 1 8.820 . . 1 . . 970 . A 101 PQ3 H11 . 34882 1 267 . 2 . 2 1 1 PQ3 HB' H 1 8.950 . . 1 . . 983 . A 101 PQ3 H11' . 34882 1 268 . 2 . 2 1 1 PQ3 HJ H 1 8.260 . . 1 . . 959 . A 101 PQ3 H2 . 34882 1 269 . 2 . 2 1 1 PQ3 HJ' H 1 8.250 . . 1 . . 972 . A 101 PQ3 H2' . 34882 1 270 . 2 . 2 1 1 PQ3 HH H 1 7.610 . . 1 . . 960 . A 101 PQ3 H3 . 34882 1 271 . 2 . 2 1 1 PQ3 HH' H 1 7.630 . . 1 . . 973 . A 101 PQ3 H3' . 34882 1 272 . 2 . 2 1 1 PQ3 HA H 1 11.740 . . 1 . . 961 . A 101 PQ3 H4 . 34882 1 273 . 2 . 2 1 1 PQ3 HA' H 1 12.170 . . 1 . . 974 . A 101 PQ3 H4' . 34882 1 274 . 2 . 2 1 1 PQ3 HC H 1 10.190 . . 1 . . 962 . A 101 PQ3 H5 . 34882 1 275 . 2 . 2 1 1 PQ3 HC' H 1 10.210 . . 1 . . 975 . A 101 PQ3 H5' . 34882 1 276 . 2 . 2 1 1 PQ3 HI1 H 1 4.530 . . 1 . . 963 . A 101 PQ3 H61 . 34882 1 277 . 2 . 2 1 1 PQ3 HI1' H 1 4.700 . . 1 . . 976 . A 101 PQ3 H61' . 34882 1 278 . 2 . 2 1 1 PQ3 HI2 H 1 4.530 . . 1 . . 964 . A 101 PQ3 H62 . 34882 1 279 . 2 . 2 1 1 PQ3 HI2' H 1 4.700 . . 1 . . 977 . A 101 PQ3 H62' . 34882 1 280 . 2 . 2 1 1 PQ3 HI3 H 1 4.530 . . 1 . . 965 . A 101 PQ3 H63 . 34882 1 281 . 2 . 2 1 1 PQ3 HI3' H 1 4.700 . . 1 . . 978 . A 101 PQ3 H63' . 34882 1 282 . 2 . 2 1 1 PQ3 HG H 1 7.960 . . 1 . . 966 . A 101 PQ3 H7 . 34882 1 283 . 2 . 2 1 1 PQ3 HG' H 1 8.110 . . 1 . . 979 . A 101 PQ3 H7' . 34882 1 284 . 2 . 2 1 1 PQ3 HF H 1 7.960 . . 1 . . 967 . A 101 PQ3 H8 . 34882 1 285 . 2 . 2 1 1 PQ3 HF' H 1 7.880 . . 1 . . 980 . A 101 PQ3 H8' . 34882 1 286 . 2 . 2 1 1 PQ3 HE H 1 7.710 . . 1 . . 968 . A 101 PQ3 H9 . 34882 1 287 . 2 . 2 1 1 PQ3 HE' H 1 7.690 . . 1 . . 981 . A 101 PQ3 H9' . 34882 1 stop_ save_