################################### # 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 30473 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.005 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err 0.005 _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method SPARKY _Assigned_chem_shift_list.Details '3 percent were higher than 0.005 at less than or equal to 0.011 ppm' _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 DQF-COSY' . . . 30473 1 2 '2D 1H-1H TOCSY' . . . 30473 1 3 '2D 1H-13C HSQC' . . . 30473 1 4 '2D 1H-1H NOESY' . . . 30473 1 5 '2D 1H-1H NOESY' . . . 30473 1 6 '2D ECOSY' . . . 30473 1 7 '2D PhCOSY' . . . 30473 1 8 '2D PhTOCSY' . . . 30473 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.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 5.673 0.001 . 1 . . . . A 1 DG H1' . 30473 1 2 . 1 1 1 1 DG H2' H 1 2.476 0.000 . . . . . . A 1 DG H2' . 30473 1 3 . 1 1 1 1 DG H2'' H 1 2.635 0.003 . . . . . . A 1 DG H2'' . 30473 1 4 . 1 1 1 1 DG H3' H 1 4.812 0.002 . 1 . . . . A 1 DG H3' . 30473 1 5 . 1 1 1 1 DG H8 H 1 7.857 0.001 . 1 . . . . A 1 DG H8 . 30473 1 6 . 1 1 1 1 DG C1' C 13 85.527 0.000 . 1 . . . . A 1 DG C1' . 30473 1 7 . 1 1 1 1 DG C3' C 13 79.246 0.000 . 1 . . . . A 1 DG C3' . 30473 1 8 . 1 1 1 1 DG C8 C 13 139.091 0.000 . 1 . . . . A 1 DG C8 . 30473 1 9 . 1 1 2 2 DG H1 H 1 13.122 0.000 . 1 . . . . A 2 DG H1 . 30473 1 10 . 1 1 2 2 DG H1' H 1 5.667 0.002 . 1 . . . . A 2 DG H1' . 30473 1 11 . 1 1 2 2 DG H2'' H 1 2.785 0.004 . . . . . . A 2 DG H2'' . 30473 1 12 . 1 1 2 2 DG H3' H 1 5.002 0.002 . 1 . . . . A 2 DG H3' . 30473 1 13 . 1 1 2 2 DG H4' H 1 4.375 0.001 . 1 . . . . A 2 DG H4' . 30473 1 14 . 1 1 2 2 DG H5'' H 1 4.070 0.002 . . . . . . A 2 DG H5'' . 30473 1 15 . 1 1 2 2 DG H8 H 1 7.822 0.001 . 1 . . . . A 2 DG H8 . 30473 1 16 . 1 1 2 2 DG C1' C 13 84.467 0.000 . 1 . . . . A 2 DG C1' . 30473 1 17 . 1 1 2 2 DG C3' C 13 79.180 0.000 . 1 . . . . A 2 DG C3' . 30473 1 18 . 1 1 2 2 DG C8 C 13 138.085 0.000 . 1 . . . . A 2 DG C8 . 30473 1 19 . 1 1 2 2 DG P P 31 -3.849 0.000 . 1 . . . . A 2 DG P . 30473 1 20 . 1 1 3 3 DG H1 H 1 13.130 0.006 . 1 . . . . A 3 DG H1 . 30473 1 21 . 1 1 3 3 DG H1' H 1 5.793 0.002 . 1 . . . . A 3 DG H1' . 30473 1 22 . 1 1 3 3 DG H2' H 1 2.640 0.002 . . . . . . A 3 DG H2' . 30473 1 23 . 1 1 3 3 DG H2'' H 1 2.784 0.002 . . . . . . A 3 DG H2'' . 30473 1 24 . 1 1 3 3 DG H3' H 1 5.018 0.005 . 1 . . . . A 3 DG H3' . 30473 1 25 . 1 1 3 3 DG H4' H 1 4.420 0.001 . 1 . . . . A 3 DG H4' . 30473 1 26 . 1 1 3 3 DG H5' H 1 4.206 0.004 . . . . . . A 3 DG H5' . 30473 1 27 . 1 1 3 3 DG H8 H 1 7.730 0.002 . 1 . . . . A 3 DG H8 . 30473 1 28 . 1 1 3 3 DG C1' C 13 84.364 0.000 . 1 . . . . A 3 DG C1' . 30473 1 29 . 1 1 3 3 DG C3' C 13 79.179 0.000 . 1 . . . . A 3 DG C3' . 30473 1 30 . 1 1 3 3 DG C8 C 13 137.803 0.000 . 1 . . . . A 3 DG C8 . 30473 1 31 . 1 1 4 4 DG H1 H 1 13.007 0.010 . 1 . . . . A 4 DG H1 . 30473 1 32 . 1 1 4 4 DG H1' H 1 5.921 0.004 . 1 . . . . A 4 DG H1' . 30473 1 33 . 1 1 4 4 DG H2' H 1 2.554 0.001 . . . . . . A 4 DG H2' . 30473 1 34 . 1 1 4 4 DG H2'' H 1 2.745 0.005 . . . . . . A 4 DG H2'' . 30473 1 35 . 1 1 4 4 DG H3' H 1 4.995 0.001 . 1 . . . . A 4 DG H3' . 30473 1 36 . 1 1 4 4 DG H4' H 1 4.424 0.003 . 1 . . . . A 4 DG H4' . 30473 1 37 . 1 1 4 4 DG H8 H 1 7.724 0.002 . 1 . . . . A 4 DG H8 . 30473 1 38 . 1 1 4 4 DG C1' C 13 84.629 0.000 . 1 . . . . A 4 DG C1' . 30473 1 39 . 1 1 4 4 DG C3' C 13 79.299 0.000 . 1 . . . . A 4 DG C3' . 30473 1 40 . 1 1 4 4 DG C8 C 13 137.511 0.000 . 1 . . . . A 4 DG C8 . 30473 1 41 . 1 1 4 4 DG P P 31 -4.091 0.000 . 1 . . . . A 4 DG P . 30473 1 42 . 1 1 5 5 DC H1' H 1 5.705 0.002 . 1 . . . . A 5 DC H1' . 30473 1 43 . 1 1 5 5 DC H2' H 1 1.879 0.001 . . . . . . A 5 DC H2' . 30473 1 44 . 1 1 5 5 DC H2'' H 1 2.315 0.002 . . . . . . A 5 DC H2'' . 30473 1 45 . 1 1 5 5 DC H3' H 1 4.846 0.001 . 1 . . . . A 5 DC H3' . 30473 1 46 . 1 1 5 5 DC H4' H 1 4.146 0.002 . 1 . . . . A 5 DC H4' . 30473 1 47 . 1 1 5 5 DC H5 H 1 5.275 0.007 . 1 . . . . A 5 DC H5 . 30473 1 48 . 1 1 5 5 DC H5' H 1 4.218 0.003 . . . . . . A 5 DC H5' . 30473 1 49 . 1 1 5 5 DC H5'' H 1 4.141 0.003 . . . . . . A 5 DC H5'' . 30473 1 50 . 1 1 5 5 DC H6 H 1 7.248 0.002 . 1 . . . . A 5 DC H6 . 30473 1 51 . 1 1 5 5 DC H41 H 1 8.389 0.001 . . . . . . A 5 DC H41 . 30473 1 52 . 1 1 5 5 DC H42 H 1 6.373 0.001 . . . . . . A 5 DC H42 . 30473 1 53 . 1 1 5 5 DC C1' C 13 86.351 0.000 . 1 . . . . A 5 DC C1' . 30473 1 54 . 1 1 5 5 DC C3' C 13 76.984 0.000 . 1 . . . . A 5 DC C3' . 30473 1 55 . 1 1 5 5 DC C5 C 13 98.476 0.000 . 1 . . . . A 5 DC C5 . 30473 1 56 . 1 1 5 5 DC C6 C 13 142.388 0.000 . 1 . . . . A 5 DC C6 . 30473 1 57 . 1 1 6 6 DG H1 H 1 13.170 0.001 . 1 . . . . A 6 DG H1 . 30473 1 58 . 1 1 6 6 DG H1' H 1 5.504 0.001 . 1 . . . . A 6 DG H1' . 30473 1 59 . 1 1 6 6 DG H2' H 1 2.641 0.001 . . . . . . A 6 DG H2' . 30473 1 60 . 1 1 6 6 DG H2'' H 1 2.704 0.002 . . . . . . A 6 DG H2'' . 30473 1 61 . 1 1 6 6 DG H3' H 1 4.969 0.001 . 1 . . . . A 6 DG H3' . 30473 1 62 . 1 1 6 6 DG H4' H 1 4.311 0.001 . 1 . . . . A 6 DG H4' . 30473 1 63 . 1 1 6 6 DG H5' H 1 4.148 0.002 . . . . . . A 6 DG H5' . 30473 1 64 . 1 1 6 6 DG H5'' H 1 4.082 0.005 . . . . . . A 6 DG H5'' . 30473 1 65 . 1 1 6 6 DG H8 H 1 7.834 0.002 . 1 . . . . A 6 DG H8 . 30473 1 66 . 1 1 6 6 DG C1' C 13 84.247 0.000 . 1 . . . . A 6 DG C1' . 30473 1 67 . 1 1 6 6 DG C3' C 13 79.346 0.000 . 1 . . . . A 6 DG C3' . 30473 1 68 . 1 1 6 6 DG C4' C 13 87.259 0.000 . 1 . . . . A 6 DG C4' . 30473 1 69 . 1 1 6 6 DG C8 C 13 138.382 0.000 . 1 . . . . A 6 DG C8 . 30473 1 70 . 1 1 6 6 DG P P 31 -3.885 0.000 . 1 . . . . A 6 DG P . 30473 1 71 . 1 1 7 7 DG H1 H 1 13.170 0.002 . 1 . . . . A 7 DG H1 . 30473 1 72 . 1 1 7 7 DG H1' H 1 5.639 0.003 . 1 . . . . A 7 DG H1' . 30473 1 73 . 1 1 7 7 DG H2' H 1 2.566 0.003 . . . . . . A 7 DG H2' . 30473 1 74 . 1 1 7 7 DG H2'' H 1 2.697 0.001 . . . . . . A 7 DG H2'' . 30473 1 75 . 1 1 7 7 DG H3' H 1 4.983 0.005 . 1 . . . . A 7 DG H3' . 30473 1 76 . 1 1 7 7 DG H4' H 1 4.367 0.003 . 1 . . . . A 7 DG H4' . 30473 1 77 . 1 1 7 7 DG H5' H 1 4.142 0.000 . . . . . . A 7 DG H5' . 30473 1 78 . 1 1 7 7 DG H5'' H 1 4.102 0.006 . . . . . . A 7 DG H5'' . 30473 1 79 . 1 1 7 7 DG H8 H 1 7.711 0.003 . 1 . . . . A 7 DG H8 . 30473 1 80 . 1 1 7 7 DG C1' C 13 84.347 0.000 . 1 . . . . A 7 DG C1' . 30473 1 81 . 1 1 7 7 DG C3' C 13 79.126 0.000 . 1 . . . . A 7 DG C3' . 30473 1 82 . 1 1 7 7 DG C8 C 13 137.892 0.000 . 1 . . . . A 7 DG C8 . 30473 1 83 . 1 1 8 8 DG H1 H 1 13.172 0.000 . 1 . . . . A 8 DG H1 . 30473 1 84 . 1 1 8 8 DG H1' H 1 5.759 0.001 . 1 . . . . A 8 DG H1' . 30473 1 85 . 1 1 8 8 DG H2' H 1 2.567 0.002 . . . . . . A 8 DG H2' . 30473 1 86 . 1 1 8 8 DG H2'' H 1 2.730 0.002 . . . . . . A 8 DG H2'' . 30473 1 87 . 1 1 8 8 DG H3' H 1 4.971 0.004 . 1 . . . . A 8 DG H3' . 30473 1 88 . 1 1 8 8 DG H4' H 1 4.376 0.001 . 1 . . . . A 8 DG H4' . 30473 1 89 . 1 1 8 8 DG H5'' H 1 4.150 0.002 . . . . . . A 8 DG H5'' . 30473 1 90 . 1 1 8 8 DG H8 H 1 7.696 0.003 . 1 . . . . A 8 DG H8 . 30473 1 91 . 1 1 8 8 DG C1' C 13 84.340 0.000 . 1 . . . . A 8 DG C1' . 30473 1 92 . 1 1 8 8 DG C3' C 13 78.841 0.000 . 1 . . . . A 8 DG C3' . 30473 1 93 . 1 1 8 8 DG C8 C 13 137.856 0.000 . 1 . . . . A 8 DG C8 . 30473 1 94 . 1 1 9 9 DG H1' H 1 6.154 0.001 . 1 . . . . A 9 DG H1' . 30473 1 95 . 1 1 9 9 DG H2' H 1 2.359 0.002 . . . . . . A 9 DG H2' . 30473 1 96 . 1 1 9 9 DG H2'' H 1 2.481 0.002 . . . . . . A 9 DG H2'' . 30473 1 97 . 1 1 9 9 DG H3' H 1 4.638 0.001 . 1 . . . . A 9 DG H3' . 30473 1 98 . 1 1 9 9 DG H4' H 1 4.212 0.001 . 1 . . . . A 9 DG H4' . 30473 1 99 . 1 1 9 9 DG H5' H 1 4.232 0.003 . . . . . . A 9 DG H5' . 30473 1 100 . 1 1 9 9 DG H5'' H 1 4.128 0.004 . . . . . . A 9 DG H5'' . 30473 1 101 . 1 1 9 9 DG H8 H 1 7.747 0.003 . 1 . . . . A 9 DG H8 . 30473 1 102 . 1 1 9 9 DG C1' C 13 84.855 0.000 . 1 . . . . A 9 DG C1' . 30473 1 103 . 1 1 9 9 DG C3' C 13 72.786 0.000 . 1 . . . . A 9 DG C3' . 30473 1 104 . 1 1 9 9 DG C4' C 13 87.714 0.000 . 1 . . . . A 9 DG C4' . 30473 1 105 . 1 1 9 9 DG C8 C 13 138.602 0.000 . 1 . . . . A 9 DG C8 . 30473 1 106 . 1 1 9 9 DG P P 31 -3.819 0.000 . 1 . . . . A 9 DG P . 30473 1 107 . 2 2 1 1 DC H1' H 1 6.014 0.003 . 1 . . . . B 10 DC H1' . 30473 1 108 . 2 2 1 1 DC H2' H 1 2.195 0.002 . . . . . . B 10 DC H2' . 30473 1 109 . 2 2 1 1 DC H2'' H 1 2.575 0.003 . . . . . . B 10 DC H2'' . 30473 1 110 . 2 2 1 1 DC H3' H 1 4.694 0.002 . 1 . . . . B 10 DC H3' . 30473 1 111 . 2 2 1 1 DC H4' H 1 4.148 0.002 . 1 . . . . B 10 DC H4' . 30473 1 112 . 2 2 1 1 DC H5 H 1 6.011 0.010 . 1 . . . . B 10 DC H5 . 30473 1 113 . 2 2 1 1 DC H5' H 1 3.830 0.004 . . . . . . B 10 DC H5' . 30473 1 114 . 2 2 1 1 DC H5'' H 1 3.789 0.001 . . . . . . B 10 DC H5'' . 30473 1 115 . 2 2 1 1 DC H6 H 1 7.838 0.002 . 1 . . . . B 10 DC H6 . 30473 1 116 . 2 2 1 1 DC H42 H 1 6.876 0.000 . . . . . . B 10 DC H42 . 30473 1 117 . 2 2 1 1 DC C1' C 13 88.202 0.000 . 1 . . . . B 10 DC C1' . 30473 1 118 . 2 2 1 1 DC C3' C 13 77.277 0.000 . 1 . . . . B 10 DC C3' . 30473 1 119 . 2 2 1 1 DC C5 C 13 99.523 0.000 . 1 . . . . B 10 DC C5 . 30473 1 120 . 2 2 1 1 DC C6 C 13 143.155 0.000 . 1 . . . . B 10 DC C6 . 30473 1 121 . 2 2 2 2 DC H1' H 1 6.032 0.004 . 1 . . . . B 11 DC H1' . 30473 1 122 . 2 2 2 2 DC H2' H 1 2.262 0.002 . . . . . . B 11 DC H2' . 30473 1 123 . 2 2 2 2 DC H2'' H 1 2.503 0.002 . . . . . . B 11 DC H2'' . 30473 1 124 . 2 2 2 2 DC H3' H 1 4.880 0.002 . 1 . . . . B 11 DC H3' . 30473 1 125 . 2 2 2 2 DC H4' H 1 4.234 0.001 . 1 . . . . B 11 DC H4' . 30473 1 126 . 2 2 2 2 DC H5 H 1 5.719 0.010 . 1 . . . . B 11 DC H5 . 30473 1 127 . 2 2 2 2 DC H5' H 1 4.234 0.000 . . . . . . B 11 DC H5' . 30473 1 128 . 2 2 2 2 DC H5'' H 1 4.088 0.003 . . . . . . B 11 DC H5'' . 30473 1 129 . 2 2 2 2 DC H6 H 1 7.676 0.004 . 1 . . . . B 11 DC H6 . 30473 1 130 . 2 2 2 2 DC H41 H 1 8.463 0.001 . . . . . . B 11 DC H41 . 30473 1 131 . 2 2 2 2 DC H42 H 1 6.876 0.000 . . . . . . B 11 DC H42 . 30473 1 132 . 2 2 2 2 DC C1' C 13 87.041 0.000 . 1 . . . . B 11 DC C1' . 30473 1 133 . 2 2 2 2 DC C3' C 13 78.649 0.000 . 1 . . . . B 11 DC C3' . 30473 1 134 . 2 2 2 2 DC C4' C 13 86.315 0.000 . 1 . . . . B 11 DC C4' . 30473 1 135 . 2 2 2 2 DC C5 C 13 98.997 0.000 . 1 . . . . B 11 DC C5 . 30473 1 136 . 2 2 2 2 DC C6 C 13 143.415 0.000 . 1 . . . . B 11 DC C6 . 30473 1 137 . 2 2 2 2 DC P P 31 -4.058 0.000 . 1 . . . . B 11 DC P . 30473 1 138 . 2 2 3 3 DC H1' H 1 6.000 0.002 . 1 . . . . B 12 DC H1' . 30473 1 139 . 2 2 3 3 DC H2' H 1 2.182 0.001 . . . . . . B 12 DC H2' . 30473 1 140 . 2 2 3 3 DC H2'' H 1 2.481 0.001 . . . . . . B 12 DC H2'' . 30473 1 141 . 2 2 3 3 DC H3' H 1 4.870 0.001 . 1 . . . . B 12 DC H3' . 30473 1 142 . 2 2 3 3 DC H4' H 1 4.213 0.001 . 1 . . . . B 12 DC H4' . 30473 1 143 . 2 2 3 3 DC H5 H 1 5.674 0.011 . 1 . . . . B 12 DC H5 . 30473 1 144 . 2 2 3 3 DC H5' H 1 4.215 0.002 . . . . . . B 12 DC H5' . 30473 1 145 . 2 2 3 3 DC H5'' H 1 4.120 0.000 . . . . . . B 12 DC H5'' . 30473 1 146 . 2 2 3 3 DC H6 H 1 7.554 0.003 . 1 . . . . B 12 DC H6 . 30473 1 147 . 2 2 3 3 DC H41 H 1 8.515 0.002 . . . . . . B 12 DC H41 . 30473 1 148 . 2 2 3 3 DC H42 H 1 6.790 0.000 . . . . . . B 12 DC H42 . 30473 1 149 . 2 2 3 3 DC C1' C 13 86.753 0.000 . 1 . . . . B 12 DC C1' . 30473 1 150 . 2 2 3 3 DC C3' C 13 78.392 0.000 . 1 . . . . B 12 DC C3' . 30473 1 151 . 2 2 3 3 DC C5 C 13 99.173 0.000 . 1 . . . . B 12 DC C5 . 30473 1 152 . 2 2 3 3 DC C6 C 13 143.364 0.000 . 1 . . . . B 12 DC C6 . 30473 1 153 . 2 2 3 3 DC P P 31 -3.972 0.000 . 1 . . . . B 12 DC P . 30473 1 154 . 2 2 4 4 DC H1' H 1 5.583 0.001 . 1 . . . . B 13 DC H1' . 30473 1 155 . 2 2 4 4 DC H2' H 1 2.081 0.001 . . . . . . B 13 DC H2' . 30473 1 156 . 2 2 4 4 DC H2'' H 1 2.407 0.001 . . . . . . B 13 DC H2'' . 30473 1 157 . 2 2 4 4 DC H3' H 1 4.857 0.001 . 1 . . . . B 13 DC H3' . 30473 1 158 . 2 2 4 4 DC H4' H 1 4.132 0.001 . 1 . . . . B 13 DC H4' . 30473 1 159 . 2 2 4 4 DC H5 H 1 5.660 0.010 . 1 . . . . B 13 DC H5 . 30473 1 160 . 2 2 4 4 DC H5' H 1 4.127 0.004 . . . . . . B 13 DC H5' . 30473 1 161 . 2 2 4 4 DC H5'' H 1 4.118 0.000 . . . . . . B 13 DC H5'' . 30473 1 162 . 2 2 4 4 DC H6 H 1 7.462 0.002 . 1 . . . . B 13 DC H6 . 30473 1 163 . 2 2 4 4 DC H41 H 1 8.641 0.001 . . . . . . B 13 DC H41 . 30473 1 164 . 2 2 4 4 DC H42 H 1 6.859 0.001 . . . . . . B 13 DC H42 . 30473 1 165 . 2 2 4 4 DC C1' C 13 86.587 0.000 . 1 . . . . B 13 DC C1' . 30473 1 166 . 2 2 4 4 DC C3' C 13 77.309 0.000 . 1 . . . . B 13 DC C3' . 30473 1 167 . 2 2 4 4 DC C4' C 13 85.704 0.000 . 1 . . . . B 13 DC C4' . 30473 1 168 . 2 2 4 4 DC C5 C 13 99.042 0.000 . 1 . . . . B 13 DC C5 . 30473 1 169 . 2 2 4 4 DC C6 C 13 143.234 0.000 . 1 . . . . B 13 DC C6 . 30473 1 170 . 2 2 4 4 DC P P 31 -3.812 0.000 . 1 . . . . B 13 DC P . 30473 1 171 . 2 2 5 5 DG H1 H 1 13.029 0.000 . 1 . . . . B 14 DG H1 . 30473 1 172 . 2 2 5 5 DG H1' H 1 5.906 0.004 . 1 . . . . B 14 DG H1' . 30473 1 173 . 2 2 5 5 DG H2' H 1 2.695 0.003 . . . . . . B 14 DG H2' . 30473 1 174 . 2 2 5 5 DG H2'' H 1 2.725 0.004 . . . . . . B 14 DG H2'' . 30473 1 175 . 2 2 5 5 DG H3' H 1 4.996 0.002 . 1 . . . . B 14 DG H3' . 30473 1 176 . 2 2 5 5 DG H4' H 1 4.396 0.005 . 1 . . . . B 14 DG H4' . 30473 1 177 . 2 2 5 5 DG H5' H 1 4.136 0.002 . . . . . . B 14 DG H5' . 30473 1 178 . 2 2 5 5 DG H5'' H 1 4.068 0.002 . . . . . . B 14 DG H5'' . 30473 1 179 . 2 2 5 5 DG H8 H 1 7.922 0.000 . 1 . . . . B 14 DG H8 . 30473 1 180 . 2 2 5 5 DG C1' C 13 84.481 0.000 . 1 . . . . B 14 DG C1' . 30473 1 181 . 2 2 5 5 DG C3' C 13 79.698 0.000 . 1 . . . . B 14 DG C3' . 30473 1 182 . 2 2 5 5 DG C8 C 13 138.139 0.000 . 1 . . . . B 14 DG C8 . 30473 1 183 . 2 2 5 5 DG P P 31 -4.053 0.000 . 1 . . . . B 14 DG P . 30473 1 184 . 2 2 6 6 DC H1' H 1 5.943 0.002 . 1 . . . . B 15 DC H1' . 30473 1 185 . 2 2 6 6 DC H2' H 1 2.217 0.004 . . . . . . B 15 DC H2' . 30473 1 186 . 2 2 6 6 DC H2'' H 1 2.501 0.001 . . . . . . B 15 DC H2'' . 30473 1 187 . 2 2 6 6 DC H3' H 1 4.778 0.004 . 1 . . . . B 15 DC H3' . 30473 1 188 . 2 2 6 6 DC H4' H 1 4.226 0.002 . 1 . . . . B 15 DC H4' . 30473 1 189 . 2 2 6 6 DC H5 H 1 5.381 0.007 . 1 . . . . B 15 DC H5 . 30473 1 190 . 2 2 6 6 DC H5' H 1 4.259 0.005 . . . . . . B 15 DC H5' . 30473 1 191 . 2 2 6 6 DC H5'' H 1 4.174 0.000 . . . . . . B 15 DC H5'' . 30473 1 192 . 2 2 6 6 DC H6 H 1 7.399 0.002 . 1 . . . . B 15 DC H6 . 30473 1 193 . 2 2 6 6 DC H41 H 1 8.266 0.002 . . . . . . B 15 DC H41 . 30473 1 194 . 2 2 6 6 DC H42 H 1 6.414 0.001 . . . . . . B 15 DC H42 . 30473 1 195 . 2 2 6 6 DC C1' C 13 86.747 0.000 . 1 . . . . B 15 DC C1' . 30473 1 196 . 2 2 6 6 DC C3' C 13 76.627 0.000 . 1 . . . . B 15 DC C3' . 30473 1 197 . 2 2 6 6 DC C4' C 13 85.581 0.000 . 1 . . . . B 15 DC C4' . 30473 1 198 . 2 2 6 6 DC C5 C 13 98.353 0.000 . 1 . . . . B 15 DC C5 . 30473 1 199 . 2 2 6 6 DC C6 C 13 142.308 0.000 . 1 . . . . B 15 DC C6 . 30473 1 200 . 2 2 7 7 DC H1' H 1 5.904 0.003 . 1 . . . . B 16 DC H1' . 30473 1 201 . 2 2 7 7 DC H2' H 1 2.242 0.004 . . . . . . B 16 DC H2' . 30473 1 202 . 2 2 7 7 DC H2'' H 1 2.486 0.002 . . . . . . B 16 DC H2'' . 30473 1 203 . 2 2 7 7 DC H3' H 1 4.803 0.006 . 1 . . . . B 16 DC H3' . 30473 1 204 . 2 2 7 7 DC H4' H 1 4.154 0.000 . 1 . . . . B 16 DC H4' . 30473 1 205 . 2 2 7 7 DC H5 H 1 5.609 0.009 . 1 . . . . B 16 DC H5 . 30473 1 206 . 2 2 7 7 DC H5' H 1 4.161 0.003 . . . . . . B 16 DC H5' . 30473 1 207 . 2 2 7 7 DC H5'' H 1 4.108 0.001 . . . . . . B 16 DC H5'' . 30473 1 208 . 2 2 7 7 DC H6 H 1 7.570 0.003 . 1 . . . . B 16 DC H6 . 30473 1 209 . 2 2 7 7 DC H41 H 1 8.497 0.004 . . . . . . B 16 DC H41 . 30473 1 210 . 2 2 7 7 DC H42 H 1 6.780 0.004 . . . . . . B 16 DC H42 . 30473 1 211 . 2 2 7 7 DC C1' C 13 86.947 0.000 . 1 . . . . B 16 DC C1' . 30473 1 212 . 2 2 7 7 DC C3' C 13 76.019 0.000 . 1 . . . . B 16 DC C3' . 30473 1 213 . 2 2 7 7 DC C4' C 13 85.502 0.000 . 1 . . . . B 16 DC C4' . 30473 1 214 . 2 2 7 7 DC C5 C 13 98.692 0.000 . 1 . . . . B 16 DC C5 . 30473 1 215 . 2 2 7 7 DC C6 C 13 143.025 0.000 . 1 . . . . B 16 DC C6 . 30473 1 216 . 2 2 7 7 DC P P 31 -4.043 0.000 . 1 . . . . B 16 DC P . 30473 1 217 . 2 2 8 8 DC H1' H 1 6.060 0.004 . 1 . . . . B 17 DC H1' . 30473 1 218 . 2 2 8 8 DC H2' H 1 2.255 0.003 . . . . . . B 17 DC H2' . 30473 1 219 . 2 2 8 8 DC H2'' H 1 2.493 0.003 . . . . . . B 17 DC H2'' . 30473 1 220 . 2 2 8 8 DC H3' H 1 4.834 0.002 . 1 . . . . B 17 DC H3' . 30473 1 221 . 2 2 8 8 DC H4' H 1 4.166 0.001 . 1 . . . . B 17 DC H4' . 30473 1 222 . 2 2 8 8 DC H5 H 1 5.752 0.011 . 1 . . . . B 17 DC H5 . 30473 1 223 . 2 2 8 8 DC H5' H 1 4.167 0.001 . . . . . . B 17 DC H5' . 30473 1 224 . 2 2 8 8 DC H5'' H 1 4.094 0.006 . . . . . . B 17 DC H5'' . 30473 1 225 . 2 2 8 8 DC H6 H 1 7.645 0.002 . 1 . . . . B 17 DC H6 . 30473 1 226 . 2 2 8 8 DC H41 H 1 8.575 0.001 . . . . . . B 17 DC H41 . 30473 1 227 . 2 2 8 8 DC H42 H 1 6.995 0.001 . . . . . . B 17 DC H42 . 30473 1 228 . 2 2 8 8 DC C1' C 13 86.986 0.000 . 1 . . . . B 17 DC C1' . 30473 1 229 . 2 2 8 8 DC C3' C 13 75.798 0.000 . 1 . . . . B 17 DC C3' . 30473 1 230 . 2 2 8 8 DC C5 C 13 86.986 0.000 . 1 . . . . B 17 DC C5 . 30473 1 231 . 2 2 8 8 DC C6 C 13 143.354 0.000 . 1 . . . . B 17 DC C6 . 30473 1 232 . 2 2 8 8 DC P P 31 -4.001 0.000 . 1 . . . . B 17 DC P . 30473 1 233 . 2 2 9 9 DC H1' H 1 6.285 0.001 . 1 . . . . B 18 DC H1' . 30473 1 234 . 2 2 9 9 DC H3' H 1 4.572 0.001 . 1 . . . . B 18 DC H3' . 30473 1 235 . 2 2 9 9 DC H4' H 1 4.066 0.001 . 1 . . . . B 18 DC H4' . 30473 1 236 . 2 2 9 9 DC H5 H 1 5.897 0.009 . 1 . . . . B 18 DC H5 . 30473 1 237 . 2 2 9 9 DC H5' H 1 4.155 0.002 . . . . . . B 18 DC H5' . 30473 1 238 . 2 2 9 9 DC H5'' H 1 4.069 0.005 . . . . . . B 18 DC H5'' . 30473 1 239 . 2 2 9 9 DC H6 H 1 7.755 0.004 . 1 . . . . B 18 DC H6 . 30473 1 240 . 2 2 9 9 DC C1' C 13 87.279 0.000 . 1 . . . . B 18 DC C1' . 30473 1 241 . 2 2 9 9 DC C3' C 13 72.083 0.000 . 1 . . . . B 18 DC C3' . 30473 1 242 . 2 2 9 9 DC C4' C 13 87.074 0.000 . 1 . . . . B 18 DC C4' . 30473 1 243 . 2 2 9 9 DC C5 C 13 99.096 0.000 . 1 . . . . B 18 DC C5 . 30473 1 244 . 2 2 9 9 DC C6 C 13 144.180 0.000 . 1 . . . . B 18 DC C6 . 30473 1 stop_ save_