################################### # 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 34441 _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' . . . 34441 1 2 '2D 1H-15N HSQC' . . . 34441 1 3 '2D 1H-13C HSQC aromatic' . . . 34441 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 DA H1' H 1 5.793 0.002 . 1 . . . . A 1 DA H1' . 34441 1 2 . 1 . 1 1 1 DA H2 H 1 7.846 0.002 . 1 . . . . A 1 DA H2 . 34441 1 3 . 1 . 1 1 1 DA H2' H 1 2.465 0.002 . 2 . . . . A 1 DA H2' . 34441 1 4 . 1 . 1 1 1 DA H2'' H 1 2.590 0.004 . 2 . . . . A 1 DA H2'' . 34441 1 5 . 1 . 1 1 1 DA H3' H 1 4.875 0.002 . 1 . . . . A 1 DA H3' . 34441 1 6 . 1 . 1 1 1 DA H4' H 1 4.255 0.001 . 1 . . . . A 1 DA H4' . 34441 1 7 . 1 . 1 1 1 DA H5' H 1 3.769 0.001 . 1 . . . . A 1 DA H5' . 34441 1 8 . 1 . 1 1 1 DA H5'' H 1 3.769 0.001 . 1 . . . . A 1 DA H5'' . 34441 1 9 . 1 . 1 1 1 DA H8 H 1 7.806 0.001 . 1 . . . . A 1 DA H8 . 34441 1 10 . 1 . 1 1 1 DA C2 C 13 152.403 0.000 . 1 . . . . A 1 DA C2 . 34441 1 11 . 1 . 1 1 1 DA C8 C 13 139.163 0.000 . 1 . . . . A 1 DA C8 . 34441 1 12 . 1 . 1 2 2 DG H1 H 1 11.621 0.003 . 1 . . . . A 2 DG H1 . 34441 1 13 . 1 . 1 2 2 DG H1' H 1 6.113 0.003 . 1 . . . . A 2 DG H1' . 34441 1 14 . 1 . 1 2 2 DG H2' H 1 2.820 0.002 . 2 . . . . A 2 DG H2' . 34441 1 15 . 1 . 1 2 2 DG H2'' H 1 3.055 0.003 . 2 . . . . A 2 DG H2'' . 34441 1 16 . 1 . 1 2 2 DG H3' H 1 5.097 0.003 . 1 . . . . A 2 DG H3' . 34441 1 17 . 1 . 1 2 2 DG H4' H 1 4.537 0.000 . 1 . . . . A 2 DG H4' . 34441 1 18 . 1 . 1 2 2 DG H5' H 1 4.377 0.006 . 2 . . . . A 2 DG H5' . 34441 1 19 . 1 . 1 2 2 DG H5'' H 1 4.286 0.003 . 2 . . . . A 2 DG H5'' . 34441 1 20 . 1 . 1 2 2 DG H8 H 1 8.025 0.002 . 1 . . . . A 2 DG H8 . 34441 1 21 . 1 . 1 2 2 DG C8 C 13 138.848 0.000 . 1 . . . . A 2 DG C8 . 34441 1 22 . 1 . 1 2 2 DG N1 N 15 144.486 0.000 . 1 . . . . A 2 DG N1 . 34441 1 23 . 1 . 1 3 3 DG H1 H 1 11.249 0.001 . 1 . . . . A 3 DG H1 . 34441 1 24 . 1 . 1 3 3 DG H1' H 1 6.169 0.003 . 1 . . . . A 3 DG H1' . 34441 1 25 . 1 . 1 3 3 DG H2' H 1 2.541 0.003 . 2 . . . . A 3 DG H2' . 34441 1 26 . 1 . 1 3 3 DG H2'' H 1 2.938 0.001 . 2 . . . . A 3 DG H2'' . 34441 1 27 . 1 . 1 3 3 DG H3' H 1 4.989 0.004 . 1 . . . . A 3 DG H3' . 34441 1 28 . 1 . 1 3 3 DG H4' H 1 4.587 0.010 . 1 . . . . A 3 DG H4' . 34441 1 29 . 1 . 1 3 3 DG H5' H 1 4.437 0.000 . 2 . . . . A 3 DG H5' . 34441 1 30 . 1 . 1 3 3 DG H5'' H 1 4.363 0.000 . 2 . . . . A 3 DG H5'' . 34441 1 31 . 1 . 1 3 3 DG H8 H 1 7.602 0.002 . 1 . . . . A 3 DG H8 . 34441 1 32 . 1 . 1 3 3 DG C8 C 13 134.350 0.000 . 1 . . . . A 3 DG C8 . 34441 1 33 . 1 . 1 3 3 DG N1 N 15 144.978 0.000 . 1 . . . . A 3 DG N1 . 34441 1 34 . 1 . 1 4 4 DG H1 H 1 11.226 0.005 . 1 . . . . A 4 DG H1 . 34441 1 35 . 1 . 1 4 4 DG H1' H 1 6.374 0.001 . 1 . . . . A 4 DG H1' . 34441 1 36 . 1 . 1 4 4 DG H2' H 1 2.590 0.004 . 2 . . . . A 4 DG H2' . 34441 1 37 . 1 . 1 4 4 DG H2'' H 1 2.710 0.003 . 2 . . . . A 4 DG H2'' . 34441 1 38 . 1 . 1 4 4 DG H3' H 1 5.155 0.002 . 1 . . . . A 4 DG H3' . 34441 1 39 . 1 . 1 4 4 DG H4' H 1 4.364 0.000 . 1 . . . . A 4 DG H4' . 34441 1 40 . 1 . 1 4 4 DG H8 H 1 7.727 0.002 . 1 . . . . A 4 DG H8 . 34441 1 41 . 1 . 1 4 4 DG C8 C 13 135.344 0.000 . 1 . . . . A 4 DG C8 . 34441 1 42 . 1 . 1 4 4 DG N1 N 15 144.493 0.000 . 1 . . . . A 4 DG N1 . 34441 1 43 . 1 . 1 5 5 DC H1' H 1 6.544 0.004 . 1 . . . . A 5 DC H1' . 34441 1 44 . 1 . 1 5 5 DC H2' H 1 2.465 0.005 . 2 . . . . A 5 DC H2' . 34441 1 45 . 1 . 1 5 5 DC H2'' H 1 2.799 0.002 . 2 . . . . A 5 DC H2'' . 34441 1 46 . 1 . 1 5 5 DC H3' H 1 5.152 0.002 . 1 . . . . A 5 DC H3' . 34441 1 47 . 1 . 1 5 5 DC H4' H 1 4.441 0.004 . 1 . . . . A 5 DC H4' . 34441 1 48 . 1 . 1 5 5 DC H5 H 1 6.246 0.003 . 1 . . . . A 5 DC H5 . 34441 1 49 . 1 . 1 5 5 DC H5' H 1 4.367 0.002 . 1 . . . . A 5 DC H5' . 34441 1 50 . 1 . 1 5 5 DC H5'' H 1 4.367 0.002 . 1 . . . . A 5 DC H5'' . 34441 1 51 . 1 . 1 5 5 DC H6 H 1 8.086 0.002 . 1 . . . . A 5 DC H6 . 34441 1 52 . 1 . 1 5 5 DC C6 C 13 141.560 0.000 . 1 . . . . A 5 DC C6 . 34441 1 53 . 1 . 1 6 6 DG H1 H 1 11.948 0.001 . 1 . . . . A 6 DG H1 . 34441 1 54 . 1 . 1 6 6 DG H1' H 1 6.269 0.002 . 1 . . . . A 6 DG H1' . 34441 1 55 . 1 . 1 6 6 DG H2' H 1 2.496 0.002 . 2 . . . . A 6 DG H2' . 34441 1 56 . 1 . 1 6 6 DG H2'' H 1 3.028 0.003 . 2 . . . . A 6 DG H2'' . 34441 1 57 . 1 . 1 6 6 DG H3' H 1 5.250 0.004 . 1 . . . . A 6 DG H3' . 34441 1 58 . 1 . 1 6 6 DG H4' H 1 4.537 0.004 . 1 . . . . A 6 DG H4' . 34441 1 59 . 1 . 1 6 6 DG H5' H 1 4.393 0.002 . 2 . . . . A 6 DG H5' . 34441 1 60 . 1 . 1 6 6 DG H5'' H 1 4.307 0.005 . 2 . . . . A 6 DG H5'' . 34441 1 61 . 1 . 1 6 6 DG H8 H 1 8.142 0.002 . 1 . . . . A 6 DG H8 . 34441 1 62 . 1 . 1 6 6 DG C8 C 13 135.386 0.000 . 1 . . . . A 6 DG C8 . 34441 1 63 . 1 . 1 6 6 DG N1 N 15 144.402 0.000 . 1 . . . . A 6 DG N1 . 34441 1 64 . 1 . 1 7 7 DG H1 H 1 11.290 0.006 . 1 . . . . A 7 DG H1 . 34441 1 65 . 1 . 1 7 7 DG H1' H 1 6.347 0.002 . 1 . . . . A 7 DG H1' . 34441 1 66 . 1 . 1 7 7 DG H2' H 1 2.734 0.004 . 2 . . . . A 7 DG H2' . 34441 1 67 . 1 . 1 7 7 DG H2'' H 1 2.869 0.006 . 2 . . . . A 7 DG H2'' . 34441 1 68 . 1 . 1 7 7 DG H3' H 1 5.233 0.004 . 1 . . . . A 7 DG H3' . 34441 1 69 . 1 . 1 7 7 DG H4' H 1 4.504 0.000 . 1 . . . . A 7 DG H4' . 34441 1 70 . 1 . 1 7 7 DG H5' H 1 4.397 0.005 . 1 . . . . A 7 DG H5' . 34441 1 71 . 1 . 1 7 7 DG H5'' H 1 4.397 0.005 . 1 . . . . A 7 DG H5'' . 34441 1 72 . 1 . 1 7 7 DG H8 H 1 7.970 0.003 . 1 . . . . A 7 DG H8 . 34441 1 73 . 1 . 1 7 7 DG C8 C 13 135.793 0.000 . 1 . . . . A 7 DG C8 . 34441 1 74 . 1 . 1 7 7 DG N1 N 15 142.516 0.000 . 1 . . . . A 7 DG N1 . 34441 1 75 . 1 . 1 8 8 DT H1' H 1 5.798 0.002 . 1 . . . . A 8 DT H1' . 34441 1 76 . 1 . 1 8 8 DT H2' H 1 2.225 0.004 . 2 . . . . A 8 DT H2' . 34441 1 77 . 1 . 1 8 8 DT H2'' H 1 2.330 0.001 . 2 . . . . A 8 DT H2'' . 34441 1 78 . 1 . 1 8 8 DT H6 H 1 7.443 0.005 . 1 . . . . A 8 DT H6 . 34441 1 79 . 1 . 1 8 8 DT H71 H 1 1.622 0.002 . 1 . . . . A 8 DT H71 . 34441 1 80 . 1 . 1 8 8 DT H72 H 1 1.622 0.002 . 1 . . . . A 8 DT H72 . 34441 1 81 . 1 . 1 8 8 DT H73 H 1 1.622 0.002 . 1 . . . . A 8 DT H73 . 34441 1 82 . 1 . 1 8 8 DT C6 C 13 137.535 0.000 . 1 . . . . A 8 DT C6 . 34441 1 83 . 1 . 1 9 9 DG H1 H 1 11.319 0.004 . 1 . . . . A 9 DG H1 . 34441 1 84 . 1 . 1 9 9 DG H1' H 1 6.506 0.003 . 1 . . . . A 9 DG H1' . 34441 1 85 . 1 . 1 9 9 DG H2' H 1 2.503 0.001 . 2 . . . . A 9 DG H2' . 34441 1 86 . 1 . 1 9 9 DG H2'' H 1 3.095 0.003 . 2 . . . . A 9 DG H2'' . 34441 1 87 . 1 . 1 9 9 DG H3' H 1 5.091 0.002 . 1 . . . . A 9 DG H3' . 34441 1 88 . 1 . 1 9 9 DG H4' H 1 4.530 0.009 . 1 . . . . A 9 DG H4' . 34441 1 89 . 1 . 1 9 9 DG H5' H 1 4.371 0.000 . 2 . . . . A 9 DG H5' . 34441 1 90 . 1 . 1 9 9 DG H5'' H 1 4.232 0.003 . 2 . . . . A 9 DG H5'' . 34441 1 91 . 1 . 1 9 9 DG H8 H 1 7.676 0.003 . 1 . . . . A 9 DG H8 . 34441 1 92 . 1 . 1 9 9 DG C8 C 13 135.415 0.000 . 1 . . . . A 9 DG C8 . 34441 1 93 . 1 . 1 9 9 DG N1 N 15 144.187 0.000 . 1 . . . . A 9 DG N1 . 34441 1 94 . 1 . 1 10 10 DT H1' H 1 6.597 0.003 . 1 . . . . A 10 DT H1' . 34441 1 95 . 1 . 1 10 10 DT H2' H 1 2.591 0.001 . 2 . . . . A 10 DT H2' . 34441 1 96 . 1 . 1 10 10 DT H2'' H 1 2.690 0.044 . 2 . . . . A 10 DT H2'' . 34441 1 97 . 1 . 1 10 10 DT H3' H 1 5.238 0.001 . 1 . . . . A 10 DT H3' . 34441 1 98 . 1 . 1 10 10 DT H4' H 1 4.486 0.000 . 1 . . . . A 10 DT H4' . 34441 1 99 . 1 . 1 10 10 DT H5' H 1 4.361 0.002 . 1 . . . . A 10 DT H5' . 34441 1 100 . 1 . 1 10 10 DT H5'' H 1 4.361 0.002 . 1 . . . . A 10 DT H5'' . 34441 1 101 . 1 . 1 10 10 DT H6 H 1 8.029 0.005 . 1 . . . . A 10 DT H6 . 34441 1 102 . 1 . 1 10 10 DT H71 H 1 2.042 0.002 . 1 . . . . A 10 DT H71 . 34441 1 103 . 1 . 1 10 10 DT H72 H 1 2.042 0.002 . 1 . . . . A 10 DT H72 . 34441 1 104 . 1 . 1 10 10 DT H73 H 1 2.042 0.002 . 1 . . . . A 10 DT H73 . 34441 1 105 . 1 . 1 10 10 DT C6 C 13 137.654 0.000 . 1 . . . . A 10 DT C6 . 34441 1 106 . 1 . 1 11 11 DG H1 H 1 11.837 0.001 . 1 . . . . A 11 DG H1 . 34441 1 107 . 1 . 1 11 11 DG H1' H 1 6.201 0.001 . 1 . . . . A 11 DG H1' . 34441 1 108 . 1 . 1 11 11 DG H2' H 1 2.662 0.003 . 2 . . . . A 11 DG H2' . 34441 1 109 . 1 . 1 11 11 DG H2'' H 1 3.008 0.002 . 2 . . . . A 11 DG H2'' . 34441 1 110 . 1 . 1 11 11 DG H3' H 1 5.165 0.003 . 1 . . . . A 11 DG H3' . 34441 1 111 . 1 . 1 11 11 DG H4' H 1 4.533 0.000 . 1 . . . . A 11 DG H4' . 34441 1 112 . 1 . 1 11 11 DG H5' H 1 4.345 0.000 . 1 . . . . A 11 DG H5' . 34441 1 113 . 1 . 1 11 11 DG H5'' H 1 4.345 0.000 . 1 . . . . A 11 DG H5'' . 34441 1 114 . 1 . 1 11 11 DG H8 H 1 8.142 0.003 . 1 . . . . A 11 DG H8 . 34441 1 115 . 1 . 1 11 11 DG C8 C 13 138.840 0.000 . 1 . . . . A 11 DG C8 . 34441 1 116 . 1 . 1 11 11 DG N1 N 15 144.670 0.000 . 1 . . . . A 11 DG N1 . 34441 1 117 . 1 . 1 12 12 DG H1 H 1 11.490 0.001 . 1 . . . . A 12 DG H1 . 34441 1 118 . 1 . 1 12 12 DG H1' H 1 6.131 0.002 . 1 . . . . A 12 DG H1' . 34441 1 119 . 1 . 1 12 12 DG H2' H 1 2.751 0.004 . 1 . . . . A 12 DG H2' . 34441 1 120 . 1 . 1 12 12 DG H2'' H 1 2.751 0.004 . 1 . . . . A 12 DG H2'' . 34441 1 121 . 1 . 1 12 12 DG H3' H 1 5.035 0.002 . 1 . . . . A 12 DG H3' . 34441 1 122 . 1 . 1 12 12 DG H4' H 1 4.551 0.002 . 1 . . . . A 12 DG H4' . 34441 1 123 . 1 . 1 12 12 DG H5' H 1 4.340 0.001 . 1 . . . . A 12 DG H5' . 34441 1 124 . 1 . 1 12 12 DG H5'' H 1 4.340 0.001 . 1 . . . . A 12 DG H5'' . 34441 1 125 . 1 . 1 12 12 DG H8 H 1 7.983 0.005 . 1 . . . . A 12 DG H8 . 34441 1 126 . 1 . 1 12 12 DG C8 C 13 136.038 0.000 . 1 . . . . A 12 DG C8 . 34441 1 127 . 1 . 1 12 12 DG N1 N 15 143.257 0.000 . 1 . . . . A 12 DG N1 . 34441 1 128 . 1 . 1 13 13 DG H1 H 1 11.249 0.002 . 1 . . . . A 13 DG H1 . 34441 1 129 . 1 . 1 13 13 DG H1' H 1 6.370 0.004 . 1 . . . . A 13 DG H1' . 34441 1 130 . 1 . 1 13 13 DG H2' H 1 2.499 0.007 . 2 . . . . A 13 DG H2' . 34441 1 131 . 1 . 1 13 13 DG H2'' H 1 2.609 0.010 . 2 . . . . A 13 DG H2'' . 34441 1 132 . 1 . 1 13 13 DG H3' H 1 4.841 0.003 . 1 . . . . A 13 DG H3' . 34441 1 133 . 1 . 1 13 13 DG H4' H 1 4.352 0.000 . 1 . . . . A 13 DG H4' . 34441 1 134 . 1 . 1 13 13 DG H5' H 1 4.176 0.000 . 2 . . . . A 13 DG H5' . 34441 1 135 . 1 . 1 13 13 DG H5'' H 1 3.653 0.001 . 2 . . . . A 13 DG H5'' . 34441 1 136 . 1 . 1 13 13 DG H8 H 1 7.785 0.003 . 1 . . . . A 13 DG H8 . 34441 1 137 . 1 . 1 13 13 DG C8 C 13 135.343 0.000 . 1 . . . . A 13 DG C8 . 34441 1 138 . 1 . 1 13 13 DG N1 N 15 142.411 0.000 . 1 . . . . A 13 DG N1 . 34441 1 139 . 1 . 1 14 14 DA H1' H 1 6.071 0.002 . 1 . . . . A 14 DA H1' . 34441 1 140 . 1 . 1 14 14 DA H2 H 1 8.087 0.000 . 1 . . . . A 14 DA H2 . 34441 1 141 . 1 . 1 14 14 DA H2' H 1 2.744 0.003 . 1 . . . . A 14 DA H2' . 34441 1 142 . 1 . 1 14 14 DA H2'' H 1 2.744 0.003 . 1 . . . . A 14 DA H2'' . 34441 1 143 . 1 . 1 14 14 DA H3' H 1 5.003 0.000 . 1 . . . . A 14 DA H3' . 34441 1 144 . 1 . 1 14 14 DA H4' H 1 4.555 0.000 . 1 . . . . A 14 DA H4' . 34441 1 145 . 1 . 1 14 14 DA H5' H 1 4.357 0.000 . 2 . . . . A 14 DA H5' . 34441 1 146 . 1 . 1 14 14 DA H5'' H 1 4.150 0.001 . 2 . . . . A 14 DA H5'' . 34441 1 147 . 1 . 1 14 14 DA H8 H 1 7.946 0.005 . 1 . . . . A 14 DA H8 . 34441 1 148 . 1 . 1 14 14 DA C2 C 13 152.613 0.000 . 1 . . . . A 14 DA C2 . 34441 1 149 . 1 . 1 14 14 DA C8 C 13 137.035 0.000 . 1 . . . . A 14 DA C8 . 34441 1 150 . 1 . 1 15 15 DA H1' H 1 5.944 0.002 . 1 . . . . A 15 DA H1' . 34441 1 151 . 1 . 1 15 15 DA H2' H 1 2.514 0.002 . 2 . . . . A 15 DA H2' . 34441 1 152 . 1 . 1 15 15 DA H2'' H 1 2.591 0.003 . 2 . . . . A 15 DA H2'' . 34441 1 153 . 1 . 1 15 15 DA H3' H 1 4.999 0.004 . 1 . . . . A 15 DA H3' . 34441 1 154 . 1 . 1 15 15 DA H4' H 1 4.390 0.000 . 1 . . . . A 15 DA H4' . 34441 1 155 . 1 . 1 15 15 DA H5' H 1 4.315 0.000 . 2 . . . . A 15 DA H5' . 34441 1 156 . 1 . 1 15 15 DA H5'' H 1 4.146 0.004 . 2 . . . . A 15 DA H5'' . 34441 1 157 . 1 . 1 15 15 DA H8 H 1 8.135 0.001 . 1 . . . . A 15 DA H8 . 34441 1 158 . 1 . 1 15 15 DA C8 C 13 139.087 0.000 . 1 . . . . A 15 DA C8 . 34441 1 159 . 1 . 1 16 16 DG H1' H 1 5.390 0.001 . 1 . . . . A 16 DG H1' . 34441 1 160 . 1 . 1 16 16 DG H2' H 1 2.376 0.002 . 1 . . . . A 16 DG H2' . 34441 1 161 . 1 . 1 16 16 DG H2'' H 1 2.376 0.002 . 1 . . . . A 16 DG H2'' . 34441 1 162 . 1 . 1 16 16 DG H3' H 1 4.929 0.000 . 1 . . . . A 16 DG H3' . 34441 1 163 . 1 . 1 16 16 DG H4' H 1 4.241 0.003 . 1 . . . . A 16 DG H4' . 34441 1 164 . 1 . 1 16 16 DG H5' H 1 4.125 0.004 . 2 . . . . A 16 DG H5' . 34441 1 165 . 1 . 1 16 16 DG H5'' H 1 4.040 0.001 . 2 . . . . A 16 DG H5'' . 34441 1 166 . 1 . 1 16 16 DG H8 H 1 7.786 0.001 . 1 . . . . A 16 DG H8 . 34441 1 167 . 1 . 1 16 16 DG C8 C 13 136.636 0.000 . 1 . . . . A 16 DG C8 . 34441 1 168 . 1 . 1 17 17 DA H1' H 1 5.979 0.002 . 1 . . . . A 17 DA H1' . 34441 1 169 . 1 . 1 17 17 DA H2' H 1 2.568 0.005 . 1 . . . . A 17 DA H2' . 34441 1 170 . 1 . 1 17 17 DA H2'' H 1 2.568 0.005 . 1 . . . . A 17 DA H2'' . 34441 1 171 . 1 . 1 17 17 DA H3' H 1 4.959 0.002 . 1 . . . . A 17 DA H3' . 34441 1 172 . 1 . 1 17 17 DA H4' H 1 4.329 0.003 . 1 . . . . A 17 DA H4' . 34441 1 173 . 1 . 1 17 17 DA H5' H 1 4.084 0.004 . 1 . . . . A 17 DA H5' . 34441 1 174 . 1 . 1 17 17 DA H5'' H 1 4.084 0.004 . 1 . . . . A 17 DA H5'' . 34441 1 175 . 1 . 1 17 17 DA H8 H 1 8.087 0.002 . 1 . . . . A 17 DA H8 . 34441 1 176 . 1 . 1 17 17 DA C8 C 13 139.059 0.000 . 1 . . . . A 17 DA C8 . 34441 1 177 . 1 . 1 18 18 DG H1' H 1 5.665 0.001 . 1 . . . . A 18 DG H1' . 34441 1 178 . 1 . 1 18 18 DG H2' H 1 2.402 0.004 . 1 . . . . A 18 DG H2' . 34441 1 179 . 1 . 1 18 18 DG H2'' H 1 2.402 0.004 . 1 . . . . A 18 DG H2'' . 34441 1 180 . 1 . 1 18 18 DG H3' H 1 4.893 0.007 . 1 . . . . A 18 DG H3' . 34441 1 181 . 1 . 1 18 18 DG H4' H 1 4.258 0.000 . 1 . . . . A 18 DG H4' . 34441 1 182 . 1 . 1 18 18 DG H5' H 1 4.043 0.000 . 1 . . . . A 18 DG H5' . 34441 1 183 . 1 . 1 18 18 DG H5'' H 1 4.043 0.000 . 1 . . . . A 18 DG H5'' . 34441 1 184 . 1 . 1 18 18 DG H8 H 1 7.747 0.003 . 1 . . . . A 18 DG H8 . 34441 1 185 . 1 . 1 18 18 DG C8 C 13 136.474 0.000 . 1 . . . . A 18 DG C8 . 34441 1 186 . 1 . 1 19 19 DG H1' H 1 5.751 0.003 . 1 . . . . A 19 DG H1' . 34441 1 187 . 1 . 1 19 19 DG H2' H 1 2.388 0.003 . 2 . . . . A 19 DG H2' . 34441 1 188 . 1 . 1 19 19 DG H2'' H 1 2.452 0.002 . 2 . . . . A 19 DG H2'' . 34441 1 189 . 1 . 1 19 19 DG H3' H 1 4.906 0.000 . 1 . . . . A 19 DG H3' . 34441 1 190 . 1 . 1 19 19 DG H4' H 1 4.237 0.000 . 1 . . . . A 19 DG H4' . 34441 1 191 . 1 . 1 19 19 DG H5' H 1 4.046 0.000 . 2 . . . . A 19 DG H5' . 34441 1 192 . 1 . 1 19 19 DG H5'' H 1 3.936 0.001 . 2 . . . . A 19 DG H5'' . 34441 1 193 . 1 . 1 19 19 DG H8 H 1 7.756 0.002 . 1 . . . . A 19 DG H8 . 34441 1 194 . 1 . 1 19 19 DG C8 C 13 136.704 0.000 . 1 . . . . A 19 DG C8 . 34441 1 195 . 1 . 1 20 20 DG H1' H 1 5.553 0.001 . 1 . . . . A 20 DG H1' . 34441 1 196 . 1 . 1 20 20 DG H2' H 1 2.413 0.002 . 1 . . . . A 20 DG H2' . 34441 1 197 . 1 . 1 20 20 DG H2'' H 1 2.413 0.002 . 1 . . . . A 20 DG H2'' . 34441 1 198 . 1 . 1 20 20 DG H3' H 1 4.860 0.000 . 1 . . . . A 20 DG H3' . 34441 1 199 . 1 . 1 20 20 DG H5' H 1 4.073 0.002 . 1 . . . . A 20 DG H5' . 34441 1 200 . 1 . 1 20 20 DG H5'' H 1 4.073 0.002 . 1 . . . . A 20 DG H5'' . 34441 1 201 . 1 . 1 20 20 DG H8 H 1 7.813 0.002 . 1 . . . . A 20 DG H8 . 34441 1 202 . 1 . 1 20 20 DG C8 C 13 136.609 0.000 . 1 . . . . A 20 DG C8 . 34441 1 203 . 1 . 1 21 21 DA H1' H 1 5.934 0.001 . 1 . . . . A 21 DA H1' . 34441 1 204 . 1 . 1 21 21 DA H2' H 1 2.520 0.003 . 1 . . . . A 21 DA H2' . 34441 1 205 . 1 . 1 21 21 DA H2'' H 1 2.520 0.003 . 1 . . . . A 21 DA H2'' . 34441 1 206 . 1 . 1 21 21 DA H3' H 1 4.894 0.000 . 1 . . . . A 21 DA H3' . 34441 1 207 . 1 . 1 21 21 DA H5' H 1 3.956 0.005 . 2 . . . . A 21 DA H5' . 34441 1 208 . 1 . 1 21 21 DA H5'' H 1 3.871 0.003 . 2 . . . . A 21 DA H5'' . 34441 1 209 . 1 . 1 21 21 DA H8 H 1 8.109 0.002 . 1 . . . . A 21 DA H8 . 34441 1 210 . 1 . 1 21 21 DA C8 C 13 139.290 0.000 . 1 . . . . A 21 DA C8 . 34441 1 211 . 1 . 1 22 22 DA H1' H 1 5.646 0.002 . 1 . . . . A 22 DA H1' . 34441 1 212 . 1 . 1 22 22 DA H2' H 1 2.287 0.004 . 2 . . . . A 22 DA H2' . 34441 1 213 . 1 . 1 22 22 DA H2'' H 1 2.367 0.005 . 2 . . . . A 22 DA H2'' . 34441 1 214 . 1 . 1 22 22 DA H3' H 1 4.849 0.000 . 1 . . . . A 22 DA H3' . 34441 1 215 . 1 . 1 22 22 DA H8 H 1 7.656 0.001 . 1 . . . . A 22 DA H8 . 34441 1 216 . 1 . 1 22 22 DA C8 C 13 136.457 0.000 . 1 . . . . A 22 DA C8 . 34441 1 217 . 1 . 1 23 23 DG H1' H 1 5.676 0.004 . 1 . . . . A 23 DG H1' . 34441 1 218 . 1 . 1 23 23 DG H2' H 1 2.430 0.003 . 2 . . . . A 23 DG H2' . 34441 1 219 . 1 . 1 23 23 DG H2'' H 1 2.484 0.002 . 2 . . . . A 23 DG H2'' . 34441 1 220 . 1 . 1 23 23 DG H3' H 1 4.913 0.000 . 1 . . . . A 23 DG H3' . 34441 1 221 . 1 . 1 23 23 DG H4' H 1 4.306 0.000 . 1 . . . . A 23 DG H4' . 34441 1 222 . 1 . 1 23 23 DG H5' H 1 4.057 0.002 . 1 . . . . A 23 DG H5' . 34441 1 223 . 1 . 1 23 23 DG H5'' H 1 4.057 0.002 . 1 . . . . A 23 DG H5'' . 34441 1 224 . 1 . 1 23 23 DG H8 H 1 7.791 0.002 . 1 . . . . A 23 DG H8 . 34441 1 225 . 1 . 1 23 23 DG C8 C 13 136.650 0.000 . 1 . . . . A 23 DG C8 . 34441 1 226 . 1 . 1 24 24 DA H1' H 1 6.232 0.002 . 1 . . . . A 24 DA H1' . 34441 1 227 . 1 . 1 24 24 DA H2' H 1 2.706 0.003 . 1 . . . . A 24 DA H2' . 34441 1 228 . 1 . 1 24 24 DA H2'' H 1 2.706 0.003 . 1 . . . . A 24 DA H2'' . 34441 1 229 . 1 . 1 24 24 DA H3' H 1 4.961 0.008 . 1 . . . . A 24 DA H3' . 34441 1 230 . 1 . 1 24 24 DA H4' H 1 4.394 0.000 . 1 . . . . A 24 DA H4' . 34441 1 231 . 1 . 1 24 24 DA H5' H 1 4.073 0.004 . 2 . . . . A 24 DA H5' . 34441 1 232 . 1 . 1 24 24 DA H5'' H 1 4.148 0.000 . 2 . . . . A 24 DA H5'' . 34441 1 233 . 1 . 1 24 24 DA H8 H 1 8.164 0.002 . 1 . . . . A 24 DA H8 . 34441 1 234 . 1 . 1 24 24 DA C8 C 13 139.260 0.000 . 1 . . . . A 24 DA C8 . 34441 1 235 . 1 . 1 25 25 DT H1' H 1 5.716 0.002 . 1 . . . . A 25 DT H1' . 34441 1 236 . 1 . 1 25 25 DT H2' H 1 2.344 0.004 . 2 . . . . A 25 DT H2' . 34441 1 237 . 1 . 1 25 25 DT H2'' H 1 2.541 0.002 . 2 . . . . A 25 DT H2'' . 34441 1 238 . 1 . 1 25 25 DT H3' H 1 4.928 0.000 . 1 . . . . A 25 DT H3' . 34441 1 239 . 1 . 1 25 25 DT H5' H 1 4.238 0.003 . 1 . . . . A 25 DT H5' . 34441 1 240 . 1 . 1 25 25 DT H5'' H 1 4.238 0.003 . 1 . . . . A 25 DT H5'' . 34441 1 241 . 1 . 1 25 25 DT H6 H 1 7.418 0.002 . 1 . . . . A 25 DT H6 . 34441 1 242 . 1 . 1 25 25 DT H71 H 1 1.336 0.001 . 1 . . . . A 25 DT H71 . 34441 1 243 . 1 . 1 25 25 DT H72 H 1 1.336 0.001 . 1 . . . . A 25 DT H72 . 34441 1 244 . 1 . 1 25 25 DT H73 H 1 1.336 0.001 . 1 . . . . A 25 DT H73 . 34441 1 245 . 1 . 1 25 25 DT C6 C 13 136.809 0.000 . 1 . . . . A 25 DT C6 . 34441 1 246 . 1 . 1 26 26 DG H1 H 1 11.342 0.002 . 1 . . . . A 26 DG H1 . 34441 1 247 . 1 . 1 26 26 DG H1' H 1 6.127 0.001 . 1 . . . . A 26 DG H1' . 34441 1 248 . 1 . 1 26 26 DG H2' H 1 2.873 0.005 . 2 . . . . A 26 DG H2' . 34441 1 249 . 1 . 1 26 26 DG H2'' H 1 3.002 0.001 . 2 . . . . A 26 DG H2'' . 34441 1 250 . 1 . 1 26 26 DG H3' H 1 5.183 0.001 . 1 . . . . A 26 DG H3' . 34441 1 251 . 1 . 1 26 26 DG H8 H 1 8.124 0.001 . 1 . . . . A 26 DG H8 . 34441 1 252 . 1 . 1 26 26 DG C8 C 13 135.564 0.000 . 1 . . . . A 26 DG C8 . 34441 1 253 . 1 . 1 26 26 DG N1 N 15 144.649 0.000 . 1 . . . . A 26 DG N1 . 34441 1 254 . 1 . 1 27 27 DG H1 H 1 11.308 0.002 . 1 . . . . A 27 DG H1 . 34441 1 255 . 1 . 1 27 27 DG H1' H 1 6.126 0.002 . 1 . . . . A 27 DG H1' . 34441 1 256 . 1 . 1 27 27 DG H2' H 1 2.723 0.002 . 2 . . . . A 27 DG H2' . 34441 1 257 . 1 . 1 27 27 DG H2'' H 1 2.828 0.001 . 2 . . . . A 27 DG H2'' . 34441 1 258 . 1 . 1 27 27 DG H3' H 1 5.102 0.002 . 1 . . . . A 27 DG H3' . 34441 1 259 . 1 . 1 27 27 DG H8 H 1 7.846 0.002 . 1 . . . . A 27 DG H8 . 34441 1 260 . 1 . 1 27 27 DG C8 C 13 134.773 0.000 . 1 . . . . A 27 DG C8 . 34441 1 261 . 1 . 1 27 27 DG N1 N 15 143.285 0.000 . 1 . . . . A 27 DG N1 . 34441 1 262 . 1 . 1 28 28 DG H1 H 1 10.977 0.009 . 1 . . . . A 28 DG H1 . 34441 1 263 . 1 . 1 28 28 DG H1' H 1 5.986 0.002 . 1 . . . . A 28 DG H1' . 34441 1 264 . 1 . 1 28 28 DG H2' H 1 2.380 0.001 . 2 . . . . A 28 DG H2' . 34441 1 265 . 1 . 1 28 28 DG H2'' H 1 2.687 0.002 . 2 . . . . A 28 DG H2'' . 34441 1 266 . 1 . 1 28 28 DG H3' H 1 5.021 0.003 . 1 . . . . A 28 DG H3' . 34441 1 267 . 1 . 1 28 28 DG H8 H 1 7.610 0.001 . 1 . . . . A 28 DG H8 . 34441 1 268 . 1 . 1 28 28 DG C8 C 13 134.649 0.000 . 1 . . . . A 28 DG C8 . 34441 1 269 . 1 . 1 28 28 DG N1 N 15 144.184 0.000 . 1 . . . . A 28 DG N1 . 34441 1 270 . 1 . 1 29 29 DG H1' H 1 5.426 0.001 . 1 . . . . A 29 DG H1' . 34441 1 271 . 1 . 1 29 29 DG H2' H 1 2.272 0.001 . 2 . . . . A 29 DG H2' . 34441 1 272 . 1 . 1 29 29 DG H2'' H 1 2.345 0.000 . 2 . . . . A 29 DG H2'' . 34441 1 273 . 1 . 1 29 29 DG H3' H 1 4.899 0.004 . 1 . . . . A 29 DG H3' . 34441 1 274 . 1 . 1 29 29 DG H4' H 1 4.286 0.005 . 1 . . . . A 29 DG H4' . 34441 1 275 . 1 . 1 29 29 DG H5' H 1 4.138 0.000 . 2 . . . . A 29 DG H5' . 34441 1 276 . 1 . 1 29 29 DG H5'' H 1 4.045 0.003 . 2 . . . . A 29 DG H5'' . 34441 1 277 . 1 . 1 29 29 DG H8 H 1 7.570 0.001 . 1 . . . . A 29 DG H8 . 34441 1 278 . 1 . 1 29 29 DG C8 C 13 135.346 0.000 . 1 . . . . A 29 DG C8 . 34441 1 279 . 1 . 1 30 30 DA H1' H 1 5.831 0.002 . 1 . . . . A 30 DA H1' . 34441 1 280 . 1 . 1 30 30 DA H2' H 1 2.338 0.003 . 2 . . . . A 30 DA H2' . 34441 1 281 . 1 . 1 30 30 DA H2'' H 1 2.443 0.010 . 2 . . . . A 30 DA H2'' . 34441 1 282 . 1 . 1 30 30 DA H3' H 1 4.852 0.000 . 1 . . . . A 30 DA H3' . 34441 1 283 . 1 . 1 30 30 DA H4' H 1 4.302 0.004 . 1 . . . . A 30 DA H4' . 34441 1 284 . 1 . 1 30 30 DA H5' H 1 4.232 0.003 . 2 . . . . A 30 DA H5' . 34441 1 285 . 1 . 1 30 30 DA H5'' H 1 4.061 0.002 . 2 . . . . A 30 DA H5'' . 34441 1 286 . 1 . 1 30 30 DA H8 H 1 7.931 0.002 . 1 . . . . A 30 DA H8 . 34441 1 287 . 1 . 1 30 30 DA C8 C 13 138.836 0.000 . 1 . . . . A 30 DA C8 . 34441 1 288 . 1 . 1 31 31 DG H1' H 1 6.072 0.003 . 1 . . . . A 31 DG H1' . 34441 1 289 . 1 . 1 31 31 DG H2' H 1 2.564 0.003 . 2 . . . . A 31 DG H2' . 34441 1 290 . 1 . 1 31 31 DG H2'' H 1 2.652 0.004 . 2 . . . . A 31 DG H2'' . 34441 1 291 . 1 . 1 31 31 DG H3' H 1 4.942 0.008 . 1 . . . . A 31 DG H3' . 34441 1 292 . 1 . 1 31 31 DG H4' H 1 4.171 0.000 . 1 . . . . A 31 DG H4' . 34441 1 293 . 1 . 1 31 31 DG H5' H 1 4.081 0.001 . 1 . . . . A 31 DG H5' . 34441 1 294 . 1 . 1 31 31 DG H5'' H 1 4.081 0.001 . 1 . . . . A 31 DG H5'' . 34441 1 295 . 1 . 1 31 31 DG H8 H 1 8.244 0.001 . 1 . . . . A 31 DG H8 . 34441 1 296 . 1 . 1 31 31 DG C8 C 13 139.505 0.000 . 1 . . . . A 31 DG C8 . 34441 1 297 . 1 . 1 32 32 DG H1' H 1 5.902 0.003 . 1 . . . . A 32 DG H1' . 34441 1 298 . 1 . 1 32 32 DG H2' H 1 1.874 0.003 . 2 . . . . A 32 DG H2' . 34441 1 299 . 1 . 1 32 32 DG H2'' H 1 2.161 0.002 . 2 . . . . A 32 DG H2'' . 34441 1 300 . 1 . 1 32 32 DG H4' H 1 4.032 0.004 . 1 . . . . A 32 DG H4' . 34441 1 301 . 1 . 1 32 32 DG H5' H 1 3.964 0.010 . 1 . . . . A 32 DG H5' . 34441 1 302 . 1 . 1 32 32 DG H5'' H 1 3.964 0.010 . 1 . . . . A 32 DG H5'' . 34441 1 303 . 1 . 1 32 32 DG H8 H 1 7.230 0.001 . 1 . . . . A 32 DG H8 . 34441 1 304 . 1 . 1 32 32 DG C8 C 13 136.528 0.000 . 1 . . . . A 32 DG C8 . 34441 1 stop_ save_