################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19387 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 3 '2D 1H-1H NOESY' . . . 19387 1 4 '2D 1H-1H NOESY' . . . 19387 1 14 '2D 1H-31P HSQC' . . . 19387 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 DT H1' H 1 5.884 0.007 12 1 . . . . 1 DT H1' . 19387 1 2 . 1 1 1 1 DT H2' H 1 2.097 0.004 10 1 . . . . 1 DT H2' . 19387 1 3 . 1 1 1 1 DT H2'' H 1 2.364 0.004 9 1 . . . . 1 DT H2'' . 19387 1 4 . 1 1 1 1 DT H3' H 1 4.661 0.025 12 1 . . . . 1 DT H3' . 19387 1 5 . 1 1 1 1 DT H4' H 1 4.058 0.002 8 1 . . . . 1 DT H4' . 19387 1 6 . 1 1 1 1 DT H5' H 1 3.576 0.003 6 1 . . . . 1 DT H5' . 19387 1 7 . 1 1 1 1 DT H5'' H 1 3.623 0.002 6 1 . . . . 1 DT H5'' . 19387 1 8 . 1 1 1 1 DT H6 H 1 7.332 0.005 17 1 . . . . 1 DT H6 . 19387 1 9 . 1 1 1 1 DT H71 H 1 1.534 0.002 3 2 . . . . 1 DT H71 . 19387 1 10 . 1 1 1 1 DT H72 H 1 1.534 0.002 3 2 . . . . 1 DT H72 . 19387 1 11 . 1 1 1 1 DT H73 H 1 1.534 0.002 3 2 . . . . 1 DT H73 . 19387 1 12 . 1 1 2 2 DT H1' H 1 6.262 0.004 11 1 . . . . 2 DT H1' . 19387 1 13 . 1 1 2 2 DT H2' H 1 2.405 0.003 10 1 . . . . 2 DT H2' . 19387 1 14 . 1 1 2 2 DT H2'' H 1 2.634 0.009 9 1 . . . . 2 DT H2'' . 19387 1 15 . 1 1 2 2 DT H3' H 1 4.917 0.023 13 1 . . . . 2 DT H3' . 19387 1 16 . 1 1 2 2 DT H4' H 1 4.404 0.029 9 1 . . . . 2 DT H4' . 19387 1 17 . 1 1 2 2 DT H5' H 1 4.052 0.001 5 1 . . . . 2 DT H5' . 19387 1 18 . 1 1 2 2 DT H5'' H 1 4.110 0.001 5 1 . . . . 2 DT H5'' . 19387 1 19 . 1 1 2 2 DT H6 H 1 7.593 0.002 23 1 . . . . 2 DT H6 . 19387 1 20 . 1 1 2 2 DT H71 H 1 1.756 0.001 11 2 . . . . 2 DT H71 . 19387 1 21 . 1 1 2 2 DT H72 H 1 1.756 0.001 11 2 . . . . 2 DT H72 . 19387 1 22 . 1 1 2 2 DT H73 H 1 1.756 0.001 11 2 . . . . 2 DT H73 . 19387 1 23 . 1 1 2 2 DT P P 31 -0.378 0.001 2 1 . . . . 2 DT P . 19387 1 24 . 1 1 3 3 DG H1 H 1 11.051 0.165 5 1 . . . . 3 DG H1 . 19387 1 25 . 1 1 3 3 DG H1' H 1 6.000 0.003 13 1 . . . . 3 DG H1' . 19387 1 26 . 1 1 3 3 DG H2' H 1 2.937 0.005 11 1 . . . . 3 DG H2' . 19387 1 27 . 1 1 3 3 DG H2'' H 1 3.340 0.002 11 1 . . . . 3 DG H2'' . 19387 1 28 . 1 1 3 3 DG H3' H 1 4.928 0.025 10 1 . . . . 3 DG H3' . 19387 1 29 . 1 1 3 3 DG H4' H 1 4.529 0.027 12 1 . . . . 3 DG H4' . 19387 1 30 . 1 1 3 3 DG H5' H 1 4.265 0.004 5 1 . . . . 3 DG H5' . 19387 1 31 . 1 1 3 3 DG H5'' H 1 4.321 0.003 6 1 . . . . 3 DG H5'' . 19387 1 32 . 1 1 3 3 DG H8 H 1 7.176 0.002 27 1 . . . . 3 DG H8 . 19387 1 33 . 1 1 3 3 DG H21 H 1 8.068 1.405 2 2 . . . . 3 DG H21 . 19387 1 34 . 1 1 3 3 DG H22 H 1 8.068 1.405 2 2 . . . . 3 DG H22 . 19387 1 35 . 1 1 3 3 DG P P 31 0.335 0.001 2 1 . . . . 3 DG P . 19387 1 36 . 1 1 4 4 DG H1 H 1 11.248 0.002 4 1 . . . . 4 DG H1 . 19387 1 37 . 1 1 4 4 DG H1' H 1 5.745 0.001 16 1 . . . . 4 DG H1' . 19387 1 38 . 1 1 4 4 DG H2' H 1 2.548 0.002 8 1 . . . . 4 DG H2' . 19387 1 39 . 1 1 4 4 DG H2'' H 1 2.664 0.002 7 1 . . . . 4 DG H2'' . 19387 1 40 . 1 1 4 4 DG H3' H 1 5.027 0.025 11 1 . . . . 4 DG H3' . 19387 1 41 . 1 1 4 4 DG H4' H 1 4.310 0.027 9 1 . . . . 4 DG H4' . 19387 1 42 . 1 1 4 4 DG H5' H 1 4.005 0.002 5 1 . . . . 4 DG H5' . 19387 1 43 . 1 1 4 4 DG H5'' H 1 4.096 0.003 5 1 . . . . 4 DG H5'' . 19387 1 44 . 1 1 4 4 DG H8 H 1 7.899 0.002 24 1 . . . . 4 DG H8 . 19387 1 45 . 1 1 4 4 DG P P 31 -0.635 0.007 2 1 . . . . 4 DG P . 19387 1 46 . 1 1 5 5 DG H1 H 1 10.808 0.001 6 1 . . . . 5 DG H1 . 19387 1 47 . 1 1 5 5 DG H1' H 1 6.311 0.000 9 1 . . . . 5 DG H1' . 19387 1 48 . 1 1 5 5 DG H2' H 1 2.554 0.003 6 1 . . . . 5 DG H2' . 19387 1 49 . 1 1 5 5 DG H2'' H 1 2.666 0.003 6 1 . . . . 5 DG H2'' . 19387 1 50 . 1 1 5 5 DG H3' H 1 5.060 0.026 10 1 . . . . 5 DG H3' . 19387 1 51 . 1 1 5 5 DG H4' H 1 4.158 0.028 8 1 . . . . 5 DG H4' . 19387 1 52 . 1 1 5 5 DG H8 H 1 7.770 0.000 13 1 . . . . 5 DG H8 . 19387 1 53 . 1 1 5 5 DG P P 31 -0.466 0.007 2 1 . . . . 5 DG P . 19387 1 54 . 1 1 6 6 DT H1' H 1 6.449 0.005 10 1 . . . . 6 DT H1' . 19387 1 55 . 1 1 6 6 DT H2' H 1 2.366 0.003 5 1 . . . . 6 DT H2' . 19387 1 56 . 1 1 6 6 DT H2'' H 1 2.594 0.004 5 1 . . . . 6 DT H2'' . 19387 1 57 . 1 1 6 6 DT H3' H 1 4.824 0.028 9 1 . . . . 6 DT H3' . 19387 1 58 . 1 1 6 6 DT H4' H 1 4.490 0.026 11 1 . . . . 6 DT H4' . 19387 1 59 . 1 1 6 6 DT H5' H 1 4.094 0.002 4 1 . . . . 6 DT H5' . 19387 1 60 . 1 1 6 6 DT H5'' H 1 4.279 0.004 4 1 . . . . 6 DT H5'' . 19387 1 61 . 1 1 6 6 DT H6 H 1 7.834 0.004 13 1 . . . . 6 DT H6 . 19387 1 62 . 1 1 6 6 DT H71 H 1 2.007 0.001 13 2 . . . . 6 DT H71 . 19387 1 63 . 1 1 6 6 DT H72 H 1 2.007 0.001 13 2 . . . . 6 DT H72 . 19387 1 64 . 1 1 6 6 DT H73 H 1 2.007 0.001 13 2 . . . . 6 DT H73 . 19387 1 65 . 1 1 6 6 DT P P 31 -0.181 0.001 2 1 . . . . 6 DT P . 19387 1 66 . 1 1 7 7 DT H1' H 1 6.460 0.002 7 1 . . . . 7 DT H1' . 19387 1 67 . 1 1 7 7 DT H2' H 1 2.465 0.004 7 1 . . . . 7 DT H2' . 19387 1 68 . 1 1 7 7 DT H2'' H 1 2.622 0.003 7 1 . . . . 7 DT H2'' . 19387 1 69 . 1 1 7 7 DT H3' H 1 5.008 0.025 10 1 . . . . 7 DT H3' . 19387 1 70 . 1 1 7 7 DT H4' H 1 4.411 0.029 8 1 . . . . 7 DT H4' . 19387 1 71 . 1 1 7 7 DT H6 H 1 7.844 0.005 13 1 . . . . 7 DT H6 . 19387 1 72 . 1 1 7 7 DT H71 H 1 2.116 0.001 10 2 . . . . 7 DT H71 . 19387 1 73 . 1 1 7 7 DT H72 H 1 2.116 0.001 10 2 . . . . 7 DT H72 . 19387 1 74 . 1 1 7 7 DT H73 H 1 2.116 0.001 10 2 . . . . 7 DT H73 . 19387 1 75 . 1 1 7 7 DT P P 31 -0.547 0.000 2 1 . . . . 7 DT P . 19387 1 76 . 1 1 8 8 DA H1' H 1 6.470 0.003 18 1 . . . . 8 DA H1' . 19387 1 77 . 1 1 8 8 DA H2 H 1 7.958 0.005 17 1 . . . . 8 DA H2 . 19387 1 78 . 1 1 8 8 DA H2' H 1 2.873 0.003 7 1 . . . . 8 DA H2' . 19387 1 79 . 1 1 8 8 DA H2'' H 1 3.052 0.003 7 1 . . . . 8 DA H2'' . 19387 1 80 . 1 1 8 8 DA H3' H 1 5.123 0.027 9 1 . . . . 8 DA H3' . 19387 1 81 . 1 1 8 8 DA H4' H 1 4.518 0.028 9 1 . . . . 8 DA H4' . 19387 1 82 . 1 1 8 8 DA H5' H 1 4.185 0.001 4 1 . . . . 8 DA H5' . 19387 1 83 . 1 1 8 8 DA H5'' H 1 4.283 0.002 4 1 . . . . 8 DA H5'' . 19387 1 84 . 1 1 8 8 DA H8 H 1 8.551 0.001 27 1 . . . . 8 DA H8 . 19387 1 85 . 1 1 8 8 DA P P 31 0.504 0.001 2 1 . . . . 8 DA P . 19387 1 86 . 1 1 9 9 DG H1 H 1 11.318 0.140 7 1 . . . . 9 DG H1 . 19387 1 87 . 1 1 9 9 DG H1' H 1 5.995 0.001 10 1 . . . . 9 DG H1' . 19387 1 88 . 1 1 9 9 DG H2' H 1 2.988 0.003 9 1 . . . . 9 DG H2' . 19387 1 89 . 1 1 9 9 DG H2'' H 1 3.444 0.002 9 1 . . . . 9 DG H2'' . 19387 1 90 . 1 1 9 9 DG H3' H 1 5.061 0.036 7 1 . . . . 9 DG H3' . 19387 1 91 . 1 1 9 9 DG H4' H 1 4.489 0.037 6 1 . . . . 9 DG H4' . 19387 1 92 . 1 1 9 9 DG H8 H 1 7.428 0.002 16 1 . . . . 9 DG H8 . 19387 1 93 . 1 1 9 9 DG P P 31 -0.044 0.002 2 1 . . . . 9 DG P . 19387 1 94 . 1 1 10 10 DG H1 H 1 11.803 0.001 4 1 . . . . 10 DG H1 . 19387 1 95 . 1 1 10 10 DG H1' H 1 5.656 0.001 15 1 . . . . 10 DG H1' . 19387 1 96 . 1 1 10 10 DG H2' H 1 2.626 0.003 6 2 . . . . 10 DG H2' . 19387 1 97 . 1 1 10 10 DG H2'' H 1 2.626 0.003 6 2 . . . . 10 DG H2'' . 19387 1 98 . 1 1 10 10 DG H3' H 1 5.085 0.028 8 1 . . . . 10 DG H3' . 19387 1 99 . 1 1 10 10 DG H4' H 1 4.380 0.029 8 1 . . . . 10 DG H4' . 19387 1 100 . 1 1 10 10 DG H5' H 1 4.272 0.002 4 1 . . . . 10 DG H5' . 19387 1 101 . 1 1 10 10 DG H5'' H 1 4.332 0.001 4 1 . . . . 10 DG H5'' . 19387 1 102 . 1 1 10 10 DG H8 H 1 8.057 0.001 21 1 . . . . 10 DG H8 . 19387 1 103 . 1 1 10 10 DG P P 31 -0.528 0.001 2 1 . . . . 10 DG P . 19387 1 104 . 1 1 11 11 DG H1 H 1 11.124 0.016 10 1 . . . . 11 DG H1 . 19387 1 105 . 1 1 11 11 DG H1' H 1 6.282 0.002 7 1 . . . . 11 DG H1' . 19387 1 106 . 1 1 11 11 DG H2' H 1 2.541 0.003 8 1 . . . . 11 DG H2' . 19387 1 107 . 1 1 11 11 DG H2'' H 1 2.664 0.006 9 1 . . . . 11 DG H2'' . 19387 1 108 . 1 1 11 11 DG H3' H 1 5.049 0.031 7 1 . . . . 11 DG H3' . 19387 1 109 . 1 1 11 11 DG H4' H 1 4.518 0.032 7 1 . . . . 11 DG H4' . 19387 1 110 . 1 1 11 11 DG H8 H 1 7.931 0.003 20 1 . . . . 11 DG H8 . 19387 1 111 . 1 1 11 11 DG P P 31 0.169 0.004 2 1 . . . . 11 DG P . 19387 1 112 . 1 1 12 12 DT H1' H 1 6.285 0.002 9 1 . . . . 12 DT H1' . 19387 1 113 . 1 1 12 12 DT H2' H 1 2.420 0.002 6 1 . . . . 12 DT H2' . 19387 1 114 . 1 1 12 12 DT H2'' H 1 2.506 0.006 6 1 . . . . 12 DT H2'' . 19387 1 115 . 1 1 12 12 DT H3' H 1 4.702 0.029 8 1 . . . . 12 DT H3' . 19387 1 116 . 1 1 12 12 DT H4' H 1 4.207 0.037 6 1 . . . . 12 DT H4' . 19387 1 117 . 1 1 12 12 DT H6 H 1 7.614 0.003 12 1 . . . . 12 DT H6 . 19387 1 118 . 1 1 12 12 DT H71 H 1 1.894 0.004 2 2 . . . . 12 DT H71 . 19387 1 119 . 1 1 12 12 DT H72 H 1 1.894 0.004 2 2 . . . . 12 DT H72 . 19387 1 120 . 1 1 12 12 DT H73 H 1 1.894 0.004 2 2 . . . . 12 DT H73 . 19387 1 121 . 1 1 12 12 DT P P 31 0.239 0.000 2 1 . . . . 12 DT P . 19387 1 122 . 1 1 13 13 DT H1' H 1 5.341 0.003 13 1 . . . . 13 DT H1' . 19387 1 123 . 1 1 13 13 DT H2' H 1 1.325 0.005 10 1 . . . . 13 DT H2' . 19387 1 124 . 1 1 13 13 DT H2'' H 1 2.166 0.002 10 1 . . . . 13 DT H2'' . 19387 1 125 . 1 1 13 13 DT H3' H 1 4.482 0.026 9 1 . . . . 13 DT H3' . 19387 1 126 . 1 1 13 13 DT H4' H 1 3.929 0.027 10 1 . . . . 13 DT H4' . 19387 1 127 . 1 1 13 13 DT H5' H 1 3.543 0.002 11 1 . . . . 13 DT H5' . 19387 1 128 . 1 1 13 13 DT H5'' H 1 3.859 0.002 10 1 . . . . 13 DT H5'' . 19387 1 129 . 1 1 13 13 DT H6 H 1 6.547 0.001 13 1 . . . . 13 DT H6 . 19387 1 130 . 1 1 13 13 DT H71 H 1 1.292 0.001 4 2 . . . . 13 DT H71 . 19387 1 131 . 1 1 13 13 DT H72 H 1 1.292 0.001 4 2 . . . . 13 DT H72 . 19387 1 132 . 1 1 13 13 DT H73 H 1 1.292 0.001 4 2 . . . . 13 DT H73 . 19387 1 133 . 1 1 13 13 DT P P 31 -0.104 0.001 2 1 . . . . 13 DT P . 19387 1 134 . 1 1 14 14 DA H1' H 1 6.231 0.001 9 1 . . . . 14 DA H1' . 19387 1 135 . 1 1 14 14 DA H2 H 1 7.262 0.001 10 1 . . . . 14 DA H2 . 19387 1 136 . 1 1 14 14 DA H2' H 1 2.202 0.089 7 1 . . . . 14 DA H2' . 19387 1 137 . 1 1 14 14 DA H2'' H 1 2.383 0.088 7 1 . . . . 14 DA H2'' . 19387 1 138 . 1 1 14 14 DA H3' H 1 4.623 0.030 8 1 . . . . 14 DA H3' . 19387 1 139 . 1 1 14 14 DA H4' H 1 4.096 0.028 9 1 . . . . 14 DA H4' . 19387 1 140 . 1 1 14 14 DA H5' H 1 3.468 0.002 9 2 . . . . 14 DA H5' . 19387 1 141 . 1 1 14 14 DA H5'' H 1 3.468 0.002 9 2 . . . . 14 DA H5'' . 19387 1 142 . 1 1 14 14 DA H8 H 1 7.689 0.001 19 1 . . . . 14 DA H8 . 19387 1 143 . 1 1 14 14 DA P P 31 -1.401 0.006 2 1 . . . . 14 DA P . 19387 1 144 . 1 1 15 15 DG H1 H 1 11.262 0.006 7 1 . . . . 15 DG H1 . 19387 1 145 . 1 1 15 15 DG H1' H 1 6.099 0.002 7 1 . . . . 15 DG H1' . 19387 1 146 . 1 1 15 15 DG H2' H 1 3.030 0.003 7 1 . . . . 15 DG H2' . 19387 1 147 . 1 1 15 15 DG H2'' H 1 3.559 0.002 7 1 . . . . 15 DG H2'' . 19387 1 148 . 1 1 15 15 DG H3' H 1 4.838 0.031 6 1 . . . . 15 DG H3' . 19387 1 149 . 1 1 15 15 DG H4' H 1 4.455 0.032 7 1 . . . . 15 DG H4' . 19387 1 150 . 1 1 15 15 DG H8 H 1 7.443 0.002 14 1 . . . . 15 DG H8 . 19387 1 151 . 1 1 15 15 DG P P 31 -0.196 0.001 2 1 . . . . 15 DG P . 19387 1 152 . 1 1 16 16 DG H1 H 1 11.058 0.001 5 1 . . . . 16 DG H1 . 19387 1 153 . 1 1 16 16 DG H1' H 1 5.819 0.002 9 1 . . . . 16 DG H1' . 19387 1 154 . 1 1 16 16 DG H2' H 1 2.574 0.005 5 1 . . . . 16 DG H2' . 19387 1 155 . 1 1 16 16 DG H2'' H 1 2.623 0.007 5 1 . . . . 16 DG H2'' . 19387 1 156 . 1 1 16 16 DG H3' H 1 5.012 0.026 9 1 . . . . 16 DG H3' . 19387 1 157 . 1 1 16 16 DG H4' H 1 4.242 0.032 7 1 . . . . 16 DG H4' . 19387 1 158 . 1 1 16 16 DG H8 H 1 7.399 0.004 11 1 . . . . 16 DG H8 . 19387 1 159 . 1 1 16 16 DG P P 31 -0.585 0.005 2 1 . . . . 16 DG P . 19387 1 160 . 1 1 17 17 DG H1 H 1 11.370 0.001 4 1 . . . . 17 DG H1 . 19387 1 161 . 1 1 17 17 DG H1' H 1 6.027 0.004 11 1 . . . . 17 DG H1' . 19387 1 162 . 1 1 17 17 DG H2' H 1 2.308 0.005 9 1 . . . . 17 DG H2' . 19387 1 163 . 1 1 17 17 DG H2'' H 1 2.634 0.010 6 1 . . . . 17 DG H2'' . 19387 1 164 . 1 1 17 17 DG H3' H 1 4.932 0.026 10 1 . . . . 17 DG H3' . 19387 1 165 . 1 1 17 17 DG H4' H 1 4.409 0.032 7 1 . . . . 17 DG H4' . 19387 1 166 . 1 1 17 17 DG H8 H 1 8.161 0.002 26 1 . . . . 17 DG H8 . 19387 1 167 . 1 1 17 17 DG H21 H 1 9.814 0.000 1 2 . . . . 17 DG H21 . 19387 1 168 . 1 1 17 17 DG H22 H 1 9.814 0.000 1 2 . . . . 17 DG H22 . 19387 1 169 . 1 1 17 17 DG P P 31 -1.171 0.000 2 1 . . . . 17 DG P . 19387 1 170 . 1 1 18 18 DT H1' H 1 6.287 0.003 17 1 . . . . 18 DT H1' . 19387 1 171 . 1 1 18 18 DT H2' H 1 2.301 0.003 7 1 . . . . 18 DT H2' . 19387 1 172 . 1 1 18 18 DT H2'' H 1 2.721 0.004 7 1 . . . . 18 DT H2'' . 19387 1 173 . 1 1 18 18 DT H3' H 1 4.824 0.027 8 1 . . . . 18 DT H3' . 19387 1 174 . 1 1 18 18 DT H4' H 1 4.266 0.032 7 1 . . . . 18 DT H4' . 19387 1 175 . 1 1 18 18 DT H6 H 1 7.616 0.008 17 1 . . . . 18 DT H6 . 19387 1 176 . 1 1 18 18 DT H71 H 1 1.914 0.003 6 2 . . . . 18 DT H71 . 19387 1 177 . 1 1 18 18 DT H72 H 1 1.914 0.003 6 2 . . . . 18 DT H72 . 19387 1 178 . 1 1 18 18 DT H73 H 1 1.914 0.003 6 2 . . . . 18 DT H73 . 19387 1 179 . 1 1 18 18 DT P P 31 0.230 0.001 2 1 . . . . 18 DT P . 19387 1 180 . 1 1 19 19 DT H1' H 1 5.888 0.002 22 1 . . . . 19 DT H1' . 19387 1 181 . 1 1 19 19 DT H2' H 1 1.515 0.004 13 1 . . . . 19 DT H2' . 19387 1 182 . 1 1 19 19 DT H2'' H 1 1.756 0.005 13 1 . . . . 19 DT H2'' . 19387 1 183 . 1 1 19 19 DT H3' H 1 4.741 0.024 12 1 . . . . 19 DT H3' . 19387 1 184 . 1 1 19 19 DT H4' H 1 4.161 0.030 8 1 . . . . 19 DT H4' . 19387 1 185 . 1 1 19 19 DT H5' H 1 4.011 0.005 8 1 . . . . 19 DT H5' . 19387 1 186 . 1 1 19 19 DT H5'' H 1 4.048 0.006 8 1 . . . . 19 DT H5'' . 19387 1 187 . 1 1 19 19 DT H6 H 1 7.395 0.003 23 1 . . . . 19 DT H6 . 19387 1 188 . 1 1 19 19 DT H71 H 1 1.588 0.002 5 2 . . . . 19 DT H71 . 19387 1 189 . 1 1 19 19 DT H72 H 1 1.588 0.002 5 2 . . . . 19 DT H72 . 19387 1 190 . 1 1 19 19 DT H73 H 1 1.588 0.002 5 2 . . . . 19 DT H73 . 19387 1 191 . 1 1 19 19 DT P P 31 -0.168 0.003 2 1 . . . . 19 DT P . 19387 1 192 . 1 1 20 20 DA H1' H 1 6.556 0.007 10 1 . . . . 20 DA H1' . 19387 1 193 . 1 1 20 20 DA H2 H 1 8.149 0.002 4 1 . . . . 20 DA H2 . 19387 1 194 . 1 1 20 20 DA H2' H 1 2.851 0.003 8 2 . . . . 20 DA H2' . 19387 1 195 . 1 1 20 20 DA H2'' H 1 2.851 0.003 8 2 . . . . 20 DA H2'' . 19387 1 196 . 1 1 20 20 DA H3' H 1 5.098 0.029 9 1 . . . . 20 DA H3' . 19387 1 197 . 1 1 20 20 DA H4' H 1 4.698 0.030 7 1 . . . . 20 DA H4' . 19387 1 198 . 1 1 20 20 DA H8 H 1 8.557 0.004 24 1 . . . . 20 DA H8 . 19387 1 199 . 1 1 20 20 DA P P 31 -0.432 0.000 2 1 . . . . 20 DA P . 19387 1 200 . 1 1 21 21 DG H1 H 1 11.226 0.001 7 1 . . . . 21 DG H1 . 19387 1 201 . 1 1 21 21 DG H1' H 1 6.045 0.003 10 1 . . . . 21 DG H1' . 19387 1 202 . 1 1 21 21 DG H2' H 1 3.000 0.004 9 1 . . . . 21 DG H2' . 19387 1 203 . 1 1 21 21 DG H2'' H 1 3.833 0.004 8 1 . . . . 21 DG H2'' . 19387 1 204 . 1 1 21 21 DG H3' H 1 5.057 0.029 7 1 . . . . 21 DG H3' . 19387 1 205 . 1 1 21 21 DG H4' H 1 4.525 0.030 9 1 . . . . 21 DG H4' . 19387 1 206 . 1 1 21 21 DG H8 H 1 7.367 0.004 13 1 . . . . 21 DG H8 . 19387 1 207 . 1 1 21 21 DG P P 31 -0.020 0.001 2 1 . . . . 21 DG P . 19387 1 208 . 1 1 22 22 DG H1 H 1 11.058 0.000 2 1 . . . . 22 DG H1 . 19387 1 209 . 1 1 22 22 DG H1' H 1 5.816 0.001 6 1 . . . . 22 DG H1' . 19387 1 210 . 1 1 22 22 DG H2' H 1 2.564 0.002 5 1 . . . . 22 DG H2' . 19387 1 211 . 1 1 22 22 DG H2'' H 1 2.755 0.002 8 1 . . . . 22 DG H2'' . 19387 1 212 . 1 1 22 22 DG H3' H 1 5.043 0.029 8 1 . . . . 22 DG H3' . 19387 1 213 . 1 1 22 22 DG H4' H 1 4.415 0.032 6 1 . . . . 22 DG H4' . 19387 1 214 . 1 1 22 22 DG H8 H 1 8.012 0.002 20 1 . . . . 22 DG H8 . 19387 1 215 . 1 1 22 22 DG P P 31 -0.654 0.000 2 1 . . . . 22 DG P . 19387 1 216 . 1 1 23 23 DG H1 H 1 10.484 0.001 9 1 . . . . 23 DG H1 . 19387 1 217 . 1 1 23 23 DG H1' H 1 5.824 0.003 7 1 . . . . 23 DG H1' . 19387 1 218 . 1 1 23 23 DG H2' H 1 2.174 0.002 11 1 . . . . 23 DG H2' . 19387 1 219 . 1 1 23 23 DG H2'' H 1 2.555 0.007 6 1 . . . . 23 DG H2'' . 19387 1 220 . 1 1 23 23 DG H3' H 1 4.925 0.027 10 1 . . . . 23 DG H3' . 19387 1 221 . 1 1 23 23 DG H4' H 1 4.405 0.033 6 1 . . . . 23 DG H4' . 19387 1 222 . 1 1 23 23 DG H8 H 1 7.350 0.003 16 1 . . . . 23 DG H8 . 19387 1 223 . 1 1 23 23 DG P P 31 -0.581 0.000 2 1 . . . . 23 DG P . 19387 1 224 . 1 1 24 24 DA H1' H 1 6.155 0.001 12 1 . . . . 24 DA H1' . 19387 1 225 . 1 1 24 24 DA H2 H 1 7.553 0.002 8 1 . . . . 24 DA H2 . 19387 1 226 . 1 1 24 24 DA H2' H 1 2.450 0.002 8 1 . . . . 24 DA H2' . 19387 1 227 . 1 1 24 24 DA H2'' H 1 2.720 0.004 8 1 . . . . 24 DA H2'' . 19387 1 228 . 1 1 24 24 DA H3' H 1 4.716 0.004 8 1 . . . . 24 DA H3' . 19387 1 229 . 1 1 24 24 DA H4' H 1 4.220 0.031 7 1 . . . . 24 DA H4' . 19387 1 230 . 1 1 24 24 DA H5' H 1 4.150 0.001 4 2 . . . . 24 DA H5' . 19387 1 231 . 1 1 24 24 DA H5'' H 1 4.150 0.001 4 2 . . . . 24 DA H5'' . 19387 1 232 . 1 1 24 24 DA H8 H 1 7.947 0.001 18 1 . . . . 24 DA H8 . 19387 1 233 . 1 1 24 24 DA P P 31 -0.390 0.001 2 1 . . . . 24 DA P . 19387 1 234 . 2 2 1 1 L2H HB1 H 1 2.860 0.002 7 2 . . . . 25 L2H HB1 . 19387 1 235 . 2 2 1 1 L2H HB1' H 1 2.832 0.010 6 2 . . . . 25 L2H HB1' . 19387 1 236 . 2 2 1 1 L2H HB2 H 1 2.860 0.002 7 2 . . . . 25 L2H HB2 . 19387 1 237 . 2 2 1 1 L2H HB2' H 1 2.832 0.010 6 2 . . . . 25 L2H HB2' . 19387 1 238 . 2 2 1 1 L2H HC1 H 1 1.541 0.005 10 1 . . . . 25 L2H HC1 . 19387 1 239 . 2 2 1 1 L2H HC1' H 1 1.631 0.003 12 2 . . . . 25 L2H HC1' . 19387 1 240 . 2 2 1 1 L2H HC2 H 1 1.608 0.007 9 1 . . . . 25 L2H HC2 . 19387 1 241 . 2 2 1 1 L2H HC2' H 1 1.631 0.003 12 2 . . . . 25 L2H HC2' . 19387 1 242 . 2 2 1 1 L2H HD1 H 1 0.934 0.004 11 1 . . . . 25 L2H HD1 . 19387 1 243 . 2 2 1 1 L2H HD1' H 1 0.965 0.004 9 1 . . . . 25 L2H HD1' . 19387 1 244 . 2 2 1 1 L2H HD2 H 1 1.343 0.005 11 1 . . . . 25 L2H HD2 . 19387 1 245 . 2 2 1 1 L2H HD2' H 1 1.366 0.003 9 1 . . . . 25 L2H HD2' . 19387 1 246 . 2 2 1 1 L2H HE1 H 1 1.843 0.003 8 1 . . . . 25 L2H HE1 . 19387 1 247 . 2 2 1 1 L2H HE1' H 1 1.920 0.002 7 1 . . . . 25 L2H HE1' . 19387 1 248 . 2 2 1 1 L2H HE2 H 1 2.122 0.007 7 1 . . . . 25 L2H HE2 . 19387 1 249 . 2 2 1 1 L2H HE2' H 1 1.966 0.005 7 1 . . . . 25 L2H HE2' . 19387 1 250 . 2 2 1 1 L2H HF H 1 4.845 0.002 9 1 . . . . 25 L2H HF . 19387 1 251 . 2 2 1 1 L2H HF' H 1 4.293 0.004 6 1 . . . . 25 L2H HF' . 19387 1 252 . 2 2 1 1 L2H HG H 1 7.721 0.003 4 1 . . . . 25 L2H HG . 19387 1 253 . 2 2 1 1 L2H HH H 1 7.506 0.001 7 1 . . . . 25 L2H HH . 19387 1 254 . 2 2 1 1 L2H HI H 1 8.052 0.001 17 1 . . . . 25 L2H HI . 19387 1 255 . 2 2 1 1 L2H HJ H 1 8.484 0.002 21 1 . . . . 25 L2H HJ . 19387 1 256 . 2 2 1 1 L2H HK H 1 7.795 0.001 6 1 . . . . 25 L2H HK . 19387 1 257 . 2 2 1 1 L2H HL H 1 7.845 0.001 11 1 . . . . 25 L2H HL . 19387 1 258 . 2 2 1 1 L2H HM1 H 1 2.305 0.003 5 2 . . . . 25 L2H HM1 . 19387 1 259 . 2 2 1 1 L2H HM2 H 1 2.305 0.003 5 2 . . . . 25 L2H HM2 . 19387 1 260 . 2 2 1 1 L2H HM3 H 1 2.305 0.003 5 2 . . . . 25 L2H HM3 . 19387 1 261 . 2 2 1 1 L2H HN1 H 1 2.400 0.001 13 2 . . . . 25 L2H HN1 . 19387 1 262 . 2 2 1 1 L2H HN2 H 1 2.400 0.001 13 2 . . . . 25 L2H HN2 . 19387 1 263 . 2 2 1 1 L2H HN3 H 1 2.400 0.001 13 2 . . . . 25 L2H HN3 . 19387 1 stop_ save_