################################### # 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 30577 _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' . . . 30577 1 2 '2D DQF-COSY' . . . 30577 1 3 '2D 1H-1H TOCSY' . . . 30577 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 DT H1' H 1 5.078 0.003 . . . . . . A 4 DT H1' . 30577 1 2 . 1 . 1 1 1 DT H2' H 1 1.320 0.003 . . . . . . A 4 DT H2' . 30577 1 3 . 1 . 1 1 1 DT H2'' H 1 1.594 0.002 . . . . . . A 4 DT H2'' . 30577 1 4 . 1 . 1 1 1 DT H3' H 1 3.942 0.002 . . . . . . A 4 DT H3' . 30577 1 5 . 1 . 1 1 1 DT H4' H 1 3.216 0.000 . . . . . . A 4 DT H4' . 30577 1 6 . 1 . 1 1 1 DT H5' H 1 2.985 0.002 . . . . . . A 4 DT H5' . 30577 1 7 . 1 . 1 1 1 DT H5'' H 1 3.082 0.002 . . . . . . A 4 DT H5'' . 30577 1 8 . 1 . 1 1 1 DT H6 H 1 6.309 0.000 . . . . . . A 4 DT H6 . 30577 1 9 . 1 . 1 1 1 DT H71 H 1 0.988 0.000 . . . . . . A 4 DT H71 . 30577 1 10 . 1 . 1 1 1 DT H72 H 1 0.988 0.002 . . . . . . A 4 DT H72 . 30577 1 11 . 1 . 1 1 1 DT H73 H 1 0.988 0.002 . . . . . . A 4 DT H73 . 30577 1 12 . 1 . 1 2 2 DG H1' H 1 4.958 0.002 . . . . . . A 5 DG H1' . 30577 1 13 . 1 . 1 2 2 DG H2' H 1 1.736 0.000 . . . . . . A 5 DG H2' . 30577 1 14 . 1 . 1 2 2 DG H2'' H 1 1.757 0.002 . . . . . . A 5 DG H2'' . 30577 1 15 . 1 . 1 2 2 DG H3' H 1 4.171 0.001 . . . . . . A 5 DG H3' . 30577 1 16 . 1 . 1 2 2 DG H4' H 1 3.339 0.001 . . . . . . A 5 DG H4' . 30577 1 17 . 1 . 1 2 2 DG H5' H 1 3.120 0.000 . . . . . . A 5 DG H5' . 30577 1 18 . 1 . 1 2 2 DG H5'' H 1 3.120 0.001 . . . . . . A 5 DG H5'' . 30577 1 19 . 1 . 1 2 2 DG H8 H 1 7.100 0.000 . . . . . . A 5 DG H8 . 30577 1 20 . 1 . 1 3 3 DA H1' H 1 5.662 0.000 . . . . . . A 6 DA H1' . 30577 1 21 . 1 . 1 3 3 DA H2 H 1 7.946 0.001 . . . . . . A 6 DA H2 . 30577 1 22 . 1 . 1 3 3 DA H2' H 1 2.164 0.000 . . . . . . A 6 DA H2' . 30577 1 23 . 1 . 1 3 3 DA H2'' H 1 2.389 0.001 . . . . . . A 6 DA H2'' . 30577 1 24 . 1 . 1 3 3 DA H3' H 1 4.615 0.001 . . . . . . A 6 DA H3' . 30577 1 25 . 1 . 1 3 3 DA H4' H 1 4.002 0.000 . . . . . . A 6 DA H4' . 30577 1 26 . 1 . 1 3 3 DA H5' H 1 3.895 0.002 . . . . . . A 6 DA H5' . 30577 1 27 . 1 . 1 3 3 DA H5'' H 1 3.763 0.002 . . . . . . A 6 DA H5'' . 30577 1 28 . 1 . 1 3 3 DA H8 H 1 8.025 0.000 . . . . . . A 6 DA H8 . 30577 1 29 . 1 . 1 4 4 DG H1 H 1 10.878 0.003 . . . . . . A 7 DG H1 . 30577 1 30 . 1 . 1 4 4 DG H1' H 1 5.790 0.000 . . . . . . A 7 DG H1' . 30577 1 31 . 1 . 1 4 4 DG H2' H 1 2.543 0.003 . . . . . . A 7 DG H2' . 30577 1 32 . 1 . 1 4 4 DG H2'' H 1 2.751 0.000 . . . . . . A 7 DG H2'' . 30577 1 33 . 1 . 1 4 4 DG H3' H 1 4.753 0.003 . . . . . . A 7 DG H3' . 30577 1 34 . 1 . 1 4 4 DG H4' H 1 4.241 0.003 . . . . . . A 7 DG H4' . 30577 1 35 . 1 . 1 4 4 DG H5' H 1 3.895 0.000 . . . . . . A 7 DG H5' . 30577 1 36 . 1 . 1 4 4 DG H5'' H 1 3.975 0.003 . . . . . . A 7 DG H5'' . 30577 1 37 . 1 . 1 4 4 DG H8 H 1 7.843 0.000 . . . . . . A 7 DG H8 . 30577 1 38 . 1 . 1 5 5 DG H1 H 1 10.682 0.000 . . . . . . A 8 DG H1 . 30577 1 39 . 1 . 1 5 5 DG H1' H 1 5.712 0.000 . . . . . . A 8 DG H1' . 30577 1 40 . 1 . 1 5 5 DG H2' H 1 2.117 0.002 . . . . . . A 8 DG H2' . 30577 1 41 . 1 . 1 5 5 DG H2'' H 1 2.337 0.002 . . . . . . A 8 DG H2'' . 30577 1 42 . 1 . 1 5 5 DG H3' H 1 4.384 0.001 . . . . . . A 8 DG H3' . 30577 1 43 . 1 . 1 5 5 DG H4' H 1 4.166 0.001 . . . . . . A 8 DG H4' . 30577 1 44 . 1 . 1 5 5 DG H5' H 1 3.942 0.000 . . . . . . A 8 DG H5' . 30577 1 45 . 1 . 1 5 5 DG H5'' H 1 3.989 0.000 . . . . . . A 8 DG H5'' . 30577 1 46 . 1 . 1 5 5 DG H8 H 1 7.109 0.000 . . . . . . A 8 DG H8 . 30577 1 47 . 1 . 1 6 6 DG H1 H 1 10.288 0.002 . . . . . . A 9 DG H1 . 30577 1 48 . 1 . 1 6 6 DG H1' H 1 5.831 0.000 . . . . . . A 9 DG H1' . 30577 1 49 . 1 . 1 6 6 DG H2' H 1 1.919 0.000 . . . . . . A 9 DG H2' . 30577 1 50 . 1 . 1 6 6 DG H2'' H 1 2.454 0.000 . . . . . . A 9 DG H2'' . 30577 1 51 . 1 . 1 6 6 DG H3' H 1 4.795 0.000 . . . . . . A 9 DG H3' . 30577 1 52 . 1 . 1 6 6 DG H4' H 1 4.217 0.000 . . . . . . A 9 DG H4' . 30577 1 53 . 1 . 1 6 6 DG H5' H 1 3.826 0.000 . . . . . . A 9 DG H5' . 30577 1 54 . 1 . 1 6 6 DG H5'' H 1 3.979 0.000 . . . . . . A 9 DG H5'' . 30577 1 55 . 1 . 1 6 6 DG H8 H 1 6.661 0.000 . . . . . . A 9 DG H8 . 30577 1 56 . 1 . 1 7 7 DT H1' H 1 6.234 0.002 . . . . . . A 10 DT H1' . 30577 1 57 . 1 . 1 7 7 DT H2' H 1 2.157 0.002 . . . . . . A 10 DT H2' . 30577 1 58 . 1 . 1 7 7 DT H2'' H 1 2.358 0.001 . . . . . . A 10 DT H2'' . 30577 1 59 . 1 . 1 7 7 DT H3' H 1 4.772 0.001 . . . . . . A 10 DT H3' . 30577 1 60 . 1 . 1 7 7 DT H4' H 1 4.270 0.000 . . . . . . A 10 DT H4' . 30577 1 61 . 1 . 1 7 7 DT H5' H 1 3.982 0.002 . . . . . . A 10 DT H5' . 30577 1 62 . 1 . 1 7 7 DT H5'' H 1 4.024 0.002 . . . . . . A 10 DT H5'' . 30577 1 63 . 1 . 1 7 7 DT H6 H 1 7.544 0.000 . . . . . . A 10 DT H6 . 30577 1 64 . 1 . 1 7 7 DT H71 H 1 1.695 0.000 . . . . . . A 10 DT H71 . 30577 1 65 . 1 . 1 7 7 DT H72 H 1 1.695 0.000 . . . . . . A 10 DT H72 . 30577 1 66 . 1 . 1 7 7 DT H73 H 1 1.695 0.003 . . . . . . A 10 DT H73 . 30577 1 67 . 1 . 1 8 8 DG H1 H 1 10.669 0.000 . . . . . . A 11 DG H1 . 30577 1 68 . 1 . 1 8 8 DG H1' H 1 5.451 0.000 . . . . . . A 11 DG H1' . 30577 1 69 . 1 . 1 8 8 DG H2' H 1 1.812 0.000 . . . . . . A 11 DG H2' . 30577 1 70 . 1 . 1 8 8 DG H2'' H 1 2.388 0.004 . . . . . . A 11 DG H2'' . 30577 1 71 . 1 . 1 8 8 DG H3' H 1 4.706 0.004 . . . . . . A 11 DG H3' . 30577 1 72 . 1 . 1 8 8 DG H4' H 1 4.170 0.003 . . . . . . A 11 DG H4' . 30577 1 73 . 1 . 1 8 8 DG H5' H 1 3.973 0.003 . . . . . . A 11 DG H5' . 30577 1 74 . 1 . 1 8 8 DG H5'' H 1 3.973 0.000 . . . . . . A 11 DG H5'' . 30577 1 75 . 1 . 1 8 8 DG H8 H 1 7.123 0.000 . . . . . . A 11 DG H8 . 30577 1 76 . 1 . 1 9 9 DG H1 H 1 10.652 0.000 . . . . . . A 12 DG H1 . 30577 1 77 . 1 . 1 9 9 DG H1' H 1 5.561 0.003 . . . . . . A 12 DG H1' . 30577 1 78 . 1 . 1 9 9 DG H2' H 1 2.332 0.002 . . . . . . A 12 DG H2' . 30577 1 79 . 1 . 1 9 9 DG H2'' H 1 2.114 0.002 . . . . . . A 12 DG H2'' . 30577 1 80 . 1 . 1 9 9 DG H3' H 1 4.720 0.000 . . . . . . A 12 DG H3' . 30577 1 81 . 1 . 1 9 9 DG H4' H 1 4.166 0.000 . . . . . . A 12 DG H4' . 30577 1 82 . 1 . 1 9 9 DG H5' H 1 3.897 0.000 . . . . . . A 12 DG H5' . 30577 1 83 . 1 . 1 9 9 DG H5'' H 1 3.960 0.002 . . . . . . A 12 DG H5'' . 30577 1 84 . 1 . 1 9 9 DG H8 H 1 7.237 0.002 . . . . . . A 12 DG H8 . 30577 1 85 . 1 . 1 10 10 DG H1 H 1 10.430 0.002 . . . . . . A 13 DG H1 . 30577 1 86 . 1 . 1 10 10 DG H1' H 1 6.061 0.000 . . . . . . A 13 DG H1' . 30577 1 87 . 1 . 1 10 10 DG H2' H 1 2.453 0.001 . . . . . . A 13 DG H2' . 30577 1 88 . 1 . 1 10 10 DG H2'' H 1 2.579 0.000 . . . . . . A 13 DG H2'' . 30577 1 89 . 1 . 1 10 10 DG H3' H 1 4.837 0.000 . . . . . . A 13 DG H3' . 30577 1 90 . 1 . 1 10 10 DG H4' H 1 4.160 0.001 . . . . . . A 13 DG H4' . 30577 1 91 . 1 . 1 10 10 DG H5' H 1 3.954 0.001 . . . . . . A 13 DG H5' . 30577 1 92 . 1 . 1 10 10 DG H5'' H 1 3.954 0.001 . . . . . . A 13 DG H5'' . 30577 1 93 . 1 . 1 10 10 DG H8 H 1 7.175 0.005 . . . . . . A 13 DG H8 . 30577 1 94 . 1 . 1 11 11 DT H1' H 1 5.962 0.000 . . . . . . A 14 DT H1' . 30577 1 95 . 1 . 1 11 11 DT H2' H 1 1.895 0.001 . . . . . . A 14 DT H2' . 30577 1 96 . 1 . 1 11 11 DT H2'' H 1 2.165 0.000 . . . . . . A 14 DT H2'' . 30577 1 97 . 1 . 1 11 11 DT H3' H 1 4.442 0.002 . . . . . . A 14 DT H3' . 30577 1 98 . 1 . 1 11 11 DT H4' H 1 3.587 0.002 . . . . . . A 14 DT H4' . 30577 1 99 . 1 . 1 11 11 DT H5' H 1 3.502 0.000 . . . . . . A 14 DT H5' . 30577 1 100 . 1 . 1 11 11 DT H5'' H 1 3.502 0.003 . . . . . . A 14 DT H5'' . 30577 1 101 . 1 . 1 11 11 DT H6 H 1 7.371 0.003 . . . . . . A 14 DT H6 . 30577 1 102 . 1 . 1 11 11 DT H71 H 1 1.672 0.000 . . . . . . A 14 DT H71 . 30577 1 103 . 1 . 1 11 11 DT H72 H 1 1.672 0.001 . . . . . . A 14 DT H72 . 30577 1 104 . 1 . 1 11 11 DT H73 H 1 1.672 0.001 . . . . . . A 14 DT H73 . 30577 1 105 . 1 . 1 12 12 DA H1' H 1 6.413 0.002 . . . . . . A 15 DA H1' . 30577 1 106 . 1 . 1 12 12 DA H2 H 1 8.068 0.002 . . . . . . A 15 DA H2 . 30577 1 107 . 1 . 1 12 12 DA H2' H 1 2.827 0.000 . . . . . . A 15 DA H2' . 30577 1 108 . 1 . 1 12 12 DA H2'' H 1 2.709 0.002 . . . . . . A 15 DA H2'' . 30577 1 109 . 1 . 1 12 12 DA H3' H 1 4.959 0.001 . . . . . . A 15 DA H3' . 30577 1 110 . 1 . 1 12 12 DA H4' H 1 4.344 0.001 . . . . . . A 15 DA H4' . 30577 1 111 . 1 . 1 12 12 DA H5' H 1 4.044 0.000 . . . . . . A 15 DA H5' . 30577 1 112 . 1 . 1 12 12 DA H5'' H 1 3.933 0.004 . . . . . . A 15 DA H5'' . 30577 1 113 . 1 . 1 12 12 DA H8 H 1 8.272 0.005 . . . . . . A 15 DA H8 . 30577 1 114 . 1 . 1 13 13 DG H1 H 1 10.793 0.003 . . . . . . A 16 DG H1 . 30577 1 115 . 1 . 1 13 13 DG H1' H 1 5.697 0.003 . . . . . . A 16 DG H1' . 30577 1 116 . 1 . 1 13 13 DG H2' H 1 2.206 0.004 . . . . . . A 16 DG H2' . 30577 1 117 . 1 . 1 13 13 DG H2'' H 1 2.586 0.003 . . . . . . A 16 DG H2'' . 30577 1 118 . 1 . 1 13 13 DG H3' H 1 4.761 0.003 . . . . . . A 16 DG H3' . 30577 1 119 . 1 . 1 13 13 DG H4' H 1 4.292 0.000 . . . . . . A 16 DG H4' . 30577 1 120 . 1 . 1 13 13 DG H5' H 1 4.072 0.000 . . . . . . A 16 DG H5' . 30577 1 121 . 1 . 1 13 13 DG H5'' H 1 4.095 0.002 . . . . . . A 16 DG H5'' . 30577 1 122 . 1 . 1 13 13 DG H8 H 1 7.392 0.000 . . . . . . A 16 DG H8 . 30577 1 123 . 1 . 1 14 14 DG H1 H 1 10.797 0.001 . . . . . . A 17 DG H1 . 30577 1 124 . 1 . 1 14 14 DG H1' H 1 5.753 0.001 . . . . . . A 17 DG H1' . 30577 1 125 . 1 . 1 14 14 DG H2' H 1 2.257 0.001 . . . . . . A 17 DG H2' . 30577 1 126 . 1 . 1 14 14 DG H2'' H 1 2.554 0.001 . . . . . . A 17 DG H2'' . 30577 1 127 . 1 . 1 14 14 DG H3' H 1 4.714 0.002 . . . . . . A 17 DG H3' . 30577 1 128 . 1 . 1 14 14 DG H4' H 1 4.250 0.002 . . . . . . A 17 DG H4' . 30577 1 129 . 1 . 1 14 14 DG H5' H 1 3.947 0.003 . . . . . . A 17 DG H5' . 30577 1 130 . 1 . 1 14 14 DG H5'' H 1 3.982 0.002 . . . . . . A 17 DG H5'' . 30577 1 131 . 1 . 1 14 14 DG H8 H 1 7.347 0.000 . . . . . . A 17 DG H8 . 30577 1 132 . 1 . 1 15 15 DG H1 H 1 10.766 0.001 . . . . . . A 18 DG H1 . 30577 1 133 . 1 . 1 15 15 DG H1' H 1 6.151 0.000 . . . . . . A 18 DG H1' . 30577 1 134 . 1 . 1 15 15 DG H2' H 1 2.447 0.000 . . . . . . A 18 DG H2' . 30577 1 135 . 1 . 1 15 15 DG H2'' H 1 2.333 0.003 . . . . . . A 18 DG H2'' . 30577 1 136 . 1 . 1 15 15 DG H3' H 1 4.915 0.003 . . . . . . A 18 DG H3' . 30577 1 137 . 1 . 1 15 15 DG H4' H 1 4.314 0.003 . . . . . . A 18 DG H4' . 30577 1 138 . 1 . 1 15 15 DG H5' H 1 4.019 0.000 . . . . . . A 18 DG H5' . 30577 1 139 . 1 . 1 15 15 DG H5'' H 1 4.091 0.003 . . . . . . A 18 DG H5'' . 30577 1 140 . 1 . 1 15 15 DG H8 H 1 7.238 0.000 . . . . . . A 18 DG H8 . 30577 1 141 . 1 . 1 16 16 DT H1' H 1 6.263 0.002 . . . . . . A 19 DT H1' . 30577 1 142 . 1 . 1 16 16 DT H2' H 1 2.189 0.002 . . . . . . A 19 DT H2' . 30577 1 143 . 1 . 1 16 16 DT H2'' H 1 2.401 0.002 . . . . . . A 19 DT H2'' . 30577 1 144 . 1 . 1 16 16 DT H3' H 1 4.813 0.002 . . . . . . A 19 DT H3' . 30577 1 145 . 1 . 1 16 16 DT H4' H 1 4.299 0.000 . . . . . . A 19 DT H4' . 30577 1 146 . 1 . 1 16 16 DT H5' H 1 3.967 0.002 . . . . . . A 19 DT H5' . 30577 1 147 . 1 . 1 16 16 DT H5'' H 1 4.040 0.000 . . . . . . A 19 DT H5'' . 30577 1 148 . 1 . 1 16 16 DT H6 H 1 7.573 0.000 . . . . . . A 19 DT H6 . 30577 1 149 . 1 . 1 16 16 DT H71 H 1 1.703 0.002 . . . . . . A 19 DT H71 . 30577 1 150 . 1 . 1 16 16 DT H72 H 1 1.703 0.002 . . . . . . A 19 DT H72 . 30577 1 151 . 1 . 1 16 16 DT H73 H 1 1.703 0.000 . . . . . . A 19 DT H73 . 30577 1 152 . 1 . 1 17 17 DG H1 H 1 11.355 0.005 . . . . . . A 20 DG H1 . 30577 1 153 . 1 . 1 17 17 DG H1' H 1 5.618 0.001 . . . . . . A 20 DG H1' . 30577 1 154 . 1 . 1 17 17 DG H2' H 1 2.038 0.001 . . . . . . A 20 DG H2' . 30577 1 155 . 1 . 1 17 17 DG H2'' H 1 2.494 0.001 . . . . . . A 20 DG H2'' . 30577 1 156 . 1 . 1 17 17 DG H3' H 1 4.903 0.000 . . . . . . A 20 DG H3' . 30577 1 157 . 1 . 1 17 17 DG H5' H 1 4.020 0.000 . . . . . . A 20 DG H5' . 30577 1 158 . 1 . 1 17 17 DG H5'' H 1 4.132 0.000 . . . . . . A 20 DG H5'' . 30577 1 159 . 1 . 1 17 17 DG H8 H 1 7.433 0.001 . . . . . . A 20 DG H8 . 30577 1 160 . 1 . 1 18 18 DG H1 H 1 11.212 0.001 . . . . . . A 21 DG H1 . 30577 1 161 . 1 . 1 18 18 DG H1' H 1 5.619 0.002 . . . . . . A 21 DG H1' . 30577 1 162 . 1 . 1 18 18 DG H2' H 1 2.356 0.001 . . . . . . A 21 DG H2' . 30577 1 163 . 1 . 1 18 18 DG H2'' H 1 2.489 0.002 . . . . . . A 21 DG H2'' . 30577 1 164 . 1 . 1 18 18 DG H3' H 1 4.835 0.003 . . . . . . A 21 DG H3' . 30577 1 165 . 1 . 1 18 18 DG H4' H 1 4.270 0.003 . . . . . . A 21 DG H4' . 30577 1 166 . 1 . 1 18 18 DG H5' H 1 3.899 0.002 . . . . . . A 21 DG H5' . 30577 1 167 . 1 . 1 18 18 DG H5'' H 1 4.011 0.002 . . . . . . A 21 DG H5'' . 30577 1 168 . 1 . 1 18 18 DG H8 H 1 7.649 0.001 . . . . . . A 21 DG H8 . 30577 1 169 . 1 . 1 19 19 DG H1 H 1 10.790 0.005 . . . . . . A 22 DG H1 . 30577 1 170 . 1 . 1 19 19 DG H1' H 1 5.896 0.001 . . . . . . A 22 DG H1' . 30577 1 171 . 1 . 1 19 19 DG H2' H 1 2.314 0.003 . . . . . . A 22 DG H2' . 30577 1 172 . 1 . 1 19 19 DG H2'' H 1 2.471 0.004 . . . . . . A 22 DG H2'' . 30577 1 173 . 1 . 1 19 19 DG H3' H 1 4.487 0.004 . . . . . . A 22 DG H3' . 30577 1 174 . 1 . 1 19 19 DG H4' H 1 4.245 0.003 . . . . . . A 22 DG H4' . 30577 1 175 . 1 . 1 19 19 DG H5' H 1 3.689 0.004 . . . . . . A 22 DG H5' . 30577 1 176 . 1 . 1 19 19 DG H8 H 1 7.422 0.004 . . . . . . A 22 DG H8 . 30577 1 177 . 1 . 1 20 20 DT H1' H 1 5.341 0.000 . . . . . . A 23 DT H1' . 30577 1 178 . 1 . 1 20 20 DT H2' H 1 1.029 0.003 . . . . . . A 23 DT H2' . 30577 1 179 . 1 . 1 20 20 DT H2'' H 1 1.635 0.003 . . . . . . A 23 DT H2'' . 30577 1 180 . 1 . 1 20 20 DT H3' H 1 4.481 0.003 . . . . . . A 23 DT H3' . 30577 1 181 . 1 . 1 20 20 DT H4' H 1 4.220 0.003 . . . . . . A 23 DT H4' . 30577 1 182 . 1 . 1 20 20 DT H5' H 1 3.670 0.002 . . . . . . A 23 DT H5' . 30577 1 183 . 1 . 1 20 20 DT H5'' H 1 3.670 0.002 . . . . . . A 23 DT H5'' . 30577 1 184 . 1 . 1 20 20 DT H6 H 1 6.459 0.002 . . . . . . A 23 DT H6 . 30577 1 185 . 1 . 1 20 20 DT H71 H 1 1.236 0.004 . . . . . . A 23 DT H71 . 30577 1 186 . 1 . 1 20 20 DT H72 H 1 1.236 0.004 . . . . . . A 23 DT H72 . 30577 1 187 . 1 . 1 20 20 DT H73 H 1 1.236 0.004 . . . . . . A 23 DT H73 . 30577 1 188 . 1 . 1 21 21 DA H1' H 1 5.386 0.000 . . . . . . A 24 DA H1' . 30577 1 189 . 1 . 1 21 21 DA H2' H 1 1.386 0.002 . . . . . . A 24 DA H2' . 30577 1 190 . 1 . 1 21 21 DA H2'' H 1 1.772 0.001 . . . . . . A 24 DA H2'' . 30577 1 191 . 1 . 1 21 21 DA H3' H 1 4.179 0.001 . . . . . . A 24 DA H3' . 30577 1 192 . 1 . 1 21 21 DA H4' H 1 4.020 0.002 . . . . . . A 24 DA H4' . 30577 1 193 . 1 . 1 21 21 DA H5' H 1 3.192 0.001 . . . . . . A 24 DA H5' . 30577 1 194 . 1 . 1 21 21 DA H5'' H 1 3.192 0.000 . . . . . . A 24 DA H5'' . 30577 1 195 . 1 . 1 21 21 DA H8 H 1 6.929 0.002 . . . . . . A 24 DA H8 . 30577 1 196 . 1 . 1 22 22 DA H1' H 1 5.363 0.002 . . . . . . A 25 DA H1' . 30577 1 197 . 1 . 1 22 22 DA H2' H 1 1.667 0.003 . . . . . . A 25 DA H2' . 30577 1 198 . 1 . 1 22 22 DA H2'' H 1 1.460 0.003 . . . . . . A 25 DA H2'' . 30577 1 199 . 1 . 1 22 22 DA H3' H 1 4.426 0.001 . . . . . . A 25 DA H3' . 30577 1 200 . 1 . 1 22 22 DA H4' H 1 3.966 0.002 . . . . . . A 25 DA H4' . 30577 1 201 . 1 . 1 22 22 DA H5' H 1 3.886 0.002 . . . . . . A 25 DA H5' . 30577 1 202 . 1 . 1 22 22 DA H5'' H 1 3.886 0.001 . . . . . . A 25 DA H5'' . 30577 1 203 . 1 . 1 22 22 DA H8 H 1 6.980 0.001 . . . . . . A 25 DA H8 . 30577 1 204 . 2 . 2 1 1 BO6 H1 H 1 9.897 0.003 . . . . . . A 101 BO6 H1 . 30577 1 205 . 2 . 2 1 1 BO6 H6 H 1 7.818 0.000 . . . . . . A 101 BO6 H6 . 30577 1 206 . 2 . 2 1 1 BO6 H8 H 1 6.967 0.002 . . . . . . A 101 BO6 H8 . 30577 1 207 . 2 . 2 1 1 BO6 H9 H 1 6.783 0.003 . . . . . . A 101 BO6 H9 . 30577 1 208 . 2 . 2 1 1 BO6 H10 H 1 7.947 0.011 . . . . . . A 101 BO6 H10 . 30577 1 209 . 2 . 2 1 1 BO6 H12 H 1 7.124 0.012 . . . . . . A 101 BO6 H12 . 30577 1 210 . 2 . 2 1 1 BO6 H13 H 1 6.975 0.012 . . . . . . A 101 BO6 H13 . 30577 1 211 . 2 . 2 1 1 BO6 H3 H 1 6.491 0.007 . . . . . . A 101 BO6 H3 . 30577 1 212 . 2 . 2 1 1 BO6 H2 H 1 7.136 0.004 . . . . . . A 101 BO6 H2 . 30577 1 213 . 2 . 2 1 1 BO6 H17 H 1 7.44 0.000 . . . . . . A 101 BO6 H17 . 30577 1 214 . 2 . 2 1 1 BO6 H18 H 1 7.868 0.011 . . . . . . A 101 BO6 H18 . 30577 1 215 . 2 . 2 1 1 BO6 H20 H 1 7.868 0.007 . . . . . . A 101 BO6 H20 . 30577 1 216 . 2 . 2 1 1 BO6 H21 H 1 7.44 0.004 . . . . . . A 101 BO6 H21 . 30577 1 217 . 2 . 2 1 1 BO6 H22 H 1 6.707 0.001 . . . . . . A 101 BO6 H22 . 30577 1 218 . 2 . 2 1 1 BO6 H23 H 1 7.389 0.000 . . . . . . A 101 BO6 H23 . 30577 1 219 . 2 . 2 1 1 BO6 H25 H 1 7.561 0.000 . . . . . . A 101 BO6 H25 . 30577 1 220 . 2 . 2 1 1 BO6 H26 H 1 8.124 0.002 . . . . . . A 101 BO6 H26 . 30577 1 221 . 2 . 2 1 1 BO6 H28 H 1 8.124 0.000 . . . . . . A 101 BO6 H28 . 30577 1 222 . 2 . 2 1 1 BO6 H29 H 1 7.561 0.000 . . . . . . A 101 BO6 H29 . 30577 1 223 . 2 . 2 1 1 BO6 H30 H 1 3.948 0.000 . . . . . . A 101 BO6 H30 . 30577 1 224 . 2 . 2 1 1 BO6 H9L H 1 3.948 0.000 . . . . . . A 101 BO6 H9L . 30577 1 225 . 2 . 2 1 1 BO6 H9M H 1 3.948 0.000 . . . . . . A 101 BO6 H9M . 30577 1 226 . 2 . 2 1 1 BO6 H31 H 1 3.825 0.000 . . . . . . A 101 BO6 H31 . 30577 1 227 . 2 . 2 1 1 BO6 H9O H 1 3.825 0.000 . . . . . . A 101 BO6 H9O . 30577 1 228 . 2 . 2 1 1 BO6 H9N H 1 3.825 0.000 . . . . . . A 101 BO6 H9N . 30577 1 229 . 3 . 2 1 1 BO6 H1 H 1 9.897 0.003 . . . . . . A 102 BO6 H1 . 30577 1 230 . 3 . 2 1 1 BO6 H6 H 1 7.818 0.000 . . . . . . A 102 BO6 H6 . 30577 1 231 . 3 . 2 1 1 BO6 H8 H 1 6.967 0.002 . . . . . . A 102 BO6 H8 . 30577 1 232 . 3 . 2 1 1 BO6 H9 H 1 6.783 0.003 . . . . . . A 102 BO6 H9 . 30577 1 233 . 3 . 2 1 1 BO6 H10 H 1 7.947 0.011 . . . . . . A 102 BO6 H10 . 30577 1 234 . 3 . 2 1 1 BO6 H12 H 1 7.124 0.012 . . . . . . A 102 BO6 H12 . 30577 1 235 . 3 . 2 1 1 BO6 H13 H 1 6.975 0.012 . . . . . . A 102 BO6 H13 . 30577 1 236 . 3 . 2 1 1 BO6 H3 H 1 6.491 0.007 . . . . . . A 102 BO6 H3 . 30577 1 237 . 3 . 2 1 1 BO6 H2 H 1 7.136 0.004 . . . . . . A 102 BO6 H2 . 30577 1 238 . 3 . 2 1 1 BO6 H17 H 1 7.44 0.000 . . . . . . A 102 BO6 H17 . 30577 1 239 . 3 . 2 1 1 BO6 H18 H 1 7.868 0.011 . . . . . . A 102 BO6 H18 . 30577 1 240 . 3 . 2 1 1 BO6 H20 H 1 7.868 0.007 . . . . . . A 102 BO6 H20 . 30577 1 241 . 3 . 2 1 1 BO6 H21 H 1 7.44 0.004 . . . . . . A 102 BO6 H21 . 30577 1 242 . 3 . 2 1 1 BO6 H22 H 1 6.707 0.001 . . . . . . A 102 BO6 H22 . 30577 1 243 . 3 . 2 1 1 BO6 H23 H 1 7.389 0.000 . . . . . . A 102 BO6 H23 . 30577 1 244 . 3 . 2 1 1 BO6 H25 H 1 7.561 0.000 . . . . . . A 102 BO6 H25 . 30577 1 245 . 3 . 2 1 1 BO6 H26 H 1 8.124 0.002 . . . . . . A 102 BO6 H26 . 30577 1 246 . 3 . 2 1 1 BO6 H28 H 1 8.124 0.000 . . . . . . A 102 BO6 H28 . 30577 1 247 . 3 . 2 1 1 BO6 H29 H 1 7.561 0.001 . . . . . . A 102 BO6 H29 . 30577 1 248 . 3 . 2 1 1 BO6 H30 H 1 3.948 0.002 . . . . . . A 102 BO6 H30 . 30577 1 249 . 3 . 2 1 1 BO6 H9L H 1 3.948 0.000 . . . . . . A 102 BO6 H9L . 30577 1 250 . 3 . 2 1 1 BO6 H9M H 1 3.948 0.003 . . . . . . A 102 BO6 H9M . 30577 1 251 . 3 . 2 1 1 BO6 H31 H 1 3.825 0.003 . . . . . . A 102 BO6 H31 . 30577 1 252 . 3 . 2 1 1 BO6 H9O H 1 3.825 0.001 . . . . . . A 102 BO6 H9O . 30577 1 253 . 3 . 2 1 1 BO6 H9N H 1 3.825 0.002 . . . . . . A 102 BO6 H9N . 30577 1 stop_ save_