################################### # 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 34397 _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' . . . 34397 1 2 '2D 1H-1H TOCSY' . . . 34397 1 3 '2D DQF-COSY' . . . 34397 1 4 '2D 1H-1H NOESY' . . . 34397 1 5 '2D 1H-31P COSY' . . . 34397 1 6 '1D 31P' . . . 34397 1 7 '2D 1H-1H NOESY' . . . 34397 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 34397 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 DCZ H1' H 1 5.760 0.003 . . . . . . A 1 DCZ H1' . 34397 1 2 . 1 1 1 1 DCZ H2'1 H 1 1.850 0.003 . . . . . . A 1 DCZ H2'1 . 34397 1 3 . 1 1 1 1 DCZ H2'2 H 1 2.365 0.003 . . . . . . A 1 DCZ H2'2 . 34397 1 4 . 1 1 1 1 DCZ H3' H 1 4.707 0.003 . . . . . . A 1 DCZ H3' . 34397 1 5 . 1 1 1 1 DCZ H4' H 1 4.060 0.003 . . . . . . A 1 DCZ H4' . 34397 1 6 . 1 1 1 1 DCZ H5 H 1 5.876 0.000 . . . . . . A 1 DCZ H5 . 34397 1 7 . 1 1 1 1 DCZ H5'1 H 1 3.697 0.000 . . . . . . A 1 DCZ H5'1 . 34397 1 8 . 1 1 1 1 DCZ H6 H 1 7.583 0.001 . . . . . . A 1 DCZ H6 . 34397 1 9 . 1 1 2 2 DG H1 H 1 12.880 0.005 . . . . . . A 2 DG H1 . 34397 1 10 . 1 1 2 2 DG H1' H 1 5.433 0.002 . . . . . . A 2 DG H1' . 34397 1 11 . 1 1 2 2 DG H2' H 1 2.766 0.000 . . . . . . A 2 DG H2' . 34397 1 12 . 1 1 2 2 DG H2'' H 1 2.857 0.001 . . . . . . A 2 DG H2'' . 34397 1 13 . 1 1 2 2 DG H3' H 1 5.032 0.002 . . . . . . A 2 DG H3' . 34397 1 14 . 1 1 2 2 DG H4' H 1 4.319 0.004 . . . . . . A 2 DG H4' . 34397 1 15 . 1 1 2 2 DG H5' H 1 3.976 0.000 . . . . . . A 2 DG H5' . 34397 1 16 . 1 1 2 2 DG H5'' H 1 4.096 0.000 . . . . . . A 2 DG H5'' . 34397 1 17 . 1 1 2 2 DG H8 H 1 8.018 0.001 . . . . . . A 2 DG H8 . 34397 1 18 . 1 1 3 3 DA H1' H 1 6.351 0.002 . . . . . . A 3 DA H1' . 34397 1 19 . 1 1 3 3 DA H2 H 1 7.961 0.002 . . . . . . A 3 DA H2 . 34397 1 20 . 1 1 3 3 DA H2' H 1 2.827 0.003 . . . . . . A 3 DA H2' . 34397 1 21 . 1 1 3 3 DA H2'' H 1 3.009 0.001 . . . . . . A 3 DA H2'' . 34397 1 22 . 1 1 3 3 DA H3' H 1 5.132 0.002 . . . . . . A 3 DA H3' . 34397 1 23 . 1 1 3 3 DA H4' H 1 4.517 0.003 . . . . . . A 3 DA H4' . 34397 1 24 . 1 1 3 3 DA H5' H 1 4.210 0.004 . . . . . . A 3 DA H5' . 34397 1 25 . 1 1 3 3 DA H5'' H 1 4.261 0.000 . . . . . . A 3 DA H5'' . 34397 1 26 . 1 1 3 3 DA H8 H 1 8.437 0.001 . . . . . . A 3 DA H8 . 34397 1 27 . 1 1 4 4 DT H1' H 1 5.713 0.003 . . . . . . A 4 DT H1' . 34397 1 28 . 1 1 4 4 DT H2' H 1 2.499 0.003 . . . . . . A 4 DT H2' . 34397 1 29 . 1 1 4 4 DT H2'' H 1 2.582 0.002 . . . . . . A 4 DT H2'' . 34397 1 30 . 1 1 4 4 DT H3 H 1 13.728 0.002 . . . . . . A 4 DT H3 . 34397 1 31 . 1 1 4 4 DT H3' H 1 5.033 0.002 . . . . . . A 4 DT H3' . 34397 1 32 . 1 1 4 4 DT H4' H 1 4.258 0.003 . . . . . . A 4 DT H4' . 34397 1 33 . 1 1 4 4 DT H6 H 1 7.418 0.003 . . . . . . A 4 DT H6 . 34397 1 34 . 1 1 4 4 DT H71 H 1 1.549 0.002 . . . . . . A 4 DT H71 . 34397 1 35 . 1 1 4 4 DT H72 H 1 1.549 0.002 . . . . . . A 4 DT H72 . 34397 1 36 . 1 1 4 4 DT H73 H 1 1.549 0.002 . . . . . . A 4 DT H73 . 34397 1 37 . 1 1 5 5 DG H1 H 1 12.287 0.002 . . . . . . A 5 DG H1 . 34397 1 38 . 1 1 5 5 DG H1' H 1 5.974 0.002 . . . . . . A 5 DG H1' . 34397 1 39 . 1 1 5 5 DG H2' H 1 2.584 0.004 . . . . . . A 5 DG H2' . 34397 1 40 . 1 1 5 5 DG H2'' H 1 2.619 0.000 . . . . . . A 5 DG H2'' . 34397 1 41 . 1 1 5 5 DG H3' H 1 5.015 0.003 . . . . . . A 5 DG H3' . 34397 1 42 . 1 1 5 5 DG H4' H 1 4.209 0.001 . . . . . . A 5 DG H4' . 34397 1 43 . 1 1 5 5 DG H5' H 1 3.616 0.000 . . . . . . A 5 DG H5' . 34397 1 44 . 1 1 5 5 DG H5'' H 1 3.748 0.002 . . . . . . A 5 DG H5'' . 34397 1 45 . 1 1 5 5 DG H8 H 1 7.961 0.001 . . . . . . A 5 DG H8 . 34397 1 46 . 1 1 5 5 DG H21 H 1 8.086 0.000 . . . . . . A 5 DG H21 . 34397 1 47 . 1 1 5 5 DG H22 H 1 7.842 0.000 . . . . . . A 5 DG H22 . 34397 1 48 . 1 1 6 6 DT H1' H 1 4.979 0.004 . . . . . . A 6 DT H1' . 34397 1 49 . 1 1 6 6 DT H2' H 1 1.690 0.001 . . . . . . A 6 DT H2' . 34397 1 50 . 1 1 6 6 DT H3 H 1 12.562 0.003 . . . . . . A 6 DT H3 . 34397 1 51 . 1 1 6 6 DT H3' H 1 4.557 0.002 . . . . . . A 6 DT H3' . 34397 1 52 . 1 1 6 6 DT H4' H 1 2.143 0.005 . . . . . . A 6 DT H4' . 34397 1 53 . 1 1 6 6 DT H5' H 1 3.387 0.002 . . . . . . A 6 DT H5' . 34397 1 54 . 1 1 6 6 DT H6 H 1 6.965 0.002 . . . . . . A 6 DT H6 . 34397 1 55 . 1 1 6 6 DT H71 H 1 1.311 0.002 . . . . . . A 6 DT H71 . 34397 1 56 . 1 1 6 6 DT H72 H 1 1.311 0.002 . . . . . . A 6 DT H72 . 34397 1 57 . 1 1 6 6 DT H73 H 1 1.311 0.002 . . . . . . A 6 DT H73 . 34397 1 58 . 1 1 7 7 DA H1' H 1 5.527 0.003 . . . . . . A 7 DA H1' . 34397 1 59 . 1 1 7 7 DA H2 H 1 8.042 0.003 . . . . . . A 7 DA H2 . 34397 1 60 . 1 1 7 7 DA H2' H 1 2.185 0.002 . . . . . . A 7 DA H2' . 34397 1 61 . 1 1 7 7 DA H2'' H 1 2.672 0.006 . . . . . . A 7 DA H2'' . 34397 1 62 . 1 1 7 7 DA H3' H 1 4.663 0.004 . . . . . . A 7 DA H3' . 34397 1 63 . 1 1 7 7 DA H4' H 1 2.490 0.000 . . . . . . A 7 DA H4' . 34397 1 64 . 1 1 7 7 DA H5' H 1 3.389 0.000 . . . . . . A 7 DA H5' . 34397 1 65 . 1 1 7 7 DA H8 H 1 8.116 0.002 . . . . . . A 7 DA H8 . 34397 1 66 . 1 1 8 8 DC H1' H 1 5.261 0.004 . . . . . . A 8 DC H1' . 34397 1 67 . 1 1 8 8 DC H2' H 1 2.162 0.301 . . . . . . A 8 DC H2' . 34397 1 68 . 1 1 8 8 DC H2'' H 1 2.185 0.001 . . . . . . A 8 DC H2'' . 34397 1 69 . 1 1 8 8 DC H3' H 1 4.518 0.003 . . . . . . A 8 DC H3' . 34397 1 70 . 1 1 8 8 DC H4' H 1 1.945 0.005 . . . . . . A 8 DC H4' . 34397 1 71 . 1 1 8 8 DC H5 H 1 5.245 0.003 . . . . . . A 8 DC H5 . 34397 1 72 . 1 1 8 8 DC H6 H 1 6.830 0.001 . . . . . . A 8 DC H6 . 34397 1 73 . 1 1 8 8 DC H41 H 1 6.348 0.002 . . . . . . A 8 DC H41 . 34397 1 74 . 1 1 8 8 DC H42 H 1 8.702 0.001 . . . . . . A 8 DC H42 . 34397 1 75 . 1 1 9 9 DA H1' H 1 5.522 0.002 . . . . . . A 9 DA H1' . 34397 1 76 . 1 1 9 9 DA H2 H 1 7.743 0.001 . . . . . . A 9 DA H2 . 34397 1 77 . 1 1 9 9 DA H2'' H 1 2.577 0.000 . . . . . . A 9 DA H2'' . 34397 1 78 . 1 1 9 9 DA H3' H 1 4.646 0.003 . . . . . . A 9 DA H3' . 34397 1 79 . 1 1 9 9 DA H4' H 1 2.552 0.005 . . . . . . A 9 DA H4' . 34397 1 80 . 1 1 9 9 DA H5' H 1 3.425 0.000 . . . . . . A 9 DA H5' . 34397 1 81 . 1 1 9 9 DA H5'' H 1 3.582 0.005 . . . . . . A 9 DA H5'' . 34397 1 82 . 1 1 9 9 DA H8 H 1 8.317 0.001 . . . . . . A 9 DA H8 . 34397 1 83 . 1 1 10 10 DT H1' H 1 5.702 0.004 . . . . . . A 10 DT H1' . 34397 1 84 . 1 1 10 10 DT H2' H 1 1.886 0.001 . . . . . . A 10 DT H2' . 34397 1 85 . 1 1 10 10 DT H2'' H 1 2.244 0.001 . . . . . . A 10 DT H2'' . 34397 1 86 . 1 1 10 10 DT H3 H 1 13.600 0.001 . . . . . . A 10 DT H3 . 34397 1 87 . 1 1 10 10 DT H3' H 1 4.776 0.002 . . . . . . A 10 DT H3' . 34397 1 88 . 1 1 10 10 DT H4' H 1 3.916 0.001 . . . . . . A 10 DT H4' . 34397 1 89 . 1 1 10 10 DT H6 H 1 6.999 0.003 . . . . . . A 10 DT H6 . 34397 1 90 . 1 1 10 10 DT H71 H 1 1.412 0.002 . . . . . . A 10 DT H71 . 34397 1 91 . 1 1 10 10 DT H72 H 1 1.412 0.002 . . . . . . A 10 DT H72 . 34397 1 92 . 1 1 10 10 DT H73 H 1 1.412 0.002 . . . . . . A 10 DT H73 . 34397 1 93 . 1 1 11 11 DC H1' H 1 5.686 0.001 . . . . . . A 11 DC H1' . 34397 1 94 . 1 1 11 11 DC H2' H 1 2.011 0.001 . . . . . . A 11 DC H2' . 34397 1 95 . 1 1 11 11 DC H2'' H 1 2.351 0.002 . . . . . . A 11 DC H2'' . 34397 1 96 . 1 1 11 11 DC H3' H 1 4.819 0.001 . . . . . . A 11 DC H3' . 34397 1 97 . 1 1 11 11 DC H4' H 1 4.120 0.002 . . . . . . A 11 DC H4' . 34397 1 98 . 1 1 11 11 DC H5 H 1 5.627 0.002 . . . . . . A 11 DC H5 . 34397 1 99 . 1 1 11 11 DC H6 H 1 7.436 0.001 . . . . . . A 11 DC H6 . 34397 1 100 . 1 1 11 11 DC H41 H 1 6.933 0.002 . . . . . . A 11 DC H41 . 34397 1 101 . 1 1 11 11 DC H42 H 1 8.559 0.001 . . . . . . A 11 DC H42 . 34397 1 102 . 1 1 12 12 DG H1' H 1 6.142 0.002 . . . . . . A 12 DG H1' . 34397 1 103 . 1 1 12 12 DG H2' H 1 2.354 0.001 . . . . . . A 12 DG H2' . 34397 1 104 . 1 1 12 12 DG H2'' H 1 2.589 0.001 . . . . . . A 12 DG H2'' . 34397 1 105 . 1 1 12 12 DG H3' H 1 4.673 0.003 . . . . . . A 12 DG H3' . 34397 1 106 . 1 1 12 12 DG H4' H 1 4.177 0.002 . . . . . . A 12 DG H4' . 34397 1 107 . 1 1 12 12 DG H8 H 1 7.925 0.001 . . . . . . A 12 DG H8 . 34397 1 108 . 2 1 1 1 DCZ H1' H 1 5.733 0.003 . . . . . . B 13 DCZ H1' . 34397 1 109 . 2 1 1 1 DCZ H2'1 H 1 1.938 0.004 . . . . . . B 13 DCZ H2'1 . 34397 1 110 . 2 1 1 1 DCZ H2'2 H 1 2.412 0.002 . . . . . . B 13 DCZ H2'2 . 34397 1 111 . 2 1 1 1 DCZ H3' H 1 4.714 0.002 . . . . . . B 13 DCZ H3' . 34397 1 112 . 2 1 1 1 DCZ H4' H 1 4.060 0.002 . . . . . . B 13 DCZ H4' . 34397 1 113 . 2 1 1 1 DCZ H5 H 1 5.895 0.001 . . . . . . B 13 DCZ H5 . 34397 1 114 . 2 1 1 1 DCZ H5'1 H 1 3.699 0.000 . . . . . . B 13 DCZ H5'1 . 34397 1 115 . 2 1 1 1 DCZ H5'2 H 1 3.723 0.001 . . . . . . B 13 DCZ H5'2 . 34397 1 116 . 2 1 1 1 DCZ H6 H 1 7.630 0.002 . . . . . . B 13 DCZ H6 . 34397 1 117 . 2 1 2 2 DG H1 H 1 12.808 0.000 . . . . . . B 14 DG H1 . 34397 1 118 . 2 1 2 2 DG H1' H 1 5.618 0.001 . . . . . . B 14 DG H1' . 34397 1 119 . 2 1 2 2 DG H2' H 1 2.762 0.002 . . . . . . B 14 DG H2' . 34397 1 120 . 2 1 2 2 DG H2'' H 1 2.878 0.002 . . . . . . B 14 DG H2'' . 34397 1 121 . 2 1 2 2 DG H3' H 1 5.036 0.002 . . . . . . B 14 DG H3' . 34397 1 122 . 2 1 2 2 DG H4' H 1 4.352 0.002 . . . . . . B 14 DG H4' . 34397 1 123 . 2 1 2 2 DG H5' H 1 3.994 0.000 . . . . . . B 14 DG H5' . 34397 1 124 . 2 1 2 2 DG H5'' H 1 4.109 0.000 . . . . . . B 14 DG H5'' . 34397 1 125 . 2 1 2 2 DG H8 H 1 7.999 0.001 . . . . . . B 14 DG H8 . 34397 1 126 . 2 1 3 3 DA H1' H 1 6.322 0.003 . . . . . . B 15 DA H1' . 34397 1 127 . 2 1 3 3 DA H2 H 1 7.888 0.001 . . . . . . B 15 DA H2 . 34397 1 128 . 2 1 3 3 DA H2' H 1 2.704 0.003 . . . . . . B 15 DA H2' . 34397 1 129 . 2 1 3 3 DA H2'' H 1 2.972 0.004 . . . . . . B 15 DA H2'' . 34397 1 130 . 2 1 3 3 DA H3' H 1 5.101 0.002 . . . . . . B 15 DA H3' . 34397 1 131 . 2 1 3 3 DA H4' H 1 4.504 0.001 . . . . . . B 15 DA H4' . 34397 1 132 . 2 1 3 3 DA H5' H 1 4.222 0.000 . . . . . . B 15 DA H5' . 34397 1 133 . 2 1 3 3 DA H5'' H 1 4.262 0.003 . . . . . . B 15 DA H5'' . 34397 1 134 . 2 1 3 3 DA H8 H 1 8.332 0.001 . . . . . . B 15 DA H8 . 34397 1 135 . 2 1 4 4 DT H1' H 1 5.570 0.002 . . . . . . B 16 DT H1' . 34397 1 136 . 2 1 4 4 DT H2' H 1 2.283 0.003 . . . . . . B 16 DT H2' . 34397 1 137 . 2 1 4 4 DT H2'' H 1 2.425 0.002 . . . . . . B 16 DT H2'' . 34397 1 138 . 2 1 4 4 DT H3 H 1 13.493 0.002 . . . . . . B 16 DT H3 . 34397 1 139 . 2 1 4 4 DT H3' H 1 4.926 0.003 . . . . . . B 16 DT H3' . 34397 1 140 . 2 1 4 4 DT H4' H 1 4.125 0.002 . . . . . . B 16 DT H4' . 34397 1 141 . 2 1 4 4 DT H5' H 1 4.172 0.000 . . . . . . B 16 DT H5' . 34397 1 142 . 2 1 4 4 DT H5'' H 1 4.225 0.000 . . . . . . B 16 DT H5'' . 34397 1 143 . 2 1 4 4 DT H6 H 1 7.303 0.002 . . . . . . B 16 DT H6 . 34397 1 144 . 2 1 4 4 DT H71 H 1 1.520 0.002 . . . . . . B 16 DT H71 . 34397 1 145 . 2 1 4 4 DT H72 H 1 1.520 0.002 . . . . . . B 16 DT H72 . 34397 1 146 . 2 1 4 4 DT H73 H 1 1.520 0.002 . . . . . . B 16 DT H73 . 34397 1 147 . 2 1 5 5 DG H1 H 1 12.804 0.002 . . . . . . B 17 DG H1 . 34397 1 148 . 2 1 5 5 DG H1' H 1 5.869 0.001 . . . . . . B 17 DG H1' . 34397 1 149 . 2 1 5 5 DG H2' H 1 2.763 0.005 . . . . . . B 17 DG H2' . 34397 1 150 . 2 1 5 5 DG H2'' H 1 2.885 0.000 . . . . . . B 17 DG H2'' . 34397 1 151 . 2 1 5 5 DG H3' H 1 5.043 0.002 . . . . . . B 17 DG H3' . 34397 1 152 . 2 1 5 5 DG H4' H 1 4.433 0.002 . . . . . . B 17 DG H4' . 34397 1 153 . 2 1 5 5 DG H5' H 1 4.038 0.000 . . . . . . B 17 DG H5' . 34397 1 154 . 2 1 5 5 DG H5'' H 1 4.104 0.000 . . . . . . B 17 DG H5'' . 34397 1 155 . 2 1 5 5 DG H8 H 1 8.078 0.001 . . . . . . B 17 DG H8 . 34397 1 156 . 2 1 5 5 DG H21 H 1 8.398 0.000 . . . . . . B 17 DG H21 . 34397 1 157 . 2 1 5 5 DG H22 H 1 7.578 0.000 . . . . . . B 17 DG H22 . 34397 1 158 . 2 1 6 6 DT H1' H 1 5.251 0.002 . . . . . . B 18 DT H1' . 34397 1 159 . 2 1 6 6 DT H2' H 1 1.715 0.001 . . . . . . B 18 DT H2' . 34397 1 160 . 2 1 6 6 DT H2'' H 1 2.245 0.004 . . . . . . B 18 DT H2'' . 34397 1 161 . 2 1 6 6 DT H3 H 1 12.856 0.002 . . . . . . B 18 DT H3 . 34397 1 162 . 2 1 6 6 DT H3' H 1 4.629 0.004 . . . . . . B 18 DT H3' . 34397 1 163 . 2 1 6 6 DT H4' H 1 2.076 0.002 . . . . . . B 18 DT H4' . 34397 1 164 . 2 1 6 6 DT H5' H 1 3.408 0.001 . . . . . . B 18 DT H5' . 34397 1 165 . 2 1 6 6 DT H6 H 1 6.982 0.002 . . . . . . B 18 DT H6 . 34397 1 166 . 2 1 6 6 DT H71 H 1 1.477 0.002 . . . . . . B 18 DT H71 . 34397 1 167 . 2 1 6 6 DT H72 H 1 1.477 0.002 . . . . . . B 18 DT H72 . 34397 1 168 . 2 1 6 6 DT H73 H 1 1.477 0.002 . . . . . . B 18 DT H73 . 34397 1 169 . 2 1 7 7 DA H1' H 1 5.529 0.003 . . . . . . B 19 DA H1' . 34397 1 170 . 2 1 7 7 DA H2 H 1 8.025 0.001 . . . . . . B 19 DA H2 . 34397 1 171 . 2 1 7 7 DA H2'' H 1 2.699 0.004 . . . . . . B 19 DA H2'' . 34397 1 172 . 2 1 7 7 DA H3' H 1 4.662 0.003 . . . . . . B 19 DA H3' . 34397 1 173 . 2 1 7 7 DA H4' H 1 2.488 0.000 . . . . . . B 19 DA H4' . 34397 1 174 . 2 1 7 7 DA H5' H 1 3.406 0.000 . . . . . . B 19 DA H5' . 34397 1 175 . 2 1 7 7 DA H8 H 1 8.157 0.001 . . . . . . B 19 DA H8 . 34397 1 176 . 2 1 8 8 DC H1' H 1 5.318 0.003 . . . . . . B 20 DC H1' . 34397 1 177 . 2 1 8 8 DC H2'' H 1 2.284 0.004 . . . . . . B 20 DC H2'' . 34397 1 178 . 2 1 8 8 DC H3' H 1 4.535 0.003 . . . . . . B 20 DC H3' . 34397 1 179 . 2 1 8 8 DC H4' H 1 2.178 0.002 . . . . . . B 20 DC H4' . 34397 1 180 . 2 1 8 8 DC H5 H 1 5.279 0.003 . . . . . . B 20 DC H5 . 34397 1 181 . 2 1 8 8 DC H6 H 1 6.868 0.002 . . . . . . B 20 DC H6 . 34397 1 182 . 2 1 8 8 DC H41 H 1 6.458 0.002 . . . . . . B 20 DC H41 . 34397 1 183 . 2 1 8 8 DC H42 H 1 8.727 0.001 . . . . . . B 20 DC H42 . 34397 1 184 . 2 1 9 9 DA H1' H 1 5.494 0.002 . . . . . . B 21 DA H1' . 34397 1 185 . 2 1 9 9 DA H2 H 1 7.711 0.001 . . . . . . B 21 DA H2 . 34397 1 186 . 2 1 9 9 DA H2' H 1 2.173 0.000 . . . . . . B 21 DA H2' . 34397 1 187 . 2 1 9 9 DA H2'' H 1 2.482 0.003 . . . . . . B 21 DA H2'' . 34397 1 188 . 2 1 9 9 DA H3' H 1 4.635 0.003 . . . . . . B 21 DA H3' . 34397 1 189 . 2 1 9 9 DA H4' H 1 2.836 0.001 . . . . . . B 21 DA H4' . 34397 1 190 . 2 1 9 9 DA H5' H 1 3.448 0.004 . . . . . . B 21 DA H5' . 34397 1 191 . 2 1 9 9 DA H8 H 1 8.284 0.001 . . . . . . B 21 DA H8 . 34397 1 192 . 2 1 10 10 DT H1' H 1 5.728 0.004 . . . . . . B 22 DT H1' . 34397 1 193 . 2 1 10 10 DT H2' H 1 1.826 0.001 . . . . . . B 22 DT H2' . 34397 1 194 . 2 1 10 10 DT H2'' H 1 2.095 0.002 . . . . . . B 22 DT H2'' . 34397 1 195 . 2 1 10 10 DT H3 H 1 13.806 0.003 . . . . . . B 22 DT H3 . 34397 1 196 . 2 1 10 10 DT H4' H 1 3.756 0.003 . . . . . . B 22 DT H4' . 34397 1 197 . 2 1 10 10 DT H6 H 1 6.951 0.002 . . . . . . B 22 DT H6 . 34397 1 198 . 2 1 10 10 DT H71 H 1 1.365 0.002 . . . . . . B 22 DT H71 . 34397 1 199 . 2 1 10 10 DT H72 H 1 1.365 0.002 . . . . . . B 22 DT H72 . 34397 1 200 . 2 1 10 10 DT H73 H 1 1.365 0.002 . . . . . . B 22 DT H73 . 34397 1 201 . 2 1 11 11 DC H1' H 1 5.490 0.002 . . . . . . B 23 DC H1' . 34397 1 202 . 2 1 11 11 DC H2' H 1 2.095 0.002 . . . . . . B 23 DC H2' . 34397 1 203 . 2 1 11 11 DC H2'' H 1 2.308 0.001 . . . . . . B 23 DC H2'' . 34397 1 204 . 2 1 11 11 DC H4' H 1 4.111 0.001 . . . . . . B 23 DC H4' . 34397 1 205 . 2 1 11 11 DC H5 H 1 5.655 0.001 . . . . . . B 23 DC H5 . 34397 1 206 . 2 1 11 11 DC H6 H 1 7.458 0.002 . . . . . . B 23 DC H6 . 34397 1 207 . 2 1 11 11 DC H41 H 1 6.951 0.003 . . . . . . B 23 DC H41 . 34397 1 208 . 2 1 11 11 DC H42 H 1 8.629 0.001 . . . . . . B 23 DC H42 . 34397 1 209 . 2 1 12 12 DG H1' H 1 6.164 0.001 . . . . . . B 24 DG H1' . 34397 1 210 . 2 1 12 12 DG H2' H 1 2.385 0.004 . . . . . . B 24 DG H2' . 34397 1 211 . 2 1 12 12 DG H2'' H 1 2.608 0.003 . . . . . . B 24 DG H2'' . 34397 1 212 . 2 1 12 12 DG H3' H 1 4.676 0.004 . . . . . . B 24 DG H3' . 34397 1 213 . 2 1 12 12 DG H4' H 1 4.159 0.003 . . . . . . B 24 DG H4' . 34397 1 214 . 2 1 12 12 DG H8 H 1 7.934 0.001 . . . . . . B 24 DG H8 . 34397 1 215 . 3 2 1 1 K4Z H111 H 1 3.600 0.003 . . . . . . C 101 K4Z CM1 . 34397 1 216 . 3 2 1 1 K4Z H112 H 1 3.600 0.003 . . . . . . C 101 K4Z CM1 . 34397 1 217 . 3 2 1 1 K4Z H113 H 1 3.600 0.003 . . . . . . C 101 K4Z CM1 . 34397 1 218 . 3 2 1 1 K4Z H221 H 1 3.685 0.003 . . . . . . C 101 K4Z CM2 . 34397 1 219 . 3 2 1 1 K4Z H222 H 1 3.685 0.003 . . . . . . C 101 K4Z CM2 . 34397 1 220 . 3 2 1 1 K4Z H223 H 1 3.685 0.003 . . . . . . C 101 K4Z CM2 . 34397 1 221 . 3 2 1 1 K4Z H331 H 1 3.831 0.001 . . . . . . C 101 K4Z CM3 . 34397 1 222 . 3 2 1 1 K4Z H332 H 1 3.831 0.001 . . . . . . C 101 K4Z CM3 . 34397 1 223 . 3 2 1 1 K4Z H333 H 1 3.831 0.001 . . . . . . C 101 K4Z CM3 . 34397 1 224 . 3 2 1 1 K4Z H441 H 1 3.967 0.001 . . . . . . C 101 K4Z CM4 . 34397 1 225 . 3 2 1 1 K4Z H442 H 1 3.967 0.001 . . . . . . C 101 K4Z CM4 . 34397 1 226 . 3 2 1 1 K4Z H443 H 1 3.967 0.001 . . . . . . C 101 K4Z CM4 . 34397 1 227 . 3 2 1 1 K4Z H551 H 1 3.579 0.001 . . . . . . C 101 K4Z CM5 . 34397 1 228 . 3 2 1 1 K4Z H552 H 1 3.579 0.001 . . . . . . C 101 K4Z CM5 . 34397 1 229 . 3 2 1 1 K4Z H553 H 1 3.579 0.001 . . . . . . C 101 K4Z CM5 . 34397 1 230 . 3 2 1 1 K4Z H661 H 1 3.823 0.004 . . . . . . C 101 K4Z CM6 . 34397 1 231 . 3 2 1 1 K4Z H662 H 1 3.823 0.004 . . . . . . C 101 K4Z CM6 . 34397 1 232 . 3 2 1 1 K4Z H663 H 1 3.823 0.004 . . . . . . C 101 K4Z CM6 . 34397 1 233 . 3 2 1 1 K4Z H771 H 1 3.899 0.003 . . . . . . C 101 K4Z CM7 . 34397 1 234 . 3 2 1 1 K4Z H772 H 1 3.899 0.003 . . . . . . C 101 K4Z CM7 . 34397 1 235 . 3 2 1 1 K4Z H773 H 1 3.899 0.003 . . . . . . C 101 K4Z CM7 . 34397 1 236 . 3 2 1 1 K4Z H881 H 1 3.955 0.002 . . . . . . C 101 K4Z C88 . 34397 1 237 . 3 2 1 1 K4Z H882 H 1 3.955 0.002 . . . . . . C 101 K4Z C88 . 34397 1 238 . 3 2 1 1 K4Z H883 H 1 3.955 0.002 . . . . . . C 101 K4Z C88 . 34397 1 239 . 3 2 1 1 K4Z H031 H 1 3.151 0.002 . . . . . . C 101 K4Z H031 . 34397 1 240 . 3 2 1 1 K4Z H041 H 1 1.934 0.000 . . . . . . C 101 K4Z H041 . 34397 1 241 . 3 2 1 1 K4Z H042 H 1 2.126 0.000 . . . . . . C 101 K4Z H042 . 34397 1 242 . 3 2 1 1 K4Z H051 H 1 2.960 0.000 . . . . . . C 101 K4Z H051 . 34397 1 243 . 3 2 1 1 K4Z H071 H 1 2.168 0.000 . . . . . . C 101 K4Z H071 . 34397 1 244 . 3 2 1 1 K4Z H072 H 1 1.691 0.003 . . . . . . C 101 K4Z H072 . 34397 1 245 . 3 2 1 1 K4Z H081 H 1 2.875 0.000 . . . . . . C 101 K4Z H081 . 34397 1 246 . 3 2 1 1 K4Z H13 H 1 6.309 0.003 . . . . . . C 101 K4Z H13 . 34397 1 247 . 3 2 1 1 K4Z H15 H 1 7.125 0.001 . . . . . . C 101 K4Z H15 . 34397 1 248 . 3 2 1 1 K4Z H23 H 1 6.320 0.004 . . . . . . C 101 K4Z H23 . 34397 1 249 . 3 2 1 1 K4Z H25 H 1 7.530 0.000 . . . . . . C 101 K4Z H25 . 34397 1 250 . 3 2 1 1 K4Z H33 H 1 6.249 0.002 . . . . . . C 101 K4Z H33 . 34397 1 251 . 3 2 1 1 K4Z H35 H 1 7.608 0.000 . . . . . . C 101 K4Z H35 . 34397 1 252 . 3 2 1 1 K4Z H44 H 1 7.518 0.002 . . . . . . C 101 K4Z H44 . 34397 1 253 . 3 2 1 1 K4Z H53 H 1 6.299 0.003 . . . . . . C 101 K4Z H53 . 34397 1 254 . 3 2 1 1 K4Z H55 H 1 7.162 0.001 . . . . . . C 101 K4Z H55 . 34397 1 255 . 3 2 1 1 K4Z H63 H 1 6.121 0.003 . . . . . . C 101 K4Z H63 . 34397 1 256 . 3 2 1 1 K4Z H65 H 1 7.643 0.001 . . . . . . C 101 K4Z H65 . 34397 1 257 . 3 2 1 1 K4Z H73 H 1 5.972 0.001 . . . . . . C 101 K4Z H73 . 34397 1 258 . 3 2 1 1 K4Z H75 H 1 7.566 0.000 . . . . . . C 101 K4Z H75 . 34397 1 259 . 3 2 1 1 K4Z H83 H 1 7.242 0.003 . . . . . . C 101 K4Z H83 . 34397 1 260 . 3 2 1 1 K4Z H84 H 1 7.053 0.001 . . . . . . C 101 K4Z H84 . 34397 1 261 . 3 2 1 1 K4Z H931 H 1 1.507 0.004 . . . . . . C 101 K4Z H931 . 34397 1 262 . 3 2 1 1 K4Z H941 H 1 2.249 0.002 . . . . . . C 101 K4Z H941 . 34397 1 263 . 3 2 1 1 K4Z HN02 H 1 8.080 0.002 . . . . . . C 101 K4Z HN02 . 34397 1 264 . 3 2 1 1 K4Z HN1 H 1 9.298 0.002 . . . . . . C 101 K4Z HN1 . 34397 1 265 . 3 2 1 1 K4Z HN2 H 1 10.695 0.002 . . . . . . C 101 K4Z HN2 . 34397 1 266 . 3 2 1 1 K4Z HN3 H 1 9.906 0.001 . . . . . . C 101 K4Z HN3 . 34397 1 267 . 3 2 1 1 K4Z HN4 H 1 11.178 0.001 . . . . . . C 101 K4Z HN4 . 34397 1 268 . 3 2 1 1 K4Z HN5 H 1 9.113 0.002 . . . . . . C 101 K4Z HN5 . 34397 1 269 . 3 2 1 1 K4Z HN6 H 1 10.185 0.002 . . . . . . C 101 K4Z HN6 . 34397 1 270 . 3 2 1 1 K4Z HN7 H 1 9.665 0.002 . . . . . . C 101 K4Z HN7 . 34397 1 271 . 3 2 1 1 K4Z HN9 H 1 7.926 0.001 . . . . . . C 101 K4Z HN9 . 34397 1 stop_ save_