################################### # 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 36699 _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 0.01 _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' 1 $sample_1 isotropic 36699 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36699 1 3 '2D DQF-COSY' 1 $sample_1 isotropic 36699 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 1 $software_1 . . 36699 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 DG H1' H 1 5.70 0.01 . 1 . . . . A 1 DG H1' . 36699 1 2 . 1 . 1 1 1 DG H2' H 1 2.51 0.01 . 1 . . . . A 1 DG H2' . 36699 1 3 . 1 . 1 1 1 DG H2'' H 1 2.68 0.01 . 1 . . . . A 1 DG H2'' . 36699 1 4 . 1 . 1 1 1 DG H3' H 1 4.82 0.01 . 1 . . . . A 1 DG H3' . 36699 1 5 . 1 . 1 1 1 DG H4' H 1 4.18 0.01 . 1 . . . . A 1 DG H4' . 36699 1 6 . 1 . 1 1 1 DG H5' H 1 3.69 0.01 . 1 . . . . A 1 DG H5' . 36699 1 7 . 1 . 1 1 1 DG H5'' H 1 3.69 0.01 . 1 . . . . A 1 DG H5'' . 36699 1 8 . 1 . 1 1 1 DG H8 H 1 7.88 0.01 . 1 . . . . A 1 DG H8 . 36699 1 9 . 1 . 1 2 2 DG H1 H 1 12.81 0.01 . 1 . . . . A 2 DG H1 . 36699 1 10 . 1 . 1 2 2 DG H1' H 1 5.71 0.01 . 1 . . . . A 2 DG H1' . 36699 1 11 . 1 . 1 2 2 DG H2' H 1 2.73 0.01 . 1 . . . . A 2 DG H2' . 36699 1 12 . 1 . 1 2 2 DG H2'' H 1 2.83 0.01 . 1 . . . . A 2 DG H2'' . 36699 1 13 . 1 . 1 2 2 DG H3' H 1 5.03 0.01 . 1 . . . . A 2 DG H3' . 36699 1 14 . 1 . 1 2 2 DG H4' H 1 4.40 0.01 . 1 . . . . A 2 DG H4' . 36699 1 15 . 1 . 1 2 2 DG H5' H 1 4.10 0.01 . 1 . . . . A 2 DG H5' . 36699 1 16 . 1 . 1 2 2 DG H5'' H 1 4.16 0.01 . 1 . . . . A 2 DG H5'' . 36699 1 17 . 1 . 1 2 2 DG H8 H 1 7.88 0.01 . 1 . . . . A 2 DG H8 . 36699 1 18 . 1 . 1 3 3 DA H1' H 1 6.30 0.01 . 1 . . . . A 3 DA H1' . 36699 1 19 . 1 . 1 3 3 DA H2 H 1 7.93 0.01 . 1 . . . . A 3 DA H2 . 36699 1 20 . 1 . 1 3 3 DA H2' H 1 2.64 0.01 . 1 . . . . A 3 DA H2' . 36699 1 21 . 1 . 1 3 3 DA H2'' H 1 2.96 0.01 . 1 . . . . A 3 DA H2'' . 36699 1 22 . 1 . 1 3 3 DA H3' H 1 5.02 0.01 . 1 . . . . A 3 DA H3' . 36699 1 23 . 1 . 1 3 3 DA H4' H 1 4.49 0.01 . 1 . . . . A 3 DA H4' . 36699 1 24 . 1 . 1 3 3 DA H5' H 1 4.26 0.01 . 1 . . . . A 3 DA H5' . 36699 1 25 . 1 . 1 3 3 DA H5'' H 1 4.25 0.01 . 1 . . . . A 3 DA H5'' . 36699 1 26 . 1 . 1 3 3 DA H8 H 1 8.22 0.01 . 1 . . . . A 3 DA H8 . 36699 1 27 . 1 . 1 4 4 DT H1' H 1 5.87 0.01 . 1 . . . . A 4 DT H1' . 36699 1 28 . 1 . 1 4 4 DT H2' H 1 1.92 0.01 . 1 . . . . A 4 DT H2' . 36699 1 29 . 1 . 1 4 4 DT H2'' H 1 2.35 0.01 . 1 . . . . A 4 DT H2'' . 36699 1 30 . 1 . 1 4 4 DT H3 H 1 13.71 0.01 . 1 . . . . A 4 DT H3 . 36699 1 31 . 1 . 1 4 4 DT H3' H 1 4.81 0.01 . 1 . . . . A 4 DT H3' . 36699 1 32 . 1 . 1 4 4 DT H4' H 1 4.13 0.01 . 1 . . . . A 4 DT H4' . 36699 1 33 . 1 . 1 4 4 DT H5' H 1 4.29 0.01 . 1 . . . . A 4 DT H5' . 36699 1 34 . 1 . 1 4 4 DT H5'' H 1 4.13 0.01 . 1 . . . . A 4 DT H5'' . 36699 1 35 . 1 . 1 4 4 DT H6 H 1 7.13 0.01 . 1 . . . . A 4 DT H6 . 36699 1 36 . 1 . 1 4 4 DT H71 H 1 1.40 0.01 . 1 . . . . A 4 DT H71 . 36699 1 37 . 1 . 1 4 4 DT H72 H 1 1.40 0.01 . 1 . . . . A 4 DT H72 . 36699 1 38 . 1 . 1 4 4 DT H73 H 1 1.40 0.01 . 1 . . . . A 4 DT H73 . 36699 1 39 . 1 . 1 5 5 DC H1' H 1 5.38 0.01 . 1 . . . . A 5 DC H1' . 36699 1 40 . 1 . 1 5 5 DC H2' H 1 1.59 0.01 . 1 . . . . A 5 DC H2' . 36699 1 41 . 1 . 1 5 5 DC H2'' H 1 1.88 0.01 . 1 . . . . A 5 DC H2'' . 36699 1 42 . 1 . 1 5 5 DC H3' H 1 4.71 0.01 . 1 . . . . A 5 DC H3' . 36699 1 43 . 1 . 1 5 5 DC H4' H 1 3.90 0.01 . 1 . . . . A 5 DC H4' . 36699 1 44 . 1 . 1 5 5 DC H41 H 1 8.24 0.01 . 1 . . . . A 5 DC H41 . 36699 1 45 . 1 . 1 5 5 DC H42 H 1 7.11 0.01 . 1 . . . . A 5 DC H42 . 36699 1 46 . 1 . 1 5 5 DC H5 H 1 5.53 0.01 . 1 . . . . A 5 DC H5 . 36699 1 47 . 1 . 1 5 5 DC H5' H 1 4.04 0.01 . 1 . . . . A 5 DC H5' . 36699 1 48 . 1 . 1 5 5 DC H5'' H 1 3.98 0.01 . 1 . . . . A 5 DC H5'' . 36699 1 49 . 1 . 1 5 5 DC H6 H 1 7.28 0.01 . 1 . . . . A 5 DC H6 . 36699 1 50 . 1 . 1 6 6 DA H1' H 1 5.92 0.01 . 1 . . . . A 6 DA H1' . 36699 1 51 . 1 . 1 6 6 DA H2 H 1 7.75 0.01 . 1 . . . . A 6 DA H2 . 36699 1 52 . 1 . 1 6 6 DA H2' H 1 2.80 0.01 . 1 . . . . A 6 DA H2' . 36699 1 53 . 1 . 1 6 6 DA H2'' H 1 2.54 0.01 . 1 . . . . A 6 DA H2'' . 36699 1 54 . 1 . 1 6 6 DA H3' H 1 4.96 0.01 . 1 . . . . A 6 DA H3' . 36699 1 55 . 1 . 1 6 6 DA H4' H 1 4.32 0.01 . 1 . . . . A 6 DA H4' . 36699 1 56 . 1 . 1 6 6 DA H5' H 1 3.67 0.01 . 1 . . . . A 6 DA H5' . 36699 1 57 . 1 . 1 6 6 DA H5'' H 1 3.92 0.01 . 1 . . . . A 6 DA H5'' . 36699 1 58 . 1 . 1 6 6 DA H8 H 1 7.99 0.01 . 1 . . . . A 6 DA H8 . 36699 1 59 . 1 . 1 7 7 DC H1' H 1 6.27 0.01 . 1 . . . . A 7 DC H1' . 36699 1 60 . 1 . 1 7 7 DC H2' H 1 2.24 0.01 . 1 . . . . A 7 DC H2' . 36699 1 61 . 1 . 1 7 7 DC H2'' H 1 2.58 0.01 . 1 . . . . A 7 DC H2'' . 36699 1 62 . 1 . 1 7 7 DC H3' H 1 4.70 0.01 . 1 . . . . A 7 DC H3' . 36699 1 63 . 1 . 1 7 7 DC H4' H 1 4.37 0.01 . 1 . . . . A 7 DC H4' . 36699 1 64 . 1 . 1 7 7 DC H5 H 1 5.64 0.01 . 1 . . . . A 7 DC H5 . 36699 1 65 . 1 . 1 7 7 DC H5' H 1 4.03 0.01 . 1 . . . . A 7 DC H5' . 36699 1 66 . 1 . 1 7 7 DC H5'' H 1 4.29 0.01 . 1 . . . . A 7 DC H5'' . 36699 1 67 . 1 . 1 7 7 DC H6 H 1 7.80 0.01 . 1 . . . . A 7 DC H6 . 36699 1 68 . 1 . 1 8 8 DC H1' H 1 6.11 0.01 . 1 . . . . A 8 DC H1' . 36699 1 69 . 1 . 1 8 8 DC H2' H 1 2.38 0.01 . 1 . . . . A 8 DC H2' . 36699 1 70 . 1 . 1 8 8 DC H2'' H 1 2.53 0.01 . 1 . . . . A 8 DC H2'' . 36699 1 71 . 1 . 1 8 8 DC H3' H 1 4.92 0.01 . 1 . . . . A 8 DC H3' . 36699 1 72 . 1 . 1 8 8 DC H4' H 1 4.41 0.01 . 1 . . . . A 8 DC H4' . 36699 1 73 . 1 . 1 8 8 DC H41 H 1 7.79 0.01 . 1 . . . . A 8 DC H41 . 36699 1 74 . 1 . 1 8 8 DC H42 H 1 7.13 0.01 . 1 . . . . A 8 DC H42 . 36699 1 75 . 1 . 1 8 8 DC H5 H 1 6.09 0.01 . 1 . . . . A 8 DC H5 . 36699 1 76 . 1 . 1 8 8 DC H5' H 1 4.08 0.01 . 1 . . . . A 8 DC H5' . 36699 1 77 . 1 . 1 8 8 DC H5'' H 1 4.17 0.01 . 1 . . . . A 8 DC H5'' . 36699 1 78 . 1 . 1 8 8 DC H6 H 1 7.92 0.01 . 1 . . . . A 8 DC H6 . 36699 1 79 . 1 . 1 9 9 DC H1' H 1 6.01 0.01 . 1 . . . . A 9 DC H1' . 36699 1 80 . 1 . 1 9 9 DC H2' H 1 2.11 0.01 . 1 . . . . A 9 DC H2' . 36699 1 81 . 1 . 1 9 9 DC H2'' H 1 2.57 0.01 . 1 . . . . A 9 DC H2'' . 36699 1 82 . 1 . 1 9 9 DC H3' H 1 4.99 0.01 . 1 . . . . A 9 DC H3' . 36699 1 83 . 1 . 1 9 9 DC H4' H 1 4.45 0.01 . 1 . . . . A 9 DC H4' . 36699 1 84 . 1 . 1 9 9 DC H41 H 1 8.26 0.01 . 1 . . . . A 9 DC H41 . 36699 1 85 . 1 . 1 9 9 DC H42 H 1 6.73 0.01 . 1 . . . . A 9 DC H42 . 36699 1 86 . 1 . 1 9 9 DC H5 H 1 5.65 0.01 . 1 . . . . A 9 DC H5 . 36699 1 87 . 1 . 1 9 9 DC H5' H 1 4.09 0.01 . 1 . . . . A 9 DC H5' . 36699 1 88 . 1 . 1 9 9 DC H5'' H 1 4.16 0.01 . 1 . . . . A 9 DC H5'' . 36699 1 89 . 1 . 1 9 9 DC H6 H 1 7.43 0.01 . 1 . . . . A 9 DC H6 . 36699 1 90 . 1 . 1 10 10 DG H1 H 1 12.92 0.01 . 1 . . . . A 10 DG H1 . 36699 1 91 . 1 . 1 10 10 DG H1' H 1 5.77 0.01 . 1 . . . . A 10 DG H1' . 36699 1 92 . 1 . 1 10 10 DG H2' H 1 2.45 0.01 . 1 . . . . A 10 DG H2' . 36699 1 93 . 1 . 1 10 10 DG H2'' H 1 2.56 0.01 . 1 . . . . A 10 DG H2'' . 36699 1 94 . 1 . 1 10 10 DG H3' H 1 4.90 0.01 . 1 . . . . A 10 DG H3' . 36699 1 95 . 1 . 1 10 10 DG H4' H 1 4.41 0.01 . 1 . . . . A 10 DG H4' . 36699 1 96 . 1 . 1 10 10 DG H5' H 1 4.07 0.01 . 1 . . . . A 10 DG H5' . 36699 1 97 . 1 . 1 10 10 DG H5'' H 1 4.15 0.01 . 1 . . . . A 10 DG H5'' . 36699 1 98 . 1 . 1 10 10 DG H8 H 1 7.83 0.01 . 1 . . . . A 10 DG H8 . 36699 1 99 . 1 . 1 11 11 DC H1' H 1 5.83 0.01 . 1 . . . . A 11 DC H1' . 36699 1 100 . 1 . 1 11 11 DC H2' H 1 1.59 0.01 . 1 . . . . A 11 DC H2' . 36699 1 101 . 1 . 1 11 11 DC H2'' H 1 2.17 0.01 . 1 . . . . A 11 DC H2'' . 36699 1 102 . 1 . 1 11 11 DC H3' H 1 4.74 0.01 . 1 . . . . A 11 DC H3' . 36699 1 103 . 1 . 1 11 11 DC H4' H 1 4.07 0.01 . 1 . . . . A 11 DC H4' . 36699 1 104 . 1 . 1 11 11 DC H41 H 1 8.34 0.01 . 1 . . . . A 11 DC H41 . 36699 1 105 . 1 . 1 11 11 DC H42 H 1 6.67 0.01 . 1 . . . . A 11 DC H42 . 36699 1 106 . 1 . 1 11 11 DC H5 H 1 5.01 0.01 . 1 . . . . A 11 DC H5 . 36699 1 107 . 1 . 1 11 11 DC H5' H 1 3.94 0.01 . 1 . . . . A 11 DC H5' . 36699 1 108 . 1 . 1 11 11 DC H5'' H 1 3.94 0.01 . 1 . . . . A 11 DC H5'' . 36699 1 109 . 1 . 1 11 11 DC H6 H 1 6.90 0.01 . 1 . . . . A 11 DC H6 . 36699 1 110 . 1 . 1 12 12 DG H1' H 1 5.31 0.01 . 1 . . . . A 12 DG H1' . 36699 1 111 . 1 . 1 12 12 DG H2' H 1 2.63 0.01 . 1 . . . . A 12 DG H2' . 36699 1 112 . 1 . 1 12 12 DG H2'' H 1 2.50 0.01 . 1 . . . . A 12 DG H2'' . 36699 1 113 . 1 . 1 12 12 DG H3' H 1 4.86 0.01 . 1 . . . . A 12 DG H3' . 36699 1 114 . 1 . 1 12 12 DG H4' H 1 4.41 0.01 . 1 . . . . A 12 DG H4' . 36699 1 115 . 1 . 1 12 12 DG H5' H 1 4.03 0.01 . 1 . . . . A 12 DG H5' . 36699 1 116 . 1 . 1 12 12 DG H5'' H 1 4.03 0.01 . 1 . . . . A 12 DG H5'' . 36699 1 117 . 1 . 1 12 12 DG H8 H 1 8.05 0.01 . 1 . . . . A 12 DG H8 . 36699 1 118 . 1 . 1 13 13 DA H1' H 1 5.96 0.01 . 1 . . . . A 13 DA H1' . 36699 1 119 . 1 . 1 13 13 DA H2' H 1 2.23 0.01 . 1 . . . . A 13 DA H2' . 36699 1 120 . 1 . 1 13 13 DA H2'' H 1 2.29 0.01 . 1 . . . . A 13 DA H2'' . 36699 1 121 . 1 . 1 13 13 DA H3' H 1 4.56 0.01 . 1 . . . . A 13 DA H3' . 36699 1 122 . 1 . 1 13 13 DA H4' H 1 2.06 0.01 . 1 . . . . A 13 DA H4' . 36699 1 123 . 1 . 1 13 13 DA H5' H 1 3.01 0.01 . 1 . . . . A 13 DA H5' . 36699 1 124 . 1 . 1 13 13 DA H5'' H 1 3.35 0.01 . 1 . . . . A 13 DA H5'' . 36699 1 125 . 1 . 1 13 13 DA H8 H 1 8.09 0.01 . 1 . . . . A 13 DA H8 . 36699 1 126 . 1 . 1 14 14 DA H1' H 1 6.26 0.01 . 1 . . . . A 14 DA H1' . 36699 1 127 . 1 . 1 14 14 DA H2 H 1 8.08 0.01 . 1 . . . . A 14 DA H2 . 36699 1 128 . 1 . 1 14 14 DA H2' H 1 2.87 0.01 . 1 . . . . A 14 DA H2' . 36699 1 129 . 1 . 1 14 14 DA H2'' H 1 2.87 0.01 . 1 . . . . A 14 DA H2'' . 36699 1 130 . 1 . 1 14 14 DA H3' H 1 4.83 0.01 . 1 . . . . A 14 DA H3' . 36699 1 131 . 1 . 1 14 14 DA H4' H 1 4.34 0.01 . 1 . . . . A 14 DA H4' . 36699 1 132 . 1 . 1 14 14 DA H5' H 1 3.98 0.01 . 1 . . . . A 14 DA H5' . 36699 1 133 . 1 . 1 14 14 DA H5'' H 1 3.81 0.01 . 1 . . . . A 14 DA H5'' . 36699 1 134 . 1 . 1 14 14 DA H8 H 1 7.97 0.01 . 1 . . . . A 14 DA H8 . 36699 1 135 . 1 . 1 15 15 DG H1 H 1 12.97 0.01 . 1 . . . . A 15 DG H1 . 36699 1 136 . 1 . 1 15 15 DG H1' H 1 5.42 0.01 . 1 . . . . A 15 DG H1' . 36699 1 137 . 1 . 1 15 15 DG H2' H 1 2.60 0.01 . 1 . . . . A 15 DG H2' . 36699 1 138 . 1 . 1 15 15 DG H2'' H 1 2.46 0.01 . 1 . . . . A 15 DG H2'' . 36699 1 139 . 1 . 1 15 15 DG H3' H 1 4.89 0.01 . 1 . . . . A 15 DG H3' . 36699 1 140 . 1 . 1 15 15 DG H4' H 1 4.37 0.01 . 1 . . . . A 15 DG H4' . 36699 1 141 . 1 . 1 15 15 DG H5' H 1 4.26 0.01 . 1 . . . . A 15 DG H5' . 36699 1 142 . 1 . 1 15 15 DG H5'' H 1 4.13 0.01 . 1 . . . . A 15 DG H5'' . 36699 1 143 . 1 . 1 15 15 DG H8 H 1 8.01 0.01 . 1 . . . . A 15 DG H8 . 36699 1 144 . 1 . 1 16 16 DC H1' H 1 5.69 0.01 . 1 . . . . A 16 DC H1' . 36699 1 145 . 1 . 1 16 16 DC H2' H 1 1.86 0.01 . 1 . . . . A 16 DC H2' . 36699 1 146 . 1 . 1 16 16 DC H2'' H 1 2.26 0.01 . 1 . . . . A 16 DC H2'' . 36699 1 147 . 1 . 1 16 16 DC H3' H 1 4.83 0.01 . 1 . . . . A 16 DC H3' . 36699 1 148 . 1 . 1 16 16 DC H4' H 1 4.17 0.01 . 1 . . . . A 16 DC H4' . 36699 1 149 . 1 . 1 16 16 DC H41 H 1 8.40 0.01 . 1 . . . . A 16 DC H41 . 36699 1 150 . 1 . 1 16 16 DC H42 H 1 6.34 0.01 . 1 . . . . A 16 DC H42 . 36699 1 151 . 1 . 1 16 16 DC H5 H 1 5.35 0.01 . 1 . . . . A 16 DC H5 . 36699 1 152 . 1 . 1 16 16 DC H5' H 1 4.13 0.01 . 1 . . . . A 16 DC H5' . 36699 1 153 . 1 . 1 16 16 DC H5'' H 1 4.09 0.01 . 1 . . . . A 16 DC H5'' . 36699 1 154 . 1 . 1 16 16 DC H6 H 1 7.34 0.01 . 1 . . . . A 16 DC H6 . 36699 1 155 . 1 . 1 17 17 DG H1 H 1 13.31 0.01 . 1 . . . . A 17 DG H1 . 36699 1 156 . 1 . 1 17 17 DG H1' H 1 5.46 0.01 . 1 . . . . A 17 DG H1' . 36699 1 157 . 1 . 1 17 17 DG H2' H 1 2.48 0.01 . 1 . . . . A 17 DG H2' . 36699 1 158 . 1 . 1 17 17 DG H2'' H 1 2.48 0.01 . 1 . . . . A 17 DG H2'' . 36699 1 159 . 1 . 1 17 17 DG H3' H 1 4.87 0.01 . 1 . . . . A 17 DG H3' . 36699 1 160 . 1 . 1 17 17 DG H4' H 1 4.25 0.01 . 1 . . . . A 17 DG H4' . 36699 1 161 . 1 . 1 17 17 DG H5' H 1 3.95 0.01 . 1 . . . . A 17 DG H5' . 36699 1 162 . 1 . 1 17 17 DG H5'' H 1 4.02 0.01 . 1 . . . . A 17 DG H5'' . 36699 1 163 . 1 . 1 17 17 DG H8 H 1 7.75 0.01 . 1 . . . . A 17 DG H8 . 36699 1 164 . 1 . 1 18 18 OMG H1' H 1 5.44 0.01 . 1 . . . . A 18 OMG H1' . 36699 1 165 . 1 . 1 18 18 OMG H2' H 1 4.24 0.01 . 1 . . . . A 18 OMG H2' . 36699 1 166 . 1 . 1 18 18 OMG H3' H 1 4.86 0.01 . 1 . . . . A 18 OMG H3' . 36699 1 167 . 1 . 1 18 18 OMG H4' H 1 3.62 0.01 . 1 . . . . A 18 OMG H4' . 36699 1 168 . 1 . 1 18 18 OMG H5' H 1 3.33 0.01 . 1 . . . . A 18 OMG H5' . 36699 1 169 . 1 . 1 18 18 OMG H5'' H 1 3.33 0.01 . 1 . . . . A 18 OMG H5'' . 36699 1 170 . 1 . 1 18 18 OMG H8 H 1 7.79 0.01 . 1 . . . . A 18 OMG H8 . 36699 1 171 . 1 . 1 18 18 OMG HM21 H 1 3.45 0.01 . 1 . . . . A 18 OMG HM21 . 36699 1 172 . 1 . 1 18 18 OMG HM22 H 1 3.45 0.01 . 1 . . . . A 18 OMG HM22 . 36699 1 173 . 1 . 1 18 18 OMG HM23 H 1 3.45 0.01 . 1 . . . . A 18 OMG HM23 . 36699 1 174 . 1 . 1 18 18 OMG HN1 H 1 12.52 0.01 . 1 . . . . A 18 OMG HN1 . 36699 1 175 . 1 . 1 19 19 A H1' H 1 5.81 0.01 . 1 . . . . A 19 A H1' . 36699 1 176 . 1 . 1 19 19 A H2' H 1 4.56 0.01 . 1 . . . . A 19 A H2' . 36699 1 177 . 1 . 1 19 19 A H3' H 1 4.58 0.01 . 1 . . . . A 19 A H3' . 36699 1 178 . 1 . 1 19 19 A H4' H 1 4.40 0.01 . 1 . . . . A 19 A H4' . 36699 1 179 . 1 . 1 19 19 A H5' H 1 3.96 0.01 . 1 . . . . A 19 A H5' . 36699 1 180 . 1 . 1 19 19 A H5'' H 1 4.34 0.01 . 1 . . . . A 19 A H5'' . 36699 1 181 . 1 . 1 19 19 A H8 H 1 7.87 0.01 . 1 . . . . A 19 A H8 . 36699 1 182 . 1 . 1 20 20 A H1' H 1 5.78 0.01 . 1 . . . . A 20 A H1' . 36699 1 183 . 1 . 1 20 20 A H2 H 1 8.12 0.01 . 1 . . . . A 20 A H2 . 36699 1 184 . 1 . 1 20 20 A H2' H 1 4.83 0.01 . 1 . . . . A 20 A H2' . 36699 1 185 . 1 . 1 20 20 A H3' H 1 4.90 0.01 . 1 . . . . A 20 A H3' . 36699 1 186 . 1 . 1 20 20 A H4' H 1 4.42 0.01 . 1 . . . . A 20 A H4' . 36699 1 187 . 1 . 1 20 20 A H5' H 1 4.27 0.01 . 1 . . . . A 20 A H5' . 36699 1 188 . 1 . 1 20 20 A H5'' H 1 4.44 0.01 . 1 . . . . A 20 A H5'' . 36699 1 189 . 1 . 1 20 20 A H8 H 1 8.42 0.01 . 1 . . . . A 20 A H8 . 36699 1 190 . 1 . 1 21 21 DG H1' H 1 5.68 0.01 . 1 . . . . A 21 DG H1' . 36699 1 191 . 1 . 1 21 21 DG H2' H 1 2.49 0.01 . 1 . . . . A 21 DG H2' . 36699 1 192 . 1 . 1 21 21 DG H2'' H 1 2.76 0.01 . 1 . . . . A 21 DG H2'' . 36699 1 193 . 1 . 1 21 21 DG H21 H 1 6.00 0.01 . 1 . . . . A 21 DG H21 . 36699 1 194 . 1 . 1 21 21 DG H3' H 1 4.58 0.01 . 1 . . . . A 21 DG H3' . 36699 1 195 . 1 . 1 21 21 DG H4' H 1 4.34 0.01 . 1 . . . . A 21 DG H4' . 36699 1 196 . 1 . 1 21 21 DG H5' H 1 4.20 0.01 . 1 . . . . A 21 DG H5' . 36699 1 197 . 1 . 1 21 21 DG H5'' H 1 4.36 0.01 . 1 . . . . A 21 DG H5'' . 36699 1 198 . 1 . 1 21 21 DG H8 H 1 7.75 0.01 . 1 . . . . A 21 DG H8 . 36699 1 199 . 1 . 1 22 22 DG H1 H 1 12.55 0.01 . 1 . . . . A 22 DG H1 . 36699 1 200 . 1 . 1 22 22 DG H1' H 1 5.75 0.01 . 1 . . . . A 22 DG H1' . 36699 1 201 . 1 . 1 22 22 DG H2' H 1 2.51 0.01 . 1 . . . . A 22 DG H2' . 36699 1 202 . 1 . 1 22 22 DG H2'' H 1 2.69 0.01 . 1 . . . . A 22 DG H2'' . 36699 1 203 . 1 . 1 22 22 DG H3' H 1 4.82 0.01 . 1 . . . . A 22 DG H3' . 36699 1 204 . 1 . 1 22 22 DG H4' H 1 4.30 0.01 . 1 . . . . A 22 DG H4' . 36699 1 205 . 1 . 1 22 22 DG H5' H 1 4.14 0.01 . 1 . . . . A 22 DG H5' . 36699 1 206 . 1 . 1 22 22 DG H5'' H 1 4.09 0.01 . 1 . . . . A 22 DG H5'' . 36699 1 207 . 1 . 1 22 22 DG H8 H 1 7.62 0.01 . 1 . . . . A 22 DG H8 . 36699 1 208 . 1 . 1 23 23 DA H1' H 1 6.17 0.01 . 1 . . . . A 23 DA H1' . 36699 1 209 . 1 . 1 23 23 DA H2 H 1 7.85 0.01 . 1 . . . . A 23 DA H2 . 36699 1 210 . 1 . 1 23 23 DA H2' H 1 2.52 0.01 . 1 . . . . A 23 DA H2' . 36699 1 211 . 1 . 1 23 23 DA H2'' H 1 2.83 0.01 . 1 . . . . A 23 DA H2'' . 36699 1 212 . 1 . 1 23 23 DA H3' H 1 4.86 0.01 . 1 . . . . A 23 DA H3' . 36699 1 213 . 1 . 1 23 23 DA H4' H 1 4.37 0.01 . 1 . . . . A 23 DA H4' . 36699 1 214 . 1 . 1 23 23 DA H5' H 1 4.24 0.01 . 1 . . . . A 23 DA H5' . 36699 1 215 . 1 . 1 23 23 DA H5'' H 1 4.16 0.01 . 1 . . . . A 23 DA H5'' . 36699 1 216 . 1 . 1 23 23 DA H8 H 1 8.10 0.01 . 1 . . . . A 23 DA H8 . 36699 1 217 . 1 . 1 24 24 DT H1' H 1 5.97 0.01 . 1 . . . . A 24 DT H1' . 36699 1 218 . 1 . 1 24 24 DT H2' H 1 2.10 0.01 . 1 . . . . A 24 DT H2' . 36699 1 219 . 1 . 1 24 24 DT H2'' H 1 2.50 0.01 . 1 . . . . A 24 DT H2'' . 36699 1 220 . 1 . 1 24 24 DT H3 H 1 13.55 0.01 . 1 . . . . A 24 DT H3 . 36699 1 221 . 1 . 1 24 24 DT H3' H 1 4.84 0.01 . 1 . . . . A 24 DT H3' . 36699 1 222 . 1 . 1 24 24 DT H4' H 1 4.24 0.01 . 1 . . . . A 24 DT H4' . 36699 1 223 . 1 . 1 24 24 DT H5' H 1 4.12 0.01 . 1 . . . . A 24 DT H5' . 36699 1 224 . 1 . 1 24 24 DT H5'' H 1 4.18 0.01 . 1 . . . . A 24 DT H5'' . 36699 1 225 . 1 . 1 24 24 DT H6 H 1 7.30 0.01 . 1 . . . . A 24 DT H6 . 36699 1 226 . 1 . 1 24 24 DT H71 H 1 1.30 0.01 . 1 . . . . A 24 DT H71 . 36699 1 227 . 1 . 1 24 24 DT H72 H 1 1.30 0.01 . 1 . . . . A 24 DT H72 . 36699 1 228 . 1 . 1 24 24 DT H73 H 1 1.30 0.01 . 1 . . . . A 24 DT H73 . 36699 1 229 . 1 . 1 25 25 DC H1' H 1 6.08 0.01 . 1 . . . . A 25 DC H1' . 36699 1 230 . 1 . 1 25 25 DC H2' H 1 2.21 0.01 . 1 . . . . A 25 DC H2' . 36699 1 231 . 1 . 1 25 25 DC H2'' H 1 2.48 0.01 . 1 . . . . A 25 DC H2'' . 36699 1 232 . 1 . 1 25 25 DC H3' H 1 4.82 0.01 . 1 . . . . A 25 DC H3' . 36699 1 233 . 1 . 1 25 25 DC H4' H 1 4.16 0.01 . 1 . . . . A 25 DC H4' . 36699 1 234 . 1 . 1 25 25 DC H41 H 1 8.40 0.01 . 1 . . . . A 25 DC H41 . 36699 1 235 . 1 . 1 25 25 DC H42 H 1 6.90 0.01 . 1 . . . . A 25 DC H42 . 36699 1 236 . 1 . 1 25 25 DC H5 H 1 5.68 0.01 . 1 . . . . A 25 DC H5 . 36699 1 237 . 1 . 1 25 25 DC H5' H 1 4.10 0.01 . 1 . . . . A 25 DC H5' . 36699 1 238 . 1 . 1 25 25 DC H5'' H 1 4.18 0.01 . 1 . . . . A 25 DC H5'' . 36699 1 239 . 1 . 1 25 25 DC H6 H 1 7.60 0.01 . 1 . . . . A 25 DC H6 . 36699 1 240 . 1 . 1 26 26 DC H1' H 1 6.24 0.01 . 1 . . . . A 26 DC H1' . 36699 1 241 . 1 . 1 26 26 DC H2' H 1 2.26 0.01 . 1 . . . . A 26 DC H2' . 36699 1 242 . 1 . 1 26 26 DC H2'' H 1 2.26 0.01 . 1 . . . . A 26 DC H2'' . 36699 1 243 . 1 . 1 26 26 DC H3' H 1 4.55 0.01 . 1 . . . . A 26 DC H3' . 36699 1 244 . 1 . 1 26 26 DC H4' H 1 4.04 0.01 . 1 . . . . A 26 DC H4' . 36699 1 245 . 1 . 1 26 26 DC H42 H 1 7.10 0.01 . 1 . . . . A 26 DC H42 . 36699 1 246 . 1 . 1 26 26 DC H5 H 1 5.80 0.01 . 1 . . . . A 26 DC H5 . 36699 1 247 . 1 . 1 26 26 DC H5' H 1 4.04 0.01 . 1 . . . . A 26 DC H5' . 36699 1 248 . 1 . 1 26 26 DC H5'' H 1 4.14 0.01 . 1 . . . . A 26 DC H5'' . 36699 1 249 . 1 . 1 26 26 DC H6 H 1 7.67 0.01 . 1 . . . . A 26 DC H6 . 36699 1 stop_ save_