################################### # 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_starch_output _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode starch_output _Assigned_chem_shift_list.Entry_ID 36674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $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' 1 $sample_1 anisotropic 36674 1 2 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36674 1 3 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36674 1 4 '2D 1H-13C HSQC' 1 $sample_1 anisotropic 36674 1 5 '2D 1H-13C HSQC' 1 $sample_1 anisotropic 36674 1 6 '2D DQF-COSY' 1 $sample_1 anisotropic 36674 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 5.68 . . 1 . . . . X 1 DT H1' . 36674 1 2 . 1 . 1 1 1 DT H2' H 1 1.90 . . . . . . . X 1 DT H2' . 36674 1 3 . 1 . 1 1 1 DT H2'' H 1 2.14 . . . . . . . X 1 DT H2'' . 36674 1 4 . 1 . 1 1 1 DT H3' H 1 4.48 . . 1 . . . . X 1 DT H3' . 36674 1 5 . 1 . 1 1 1 DT H4' H 1 3.71 . . 1 . . . . X 1 DT H4' . 36674 1 6 . 1 . 1 1 1 DT H5' H 1 3.50 . . . . . . . X 1 DT H5' . 36674 1 7 . 1 . 1 1 1 DT H5'' H 1 3.50 . . . . . . . X 1 DT H5'' . 36674 1 8 . 1 . 1 1 1 DT H6 H 1 7.26 . . 1 . . . . X 1 DT H6 . 36674 1 9 . 1 . 1 1 1 DT H71 H 1 1.60 . . 1 . . . . X 1 DT H71 . 36674 1 10 . 1 . 1 1 1 DT H72 H 1 1.60 . . 1 . . . . X 1 DT H72 . 36674 1 11 . 1 . 1 1 1 DT H73 H 1 1.60 . . 1 . . . . X 1 DT H73 . 36674 1 12 . 1 . 1 2 2 DC H1' H 1 5.85 . . 1 . . . . X 2 DC H1' . 36674 1 13 . 1 . 1 2 2 DC H2' H 1 1.92 . . . . . . . X 2 DC H2' . 36674 1 14 . 1 . 1 2 2 DC H2'' H 1 2.34 . . . . . . . X 2 DC H2'' . 36674 1 15 . 1 . 1 2 2 DC H3' H 1 4.67 . . 1 . . . . X 2 DC H3' . 36674 1 16 . 1 . 1 2 2 DC H4' H 1 4.14 . . 1 . . . . X 2 DC H4' . 36674 1 17 . 1 . 1 2 2 DC H5 H 1 5.60 . . 1 . . . . X 2 DC H5 . 36674 1 18 . 1 . 1 2 2 DC H5' H 1 3.63 . . . . . . . X 2 DC H5' . 36674 1 19 . 1 . 1 2 2 DC H5'' H 1 3.78 . . . . . . . X 2 DC H5'' . 36674 1 20 . 1 . 1 2 2 DC H6 H 1 7.47 . . 1 . . . . X 2 DC H6 . 36674 1 21 . 1 . 1 3 3 DT H1' H 1 6.22 . . 1 . . . . X 3 DT H1' . 36674 1 22 . 1 . 1 3 3 DT H2' H 1 2.37 . . . . . . . X 3 DT H2' . 36674 1 23 . 1 . 1 3 3 DT H2'' H 1 2.58 . . . . . . . X 3 DT H2'' . 36674 1 24 . 1 . 1 3 3 DT H3' H 1 4.82 . . 1 . . . . X 3 DT H3' . 36674 1 25 . 1 . 1 3 3 DT H4' H 1 4.21 . . 1 . . . . X 3 DT H4' . 36674 1 26 . 1 . 1 3 3 DT H5' H 1 3.88 . . . . . . . X 3 DT H5' . 36674 1 27 . 1 . 1 3 3 DT H5'' H 1 3.95 . . . . . . . X 3 DT H5'' . 36674 1 28 . 1 . 1 3 3 DT H6 H 1 7.52 . . 1 . . . . X 3 DT H6 . 36674 1 29 . 1 . 1 3 3 DT H71 H 1 1.71 . . 1 . . . . X 3 DT H71 . 36674 1 30 . 1 . 1 3 3 DT H72 H 1 1.71 . . 1 . . . . X 3 DT H72 . 36674 1 31 . 1 . 1 3 3 DT H73 H 1 1.71 . . 1 . . . . X 3 DT H73 . 36674 1 32 . 1 . 1 4 4 DG H1 H 1 11.53 . . 1 . . . . X 4 DG H1 . 36674 1 33 . 1 . 1 4 4 DG H1' H 1 6.08 . . 1 . . . . X 4 DG H1' . 36674 1 34 . 1 . 1 4 4 DG H2' H 1 2.69 . . . . . . . X 4 DG H2' . 36674 1 35 . 1 . 1 4 4 DG H2'' H 1 3.00 . . . . . . . X 4 DG H2'' . 36674 1 36 . 1 . 1 4 4 DG H3' H 1 4.95 . . 1 . . . . X 4 DG H3' . 36674 1 37 . 1 . 1 4 4 DG H4' H 1 4.46 . . 1 . . . . X 4 DG H4' . 36674 1 38 . 1 . 1 4 4 DG H5' H 1 4.15 . . . . . . . X 4 DG H5' . 36674 1 39 . 1 . 1 4 4 DG H5'' H 1 4.20 . . . . . . . X 4 DG H5'' . 36674 1 40 . 1 . 1 4 4 DG H8 H 1 8.05 . . 1 . . . . X 4 DG H8 . 36674 1 41 . 1 . 1 5 5 DG H1 H 1 11.02 . . 1 . . . . X 5 DG H1 . 36674 1 42 . 1 . 1 5 5 DG H1' H 1 6.15 . . 1 . . . . X 5 DG H1' . 36674 1 43 . 1 . 1 5 5 DG H2' H 1 2.61 . . . . . . . X 5 DG H2' . 36674 1 44 . 1 . 1 5 5 DG H2'' H 1 2.92 . . . . . . . X 5 DG H2'' . 36674 1 45 . 1 . 1 5 5 DG H3' H 1 5.03 . . 1 . . . . X 5 DG H3' . 36674 1 46 . 1 . 1 5 5 DG H4' H 1 4.55 . . 1 . . . . X 5 DG H4' . 36674 1 47 . 1 . 1 5 5 DG H5' H 1 4.31 . . . . . . . X 5 DG H5' . 36674 1 48 . 1 . 1 5 5 DG H5'' H 1 4.35 . . . . . . . X 5 DG H5'' . 36674 1 49 . 1 . 1 5 5 DG H8 H 1 7.68 . . 1 . . . . X 5 DG H8 . 36674 1 50 . 1 . 1 6 6 DG H1 H 1 10.66 . . 1 . . . . X 6 DG H1 . 36674 1 51 . 1 . 1 6 6 DG H1' H 1 6.37 . . 1 . . . . X 6 DG H1' . 36674 1 52 . 1 . 1 6 6 DG H2' H 1 2.77 . . . . . . . X 6 DG H2' . 36674 1 53 . 1 . 1 6 6 DG H2'' H 1 2.66 . . . . . . . X 6 DG H2'' . 36674 1 54 . 1 . 1 6 6 DG H3' H 1 5.15 . . 1 . . . . X 6 DG H3' . 36674 1 55 . 1 . 1 6 6 DG H4' H 1 4.61 . . 1 . . . . X 6 DG H4' . 36674 1 56 . 1 . 1 6 6 DG H5' H 1 4.31 . . . . . . . X 6 DG H5' . 36674 1 57 . 1 . 1 6 6 DG H5'' H 1 4.35 . . . . . . . X 6 DG H5'' . 36674 1 58 . 1 . 1 6 6 DG H8 H 1 7.68 . . 1 . . . . X 6 DG H8 . 36674 1 59 . 1 . 1 7 7 DC H1' H 1 6.50 . . 1 . . . . X 7 DC H1' . 36674 1 60 . 1 . 1 7 7 DC H2' H 1 2.42 . . . . . . . X 7 DC H2' . 36674 1 61 . 1 . 1 7 7 DC H2'' H 1 2.74 . . . . . . . X 7 DC H2'' . 36674 1 62 . 1 . 1 7 7 DC H3' H 1 5.09 . . 1 . . . . X 7 DC H3' . 36674 1 63 . 1 . 1 7 7 DC H4' H 1 4.61 . . 1 . . . . X 7 DC H4' . 36674 1 64 . 1 . 1 7 7 DC H5 H 1 6.21 . . 1 . . . . X 7 DC H5 . 36674 1 65 . 1 . 1 7 7 DC H5' H 1 4.30 . . . . . . . X 7 DC H5' . 36674 1 66 . 1 . 1 7 7 DC H5'' H 1 4.39 . . . . . . . X 7 DC H5'' . 36674 1 67 . 1 . 1 7 7 DC H6 H 1 8.06 . . 1 . . . . X 7 DC H6 . 36674 1 68 . 1 . 1 8 8 DG H1 H 1 11.23 . . 1 . . . . X 8 DG H1 . 36674 1 69 . 1 . 1 8 8 DG H1' H 1 6.02 . . 1 . . . . X 8 DG H1' . 36674 1 70 . 1 . 1 8 8 DG H2' H 1 2.40 . . . . . . . X 8 DG H2' . 36674 1 71 . 1 . 1 8 8 DG H2'' H 1 2.84 . . . . . . . X 8 DG H2'' . 36674 1 72 . 1 . 1 8 8 DG H3' H 1 5.09 . . 1 . . . . X 8 DG H3' . 36674 1 73 . 1 . 1 8 8 DG H4' H 1 4.46 . . 1 . . . . X 8 DG H4' . 36674 1 74 . 1 . 1 8 8 DG H5' H 1 4.26 . . . . . . . X 8 DG H5' . 36674 1 75 . 1 . 1 8 8 DG H5'' H 1 4.33 . . . . . . . X 8 DG H5'' . 36674 1 76 . 1 . 1 8 8 DG H8 H 1 7.90 . . 1 . . . . X 8 DG H8 . 36674 1 77 . 1 . 1 9 9 DG H1 H 1 11.27 . . 1 . . . . X 9 DG H1 . 36674 1 78 . 1 . 1 9 9 DG H1' H 1 6.35 . . 1 . . . . X 9 DG H1' . 36674 1 79 . 1 . 1 9 9 DG H2' H 1 2.67 . . . . . . . X 9 DG H2' . 36674 1 80 . 1 . 1 9 9 DG H2'' H 1 2.70 . . . . . . . X 9 DG H2'' . 36674 1 81 . 1 . 1 9 9 DG H3' H 1 4.99 . . 1 . . . . X 9 DG H3' . 36674 1 82 . 1 . 1 9 9 DG H4' H 1 4.48 . . 1 . . . . X 9 DG H4' . 36674 1 83 . 1 . 1 9 9 DG H5' H 1 4.16 . . . . . . . X 9 DG H5' . 36674 1 84 . 1 . 1 9 9 DG H5'' H 1 4.20 . . . . . . . X 9 DG H5'' . 36674 1 85 . 1 . 1 9 9 DG H8 H 1 7.80 . . 1 . . . . X 9 DG H8 . 36674 1 86 . 1 . 1 10 10 DG H1 H 1 10.97 . . 1 . . . . X 10 DG H1 . 36674 1 87 . 1 . 1 10 10 DG H1' H 1 6.03 . . 1 . . . . X 10 DG H1' . 36674 1 88 . 1 . 1 10 10 DG H2' H 1 2.63 . . . . . . . X 10 DG H2' . 36674 1 89 . 1 . 1 10 10 DG H2'' H 1 2.77 . . . . . . . X 10 DG H2'' . 36674 1 90 . 1 . 1 10 10 DG H3' H 1 5.01 . . 1 . . . . X 10 DG H3' . 36674 1 91 . 1 . 1 10 10 DG H4' H 1 4.45 . . 1 . . . . X 10 DG H4' . 36674 1 92 . 1 . 1 10 10 DG H5' H 1 4.24 . . . . . . . X 10 DG H5' . 36674 1 93 . 1 . 1 10 10 DG H5'' H 1 4.29 . . . . . . . X 10 DG H5'' . 36674 1 94 . 1 . 1 10 10 DG H8 H 1 7.80 . . 1 . . . . X 10 DG H8 . 36674 1 95 . 1 . 1 11 11 DC H1' H 1 6.26 . . 1 . . . . X 11 DC H1' . 36674 1 96 . 1 . 1 11 11 DC H2' H 1 2.24 . . . . . . . X 11 DC H2' . 36674 1 97 . 1 . 1 11 11 DC H2'' H 1 2.55 . . . . . . . X 11 DC H2'' . 36674 1 98 . 1 . 1 11 11 DC H3' H 1 4.79 . . 1 . . . . X 11 DC H3' . 36674 1 99 . 1 . 1 11 11 DC H4' H 1 4.11 . . 1 . . . . X 11 DC H4' . 36674 1 100 . 1 . 1 11 11 DC H5 H 1 6.14 . . 1 . . . . X 11 DC H5 . 36674 1 101 . 1 . 1 11 11 DC H5' H 1 3.85 . . . . . . . X 11 DC H5' . 36674 1 102 . 1 . 1 11 11 DC H5'' H 1 3.94 . . . . . . . X 11 DC H5'' . 36674 1 103 . 1 . 1 11 11 DC H6 H 1 7.88 . . 1 . . . . X 11 DC H6 . 36674 1 104 . 1 . 1 12 12 DG H1' H 1 6.13 . . 1 . . . . X 12 DG H1' . 36674 1 105 . 1 . 1 12 12 DG H2' H 1 2.66 . . . . . . . X 12 DG H2' . 36674 1 106 . 1 . 1 12 12 DG H2'' H 1 2.66 . . . . . . . X 12 DG H2'' . 36674 1 107 . 1 . 1 12 12 DG H3' H 1 5.00 . . 1 . . . . X 12 DG H3' . 36674 1 108 . 1 . 1 12 12 DG H4' H 1 4.42 . . 1 . . . . X 12 DG H4' . 36674 1 109 . 1 . 1 12 12 DG H5' H 1 4.12 . . . . . . . X 12 DG H5' . 36674 1 110 . 1 . 1 12 12 DG H5'' H 1 4.23 . . . . . . . X 12 DG H5'' . 36674 1 111 . 1 . 1 12 12 DG H8 H 1 7.98 . . 1 . . . . X 12 DG H8 . 36674 1 112 . 1 . 1 13 13 DA H1' H 1 6.52 . . 1 . . . . X 13 DA H1' . 36674 1 113 . 1 . 1 13 13 DA H2 H 1 8.18 . . 1 . . . . X 13 DA H2 . 36674 1 114 . 1 . 1 13 13 DA H2' H 1 2.80 . . . . . . . X 13 DA H2' . 36674 1 115 . 1 . 1 13 13 DA H2'' H 1 2.80 . . . . . . . X 13 DA H2'' . 36674 1 116 . 1 . 1 13 13 DA H3' H 1 5.11 . . 1 . . . . X 13 DA H3' . 36674 1 117 . 1 . 1 13 13 DA H4' H 1 4.58 . . 1 . . . . X 13 DA H4' . 36674 1 118 . 1 . 1 13 13 DA H5' H 1 4.23 . . . . . . . X 13 DA H5' . 36674 1 119 . 1 . 1 13 13 DA H5'' H 1 4.26 . . . . . . . X 13 DA H5'' . 36674 1 120 . 1 . 1 13 13 DA H8 H 1 8.47 . . 1 . . . . X 13 DA H8 . 36674 1 121 . 1 . 1 14 14 DG H1 H 1 11.40 . . 1 . . . . X 14 DG H1 . 36674 1 122 . 1 . 1 14 14 DG H1' H 1 6.10 . . 1 . . . . X 14 DG H1' . 36674 1 123 . 1 . 1 14 14 DG H2' H 1 2.64 . . . . . . . X 14 DG H2' . 36674 1 124 . 1 . 1 14 14 DG H2'' H 1 2.94 . . . . . . . X 14 DG H2'' . 36674 1 125 . 1 . 1 14 14 DG H3' H 1 5.02 . . 1 . . . . X 14 DG H3' . 36674 1 126 . 1 . 1 14 14 DG H4' H 1 4.51 . . 1 . . . . X 14 DG H4' . 36674 1 127 . 1 . 1 14 14 DG H5' H 1 4.21 . . . . . . . X 14 DG H5' . 36674 1 128 . 1 . 1 14 14 DG H5'' H 1 4.21 . . . . . . . X 14 DG H5'' . 36674 1 129 . 1 . 1 14 14 DG H8 H 1 8.02 . . 1 . . . . X 14 DG H8 . 36674 1 130 . 1 . 1 15 15 DG H1 H 1 11.08 . . 1 . . . . X 15 DG H1 . 36674 1 131 . 1 . 1 15 15 DG H1' H 1 6.17 . . 1 . . . . X 15 DG H1' . 36674 1 132 . 1 . 1 15 15 DG H2' H 1 2.64 . . . . . . . X 15 DG H2' . 36674 1 133 . 1 . 1 15 15 DG H2'' H 1 2.97 . . . . . . . X 15 DG H2'' . 36674 1 134 . 1 . 1 15 15 DG H3' H 1 5.03 . . 1 . . . . X 15 DG H3' . 36674 1 135 . 1 . 1 15 15 DG H4' H 1 4.56 . . 1 . . . . X 15 DG H4' . 36674 1 136 . 1 . 1 15 15 DG H5' H 1 4.30 . . . . . . . X 15 DG H5' . 36674 1 137 . 1 . 1 15 15 DG H5'' H 1 4.30 . . . . . . . X 15 DG H5'' . 36674 1 138 . 1 . 1 15 15 DG H8 H 1 7.72 . . 1 . . . . X 15 DG H8 . 36674 1 139 . 1 . 1 16 16 DG H1 H 1 10.71 . . 1 . . . . X 16 DG H1 . 36674 1 140 . 1 . 1 16 16 DG H1' H 1 6.42 . . 1 . . . . X 16 DG H1' . 36674 1 141 . 1 . 1 16 16 DG H2' H 1 2.80 . . . . . . . X 16 DG H2' . 36674 1 142 . 1 . 1 16 16 DG H2'' H 1 2.68 . . . . . . . X 16 DG H2'' . 36674 1 143 . 1 . 1 16 16 DG H3' H 1 5.16 . . 1 . . . . X 16 DG H3' . 36674 1 144 . 1 . 1 16 16 DG H4' H 1 4.63 . . 1 . . . . X 16 DG H4' . 36674 1 145 . 1 . 1 16 16 DG H5' H 1 4.32 . . . . . . . X 16 DG H5' . 36674 1 146 . 1 . 1 16 16 DG H5'' H 1 4.38 . . . . . . . X 16 DG H5'' . 36674 1 147 . 1 . 1 16 16 DG H8 H 1 7.78 . . 1 . . . . X 16 DG H8 . 36674 1 148 . 1 . 1 17 17 DC H1' H 1 6.50 . . 1 . . . . X 17 DC H1' . 36674 1 149 . 1 . 1 17 17 DC H2' H 1 2.43 . . . . . . . X 17 DC H2' . 36674 1 150 . 1 . 1 17 17 DC H2'' H 1 2.74 . . . . . . . X 17 DC H2'' . 36674 1 151 . 1 . 1 17 17 DC H3' H 1 5.09 . . 1 . . . . X 17 DC H3' . 36674 1 152 . 1 . 1 17 17 DC H4' H 1 4.60 . . 1 . . . . X 17 DC H4' . 36674 1 153 . 1 . 1 17 17 DC H5 H 1 6.21 . . 1 . . . . X 17 DC H5 . 36674 1 154 . 1 . 1 17 17 DC H5' H 1 4.31 . . . . . . . X 17 DC H5' . 36674 1 155 . 1 . 1 17 17 DC H5'' H 1 4.40 . . . . . . . X 17 DC H5'' . 36674 1 156 . 1 . 1 17 17 DC H6 H 1 8.06 . . 1 . . . . X 17 DC H6 . 36674 1 157 . 1 . 1 18 18 DG H1 H 1 11.38 . . 1 . . . . X 18 DG H1 . 36674 1 158 . 1 . 1 18 18 DG H1' H 1 6.05 . . 1 . . . . X 18 DG H1' . 36674 1 159 . 1 . 1 18 18 DG H2' H 1 2.38 . . . . . . . X 18 DG H2' . 36674 1 160 . 1 . 1 18 18 DG H2'' H 1 2.84 . . . . . . . X 18 DG H2'' . 36674 1 161 . 1 . 1 18 18 DG H3' H 1 5.11 . . 1 . . . . X 18 DG H3' . 36674 1 162 . 1 . 1 18 18 DG H4' H 1 4.44 . . 1 . . . . X 18 DG H4' . 36674 1 163 . 1 . 1 18 18 DG H5' H 1 4.26 . . . . . . . X 18 DG H5' . 36674 1 164 . 1 . 1 18 18 DG H5'' H 1 4.33 . . . . . . . X 18 DG H5'' . 36674 1 165 . 1 . 1 18 18 DG H8 H 1 7.88 . . 1 . . . . X 18 DG H8 . 36674 1 166 . 1 . 1 19 19 DG H1 H 1 11.25 . . 1 . . . . X 19 DG H1 . 36674 1 167 . 1 . 1 19 19 DG H1' H 1 6.02 . . 1 . . . . X 19 DG H1' . 36674 1 168 . 1 . 1 19 19 DG H2' H 1 2.71 . . . . . . . X 19 DG H2' . 36674 1 169 . 1 . 1 19 19 DG H2'' H 1 2.65 . . . . . . . X 19 DG H2'' . 36674 1 170 . 1 . 1 19 19 DG H3' H 1 5.10 . . 1 . . . . X 19 DG H3' . 36674 1 171 . 1 . 1 19 19 DG H4' H 1 4.51 . . 1 . . . . X 19 DG H4' . 36674 1 172 . 1 . 1 19 19 DG H5' H 1 4.22 . . . . . . . X 19 DG H5' . 36674 1 173 . 1 . 1 19 19 DG H5'' H 1 4.30 . . . . . . . X 19 DG H5'' . 36674 1 174 . 1 . 1 19 19 DG H8 H 1 7.86 . . 1 . . . . X 19 DG H8 . 36674 1 175 . 1 . 1 20 20 DG H1 H 1 10.70 . . 1 . . . . X 20 DG H1 . 36674 1 176 . 1 . 1 20 20 DG H1' H 1 6.12 . . 1 . . . . X 20 DG H1' . 36674 1 177 . 1 . 1 20 20 DG H2' H 1 2.19 . . . . . . . X 20 DG H2' . 36674 1 178 . 1 . 1 20 20 DG H2'' H 1 2.38 . . . . . . . X 20 DG H2'' . 36674 1 179 . 1 . 1 20 20 DG H3' H 1 5.02 . . 1 . . . . X 20 DG H3' . 36674 1 180 . 1 . 1 20 20 DG H4' H 1 4.45 . . 1 . . . . X 20 DG H4' . 36674 1 181 . 1 . 1 20 20 DG H5' H 1 4.21 . . . . . . . X 20 DG H5' . 36674 1 182 . 1 . 1 20 20 DG H5'' H 1 4.27 . . . . . . . X 20 DG H5'' . 36674 1 183 . 1 . 1 20 20 DG H8 H 1 7.48 . . 1 . . . . X 20 DG H8 . 36674 1 184 . 1 . 1 21 21 DA H1' H 1 6.12 . . 1 . . . . X 21 DA H1' . 36674 1 185 . 1 . 1 21 21 DA H2 H 1 7.71 . . 1 . . . . X 21 DA H2 . 36674 1 186 . 1 . 1 21 21 DA H2' H 1 2.66 . . . . . . . X 21 DA H2' . 36674 1 187 . 1 . 1 21 21 DA H2'' H 1 2.65 . . . . . . . X 21 DA H2'' . 36674 1 188 . 1 . 1 21 21 DA H3' H 1 4.98 . . 1 . . . . X 21 DA H3' . 36674 1 189 . 1 . 1 21 21 DA H4' H 1 4.40 . . 1 . . . . X 21 DA H4' . 36674 1 190 . 1 . 1 21 21 DA H5' H 1 4.08 . . . . . . . X 21 DA H5' . 36674 1 191 . 1 . 1 21 21 DA H5'' H 1 4.15 . . . . . . . X 21 DA H5'' . 36674 1 192 . 1 . 1 21 21 DA H8 H 1 8.28 . . 1 . . . . X 21 DA H8 . 36674 1 193 . 1 . 1 22 22 DG H1' H 1 5.76 . . 1 . . . . X 22 DG H1' . 36674 1 194 . 1 . 1 22 22 DG H2' H 1 2.48 . . . . . . . X 22 DG H2' . 36674 1 195 . 1 . 1 22 22 DG H2'' H 1 2.37 . . . . . . . X 22 DG H2'' . 36674 1 196 . 1 . 1 22 22 DG H3' H 1 4.79 . . 1 . . . . X 22 DG H3' . 36674 1 197 . 1 . 1 22 22 DG H4' H 1 4.14 . . 1 . . . . X 22 DG H4' . 36674 1 198 . 1 . 1 22 22 DG H5' H 1 4.04 . . . . . . . X 22 DG H5' . 36674 1 199 . 1 . 1 22 22 DG H5'' H 1 4.04 . . . . . . . X 22 DG H5'' . 36674 1 200 . 1 . 1 22 22 DG H8 H 1 7.71 . . 1 . . . . X 22 DG H8 . 36674 1 201 . 1 . 1 23 23 DC H1' H 1 6.03 . . 1 . . . . X 23 DC H1' . 36674 1 202 . 1 . 1 23 23 DC H2' H 1 2.06 . . . . . . . X 23 DC H2' . 36674 1 203 . 1 . 1 23 23 DC H2'' H 1 2.20 . . . . . . . X 23 DC H2'' . 36674 1 204 . 1 . 1 23 23 DC H3' H 1 4.39 . . 1 . . . . X 23 DC H3' . 36674 1 205 . 1 . 1 23 23 DC H4' H 1 3.92 . . 1 . . . . X 23 DC H4' . 36674 1 206 . 1 . 1 23 23 DC H5 H 1 5.74 . . 1 . . . . X 23 DC H5 . 36674 1 207 . 1 . 1 23 23 DC H5' H 1 3.92 . . . . . . . X 23 DC H5' . 36674 1 208 . 1 . 1 23 23 DC H5'' H 1 3.92 . . . . . . . X 23 DC H5'' . 36674 1 209 . 1 . 1 23 23 DC H6 H 1 7.61 . . 1 . . . . X 23 DC H6 . 36674 1 210 . 2 . 2 1 1 BER H101 H 1 2.78 . . . . . . . X 101 BER H101 . 36674 1 211 . 2 . 2 1 1 BER H102 H 1 2.84 . . . . . . . X 101 BER H102 . 36674 1 212 . 2 . 2 1 1 BER H131 H 1 7.35 . . 1 . . . . X 101 BER H131 . 36674 1 213 . 2 . 2 1 1 BER H161 H 1 7.52 . . 1 . . . . X 101 BER H161 . 36674 1 214 . 2 . 2 1 1 BER H171 H 1 5.86 . . . . . . . X 101 BER H171 . 36674 1 215 . 2 . 2 1 1 BER H172 H 1 5.88 . . . . . . . X 101 BER H172 . 36674 1 216 . 2 . 2 1 1 BER H191 H 1 3.80 . . 1 . . . . X 101 BER H191 . 36674 1 217 . 2 . 2 1 1 BER H192 H 1 3.80 . . 1 . . . . X 101 BER H192 . 36674 1 218 . 2 . 2 1 1 BER H193 H 1 3.80 . . 1 . . . . X 101 BER H193 . 36674 1 219 . 2 . 2 1 1 BER H201 H 1 3.87 . . 1 . . . . X 101 BER H201 . 36674 1 220 . 2 . 2 1 1 BER H202 H 1 3.87 . . 1 . . . . X 101 BER H202 . 36674 1 221 . 2 . 2 1 1 BER H203 H 1 3.87 . . 1 . . . . X 101 BER H203 . 36674 1 222 . 2 . 2 1 1 BER H31 H 1 7.98 . . 1 . . . . X 101 BER H31 . 36674 1 223 . 2 . 2 1 1 BER H51 H 1 6.82 . . 1 . . . . X 101 BER H51 . 36674 1 224 . 2 . 2 1 1 BER H61 H 1 9.13 . . 1 . . . . X 101 BER H61 . 36674 1 225 . 2 . 2 1 1 BER H71 H 1 4.65 . . . . . . . X 101 BER H71 . 36674 1 226 . 2 . 2 1 1 BER H72 H 1 4.65 . . . . . . . X 101 BER H72 . 36674 1 227 . 2 . 2 1 1 BER H91 H 1 6.21 . . 1 . . . . X 101 BER H91 . 36674 1 228 . 3 . 2 2 2 BER H101 H 1 2.78 . . . . . . . X 102 BER H101 . 36674 1 229 . 3 . 2 2 2 BER H102 H 1 2.84 . . . . . . . X 102 BER H102 . 36674 1 230 . 3 . 2 2 2 BER H131 H 1 7.35 . . 1 . . . . X 102 BER H131 . 36674 1 231 . 3 . 2 2 2 BER H161 H 1 7.52 . . 1 . . . . X 102 BER H161 . 36674 1 232 . 3 . 2 2 2 BER H171 H 1 5.86 . . . . . . . X 102 BER H171 . 36674 1 233 . 3 . 2 2 2 BER H172 H 1 5.88 . . . . . . . X 102 BER H172 . 36674 1 234 . 3 . 2 2 2 BER H191 H 1 3.80 . . 1 . . . . X 102 BER H191 . 36674 1 235 . 3 . 2 2 2 BER H192 H 1 3.80 . . 1 . . . . X 102 BER H192 . 36674 1 236 . 3 . 2 2 2 BER H193 H 1 3.80 . . 1 . . . . X 102 BER H193 . 36674 1 237 . 3 . 2 2 2 BER H201 H 1 3.87 . . 1 . . . . X 102 BER H201 . 36674 1 238 . 3 . 2 2 2 BER H202 H 1 3.87 . . 1 . . . . X 102 BER H202 . 36674 1 239 . 3 . 2 2 2 BER H203 H 1 3.87 . . 1 . . . . X 102 BER H203 . 36674 1 240 . 3 . 2 2 2 BER H31 H 1 7.98 . . 1 . . . . X 102 BER H31 . 36674 1 241 . 3 . 2 2 2 BER H51 H 1 6.82 . . 1 . . . . X 102 BER H51 . 36674 1 242 . 3 . 2 2 2 BER H61 H 1 9.13 . . 1 . . . . X 102 BER H61 . 36674 1 243 . 3 . 2 2 2 BER H71 H 1 4.65 . . . . . . . X 102 BER H71 . 36674 1 244 . 3 . 2 2 2 BER H72 H 1 4.65 . . . . . . . X 102 BER H72 . 36674 1 245 . 3 . 2 2 2 BER H91 H 1 6.21 . . 1 . . . . X 102 BER H91 . 36674 1 stop_ save_