################################### # 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 25999 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 25999 1 4 '2D 1H-13C HSQC' 3 $sample_3 isotropic 25999 1 6 '2D 1H-13C HSQC' 4 $sample_4 isotropic 25999 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 G H1' H 1 5.88 0.03 . 1 . . . A 681 G H1' . 25999 1 2 . 1 1 1 1 G H2' H 1 4.96 0.03 . 1 . . . A 681 G H2' . 25999 1 3 . 1 1 1 1 G H3' H 1 4.76 0.03 . 1 . . . A 681 G H3' . 25999 1 4 . 1 1 1 1 G H4' H 1 4.60 0.03 . 1 . . . A 681 G H4' . 25999 1 5 . 1 1 1 1 G H5' H 1 4.46 0.03 . 2 . . . A 681 G H5' . 25999 1 6 . 1 1 1 1 G H5'' H 1 4.33 0.03 . 2 . . . A 681 G H5'' . 25999 1 7 . 1 1 1 1 G H8 H 1 8.17 0.03 . 1 . . . A 681 G H8 . 25999 1 8 . 1 1 1 1 G C1' C 13 88.58 0.1 . 1 . . . A 681 G C1' . 25999 1 9 . 1 1 1 1 G C2' C 13 72.57 0.1 . 1 . . . A 681 G C2' . 25999 1 10 . 1 1 1 1 G C3' C 13 72.36 0.1 . 1 . . . A 681 G C3' . 25999 1 11 . 1 1 1 1 G C4' C 13 80.86 0.1 . 1 . . . A 681 G C4' . 25999 1 12 . 1 1 1 1 G C5' C 13 64.78 0.1 . 1 . . . A 681 G C5' . 25999 1 13 . 1 1 1 1 G C8 C 13 136.44 0.1 . 1 . . . A 681 G C8 . 25999 1 14 . 1 1 2 2 G H1' H 1 5.97 0.03 . 1 . . . A 682 G H1' . 25999 1 15 . 1 1 2 2 G H2' H 1 4.74 0.03 . 1 . . . A 682 G H2' . 25999 1 16 . 1 1 2 2 G H3' H 1 4.61 0.03 . 1 . . . A 682 G H3' . 25999 1 17 . 1 1 2 2 G H4' H 1 4.59 0.03 . 1 . . . A 682 G H4' . 25999 1 18 . 1 1 2 2 G H5' H 1 4.33 0.03 . 2 . . . A 682 G H5' . 25999 1 19 . 1 1 2 2 G H5'' H 1 4.52 0.03 . 2 . . . A 682 G H5'' . 25999 1 20 . 1 1 2 2 G H8 H 1 7.62 0.03 . 1 . . . A 682 G H8 . 25999 1 21 . 1 1 2 2 G C1' C 13 90.12 0.1 . 1 . . . A 682 G C1' . 25999 1 22 . 1 1 2 2 G C2' C 13 72.94 0.1 . 1 . . . A 682 G C2' . 25999 1 23 . 1 1 2 2 G C3' C 13 70.68 0.1 . 1 . . . A 682 G C3' . 25999 1 24 . 1 1 2 2 G C4' C 13 79.79 0.1 . 1 . . . A 682 G C4' . 25999 1 25 . 1 1 2 2 G C5' C 13 63.82 0.1 . 1 . . . A 682 G C5' . 25999 1 26 . 1 1 2 2 G C8 C 13 134.28 0.1 . 1 . . . A 682 G C8 . 25999 1 27 . 1 1 3 3 G H1' H 1 5.82 0.03 . 1 . . . A 683 G H1' . 25999 1 28 . 1 1 3 3 G H2' H 1 4.55 0.03 . 1 . . . A 683 G H2' . 25999 1 29 . 1 1 3 3 G H3' H 1 4.46 0.03 . 1 . . . A 683 G H3' . 25999 1 30 . 1 1 3 3 G H4' H 1 4.52 0.03 . 1 . . . A 683 G H4' . 25999 1 31 . 1 1 3 3 G H8 H 1 7.32 0.03 . 1 . . . A 683 G H8 . 25999 1 32 . 1 1 3 3 G C1' C 13 90.38 0.1 . 1 . . . A 683 G C1' . 25999 1 33 . 1 1 3 3 G C2' C 13 72.77 0.1 . 1 . . . A 683 G C2' . 25999 1 34 . 1 1 3 3 G C3' C 13 70.38 0.1 . 1 . . . A 683 G C3' . 25999 1 35 . 1 1 3 3 G C4' C 13 79.47 0.1 . 1 . . . A 683 G C4' . 25999 1 36 . 1 1 3 3 G C8 C 13 133.41 0.1 . 1 . . . A 683 G C8 . 25999 1 37 . 1 1 4 4 C H1' H 1 5.58 0.03 . 1 . . . A 684 C H1' . 25999 1 38 . 1 1 4 4 C H2' H 1 4.66 0.03 . 1 . . . A 684 C H2' . 25999 1 39 . 1 1 4 4 C H3' H 1 4.31 0.03 . 1 . . . A 684 C H3' . 25999 1 40 . 1 1 4 4 C H4' H 1 4.44 0.03 . 1 . . . A 684 C H4' . 25999 1 41 . 1 1 4 4 C H5 H 1 5.19 0.03 . 1 . . . A 684 C H5 . 25999 1 42 . 1 1 4 4 C H6 H 1 7.54 0.03 . 1 . . . A 684 C H6 . 25999 1 43 . 1 1 4 4 C C1' C 13 91.25 0.1 . 1 . . . A 684 C C1' . 25999 1 44 . 1 1 4 4 C C2' C 13 72.79 0.1 . 1 . . . A 684 C C2' . 25999 1 45 . 1 1 4 4 C C3' C 13 69.65 0.1 . 1 . . . A 684 C C3' . 25999 1 46 . 1 1 4 4 C C4' C 13 79.30 0.1 . 1 . . . A 684 C C4' . 25999 1 47 . 1 1 4 4 C C5 C 13 94.61 0.1 . 1 . . . A 684 C C5 . 25999 1 48 . 1 1 4 4 C C6 C 13 138.16 0.1 . 1 . . . A 684 C C6 . 25999 1 49 . 1 1 5 5 U H1' H 1 5.61 0.03 . 1 . . . A 685 U H1' . 25999 1 50 . 1 1 5 5 U H2' H 1 4.42 0.03 . 1 . . . A 685 U H2' . 25999 1 51 . 1 1 5 5 U H3' H 1 4.41 0.03 . 1 . . . A 685 U H3' . 25999 1 52 . 1 1 5 5 U H4' H 1 4.44 0.03 . 1 . . . A 685 U H4' . 25999 1 53 . 1 1 5 5 U H5 H 1 5.62 0.03 . 1 . . . A 685 U H5 . 25999 1 54 . 1 1 5 5 U H5' H 1 4.11 0.03 . 2 . . . A 685 U H5' . 25999 1 55 . 1 1 5 5 U H5'' H 1 4.42 0.03 . 2 . . . A 685 U H5'' . 25999 1 56 . 1 1 5 5 U H6 H 1 7.66 0.03 . 1 . . . A 685 U H6 . 25999 1 57 . 1 1 5 5 U C1' C 13 91.66 0.1 . 1 . . . A 685 U C1' . 25999 1 58 . 1 1 5 5 U C2' C 13 72.87 0.1 . 1 . . . A 685 U C2' . 25999 1 59 . 1 1 5 5 U C3' C 13 70.49 0.1 . 1 . . . A 685 U C3' . 25999 1 60 . 1 1 5 5 U C4' C 13 80.14 0.1 . 1 . . . A 685 U C4' . 25999 1 61 . 1 1 5 5 U C5 C 13 102.44 0.1 . 1 . . . A 685 U C5 . 25999 1 62 . 1 1 5 5 U C5' C 13 63.10 0.1 . 1 . . . A 685 U C5' . 25999 1 63 . 1 1 5 5 U C6 C 13 138.18 0.1 . 1 . . . A 685 U C6 . 25999 1 64 . 1 1 6 6 G H1' H 1 5.38 0.03 . 1 . . . A 686 G H1' . 25999 1 65 . 1 1 6 6 G H2' H 1 4.19 0.03 . 1 . . . A 686 G H2' . 25999 1 66 . 1 1 6 6 G H3' H 1 4.63 0.03 . 1 . . . A 686 G H3' . 25999 1 67 . 1 1 6 6 G H4' H 1 4.47 0.03 . 1 . . . A 686 G H4' . 25999 1 68 . 1 1 6 6 G H5' H 1 4.45 0.03 . 2 . . . A 686 G H5' . 25999 1 69 . 1 1 6 6 G H5'' H 1 4.12 0.03 . 2 . . . A 686 G H5'' . 25999 1 70 . 1 1 6 6 G H8 H 1 7.75 0.03 . 1 . . . A 686 G H8 . 25999 1 71 . 1 1 6 6 G C1' C 13 88.64 0.1 . 1 . . . A 686 G C1' . 25999 1 72 . 1 1 6 6 G C2' C 13 73.27 0.1 . 1 . . . A 686 G C2' . 25999 1 73 . 1 1 6 6 G C3' C 13 72.54 0.1 . 1 . . . A 686 G C3' . 25999 1 74 . 1 1 6 6 G C4' C 13 81.09 0.1 . 1 . . . A 686 G C4' . 25999 1 75 . 1 1 6 6 G C5' C 13 63.40 0.1 . 1 . . . A 686 G C5' . 25999 1 76 . 1 1 6 6 G C8 C 13 135.31 0.1 . 1 . . . A 686 G C8 . 25999 1 77 . 1 1 7 7 A H1' H 1 5.79 0.03 . 1 . . . A 687 A H1' . 25999 1 78 . 1 1 7 7 A H2 H 1 7.59 0.03 . 1 . . . A 687 A H2 . 25999 1 79 . 1 1 7 7 A H2' H 1 4.50 0.03 . 1 . . . A 687 A H2' . 25999 1 80 . 1 1 7 7 A H3' H 1 4.69 0.03 . 1 . . . A 687 A H3' . 25999 1 81 . 1 1 7 7 A H4' H 1 4.55 0.03 . 1 . . . A 687 A H4' . 25999 1 82 . 1 1 7 7 A H5' H 1 4.30 0.03 . 2 . . . A 687 A H5' . 25999 1 83 . 1 1 7 7 A H5'' H 1 4.14 0.03 . 2 . . . A 687 A H5'' . 25999 1 84 . 1 1 7 7 A H8 H 1 8.04 0.03 . 1 . . . A 687 A H8 . 25999 1 85 . 1 1 7 7 A C1' C 13 87.07 0.1 . 1 . . . A 687 A C1' . 25999 1 86 . 1 1 7 7 A C2 C 13 151.93 0.1 . 1 . . . A 687 A C2 . 25999 1 87 . 1 1 7 7 A C2' C 13 73.93 0.1 . 1 . . . A 687 A C2' . 25999 1 88 . 1 1 7 7 A C3' C 13 73.96 0.1 . 1 . . . A 687 A C3' . 25999 1 89 . 1 1 7 7 A C4' C 13 82.53 0.1 . 1 . . . A 687 A C4' . 25999 1 90 . 1 1 7 7 A C5' C 13 65.28 0.1 . 1 . . . A 687 A C5' . 25999 1 91 . 1 1 7 7 A C8 C 13 138.82 0.1 . 1 . . . A 687 A C8 . 25999 1 92 . 1 1 8 8 A H1' H 1 6.03 0.03 . 1 . . . A 688 A H1' . 25999 1 93 . 1 1 8 8 A H2 H 1 8.19 0.03 . 1 . . . A 688 A H2 . 25999 1 94 . 1 1 8 8 A H2' H 1 4.91 0.03 . 1 . . . A 688 A H2' . 25999 1 95 . 1 1 8 8 A H3' H 1 4.81 0.03 . 1 . . . A 688 A H3' . 25999 1 96 . 1 1 8 8 A H4' H 1 4.67 0.03 . 1 . . . A 688 A H4' . 25999 1 97 . 1 1 8 8 A H5' H 1 4.43 0.03 . 2 . . . A 688 A H5' . 25999 1 98 . 1 1 8 8 A H5'' H 1 4.27 0.03 . 2 . . . A 688 A H5'' . 25999 1 99 . 1 1 8 8 A H8 H 1 8.39 0.03 . 1 . . . A 688 A H8 . 25999 1 100 . 1 1 8 8 A C1' C 13 88.07 0.1 . 1 . . . A 688 A C1' . 25999 1 101 . 1 1 8 8 A C2 C 13 152.68 0.1 . 1 . . . A 688 A C2 . 25999 1 102 . 1 1 8 8 A C2' C 13 73.66 0.1 . 1 . . . A 688 A C2' . 25999 1 103 . 1 1 8 8 A C3' C 13 73.56 0.1 . 1 . . . A 688 A C3' . 25999 1 104 . 1 1 8 8 A C4' C 13 81.85 0.1 . 1 . . . A 688 A C4' . 25999 1 105 . 1 1 8 8 A C5' C 13 64.54 0.1 . 1 . . . A 688 A C5' . 25999 1 106 . 1 1 8 8 A C8 C 13 139.41 0.1 . 1 . . . A 688 A C8 . 25999 1 107 . 1 1 9 9 G H1' H 1 5.65 0.03 . 1 . . . A 689 G H1' . 25999 1 108 . 1 1 9 9 G H2' H 1 4.79 0.03 . 1 . . . A 689 G H2' . 25999 1 109 . 1 1 9 9 G H3' H 1 4.66 0.03 . 1 . . . A 689 G H3' . 25999 1 110 . 1 1 9 9 G H4' H 1 4.60 0.03 . 1 . . . A 689 G H4' . 25999 1 111 . 1 1 9 9 G H5' H 1 4.48 0.03 . 2 . . . A 689 G H5' . 25999 1 112 . 1 1 9 9 G H5'' H 1 4.30 0.03 . 2 . . . A 689 G H5'' . 25999 1 113 . 1 1 9 9 G H8 H 1 7.89 0.03 . 1 . . . A 689 G H8 . 25999 1 114 . 1 1 9 9 G C1' C 13 89.56 0.1 . 1 . . . A 689 G C1' . 25999 1 115 . 1 1 9 9 G C2' C 13 72.79 0.1 . 1 . . . A 689 G C2' . 25999 1 116 . 1 1 9 9 G C3' C 13 71.46 0.1 . 1 . . . A 689 G C3' . 25999 1 117 . 1 1 9 9 G C4' C 13 80.35 0.1 . 1 . . . A 689 G C4' . 25999 1 118 . 1 1 9 9 G C5' C 13 64.19 0.1 . 1 . . . A 689 G C5' . 25999 1 119 . 1 1 9 9 G C8 C 13 135.59 0.1 . 1 . . . A 689 G C8 . 25999 1 120 . 1 1 10 10 G H1' H 1 5.66 0.03 . 1 . . . A 690 G H1' . 25999 1 121 . 1 1 10 10 G H2' H 1 4.55 0.03 . 1 . . . A 690 G H2' . 25999 1 122 . 1 1 10 10 G H3' H 1 4.71 0.03 . 1 . . . A 690 G H3' . 25999 1 123 . 1 1 10 10 G H4' H 1 4.55 0.03 . 1 . . . A 690 G H4' . 25999 1 124 . 1 1 10 10 G H5' H 1 4.19 0.03 . 2 . . . A 690 G H5' . 25999 1 125 . 1 1 10 10 G H5'' H 1 4.49 0.03 . 2 . . . A 690 G H5'' . 25999 1 126 . 1 1 10 10 G H8 H 1 7.33 0.03 . 1 . . . A 690 G H8 . 25999 1 127 . 1 1 10 10 G C1' C 13 90.25 0.1 . 1 . . . A 690 G C1' . 25999 1 128 . 1 1 10 10 G C2' C 13 70.57 0.1 . 1 . . . A 690 G C2' . 25999 1 129 . 1 1 10 10 G C3' C 13 72.67 0.1 . 1 . . . A 690 G C3' . 25999 1 130 . 1 1 10 10 G C4' C 13 79.65 0.1 . 1 . . . A 690 G C4' . 25999 1 131 . 1 1 10 10 G C5' C 13 63.24 0.1 . 1 . . . A 690 G C5' . 25999 1 132 . 1 1 10 10 G C8 C 13 133.98 0.1 . 1 . . . A 690 G C8 . 25999 1 133 . 1 1 11 11 A H1' H 1 6.05 0.03 . 1 . . . A 691 A H1' . 25999 1 134 . 1 1 11 11 A H2 H 1 7.88 0.03 . 1 . . . A 691 A H2 . 25999 1 135 . 1 1 11 11 A H2' H 1 4.51 0.03 . 1 . . . A 691 A H2' . 25999 1 136 . 1 1 11 11 A H4' H 1 4.57 0.03 . 1 . . . A 691 A H4' . 25999 1 137 . 1 1 11 11 A H5' H 1 4.61 0.03 . 2 . . . A 691 A H5' . 25999 1 138 . 1 1 11 11 A H5'' H 1 4.17 0.03 . 2 . . . A 691 A H5'' . 25999 1 139 . 1 1 11 11 A H8 H 1 7.72 0.03 . 1 . . . A 691 A H8 . 25999 1 140 . 1 1 11 11 A C1' C 13 90.62 0.1 . 1 . . . A 691 A C1' . 25999 1 141 . 1 1 11 11 A C2 C 13 151.26 0.1 . 1 . . . A 691 A C2 . 25999 1 142 . 1 1 11 11 A C2' C 13 69.87 0.1 . 1 . . . A 691 A C2' . 25999 1 143 . 1 1 11 11 A C4' C 13 79.53 0.1 . 1 . . . A 691 A C4' . 25999 1 144 . 1 1 11 11 A C5' C 13 62.16 0.1 . 1 . . . A 691 A C5' . 25999 1 145 . 1 1 11 11 A C8 C 13 136.62 0.1 . 1 . . . A 691 A C8 . 25999 1 146 . 1 1 12 12 U H1' H 1 5.39 0.03 . 1 . . . A 692 U H1' . 25999 1 147 . 1 1 12 12 U H2' H 1 4.26 0.03 . 1 . . . A 692 U H2' . 25999 1 148 . 1 1 12 12 U H3' H 1 4.53 0.03 . 1 . . . A 692 U H3' . 25999 1 149 . 1 1 12 12 U H5 H 1 5.40 0.03 . 1 . . . A 692 U H5 . 25999 1 150 . 1 1 12 12 U H5' H 1 4.52 0.03 . 2 . . . A 692 U H5' . 25999 1 151 . 1 1 12 12 U H5'' H 1 4.11 0.03 . 2 . . . A 692 U H5'' . 25999 1 152 . 1 1 12 12 U H6 H 1 7.48 0.03 . 1 . . . A 692 U H6 . 25999 1 153 . 1 1 12 12 U C1' C 13 90.38 0.1 . 1 . . . A 692 U C1' . 25999 1 154 . 1 1 12 12 U C2' C 13 73.22 0.1 . 1 . . . A 692 U C2' . 25999 1 155 . 1 1 12 12 U C3' C 13 70.22 0.1 . 1 . . . A 692 U C3' . 25999 1 156 . 1 1 12 12 U C5 C 13 101.57 0.1 . 1 . . . A 692 U C5 . 25999 1 157 . 1 1 12 12 U C5' C 13 61.88 0.1 . 1 . . . A 692 U C5' . 25999 1 158 . 1 1 12 12 U C6 C 13 137.58 0.1 . 1 . . . A 692 U C6 . 25999 1 159 . 1 1 13 13 G H1' H 1 5.79 0.03 . 1 . . . A 693 G H1' . 25999 1 160 . 1 1 13 13 G H2' H 1 4.64 0.03 . 1 . . . A 693 G H2' . 25999 1 161 . 1 1 13 13 G H4' H 1 4.47 0.03 . 1 . . . A 693 G H4' . 25999 1 162 . 1 1 13 13 G H5' H 1 4.50 0.03 . 2 . . . A 693 G H5' . 25999 1 163 . 1 1 13 13 G H5'' H 1 4.18 0.03 . 2 . . . A 693 G H5'' . 25999 1 164 . 1 1 13 13 G H8 H 1 7.77 0.03 . 1 . . . A 693 G H8 . 25999 1 165 . 1 1 13 13 G C1' C 13 89.88 0.1 . 1 . . . A 693 G C1' . 25999 1 166 . 1 1 13 13 G C2' C 13 73.01 0.1 . 1 . . . A 693 G C2' . 25999 1 167 . 1 1 13 13 G C4' C 13 79.54 0.1 . 1 . . . A 693 G C4' . 25999 1 168 . 1 1 13 13 G C5' C 13 63.25 0.1 . 1 . . . A 693 G C5' . 25999 1 169 . 1 1 13 13 G C8 C 13 134.30 0.1 . 1 . . . A 693 G C8 . 25999 1 170 . 1 1 14 14 G H1' H 1 5.70 0.03 . 1 . . . A 694 G H1' . 25999 1 171 . 1 1 14 14 G H2' H 1 4.38 0.03 . 1 . . . A 694 G H2' . 25999 1 172 . 1 1 14 14 G H3' H 1 4.62 0.03 . 1 . . . A 694 G H3' . 25999 1 173 . 1 1 14 14 G H4' H 1 4.39 0.03 . 1 . . . A 694 G H4' . 25999 1 174 . 1 1 14 14 G H5' H 1 4.46 0.03 . 2 . . . A 694 G H5' . 25999 1 175 . 1 1 14 14 G H5'' H 1 4.15 0.03 . 2 . . . A 694 G H5'' . 25999 1 176 . 1 1 14 14 G H8 H 1 7.30 0.03 . 1 . . . A 694 G H8 . 25999 1 177 . 1 1 14 14 G C1' C 13 90.59 0.1 . 1 . . . A 694 G C1' . 25999 1 178 . 1 1 14 14 G C2' C 13 72.91 0.1 . 1 . . . A 694 G C2' . 25999 1 179 . 1 1 14 14 G C3' C 13 70.04 0.1 . 1 . . . A 694 G C3' . 25999 1 180 . 1 1 14 14 G C4' C 13 79.85 0.1 . 1 . . . A 694 G C4' . 25999 1 181 . 1 1 14 14 G C5' C 13 62.42 0.1 . 1 . . . A 694 G C5' . 25999 1 182 . 1 1 14 14 G C8 C 13 133.66 0.1 . 1 . . . A 694 G C8 . 25999 1 183 . 1 1 15 15 A H1' H 1 5.78 0.03 . 1 . . . A 695 A H1' . 25999 1 184 . 1 1 15 15 A H2 H 1 7.98 0.03 . 1 . . . A 695 A H2 . 25999 1 185 . 1 1 15 15 A H2' H 1 4.73 0.03 . 1 . . . A 695 A H2' . 25999 1 186 . 1 1 15 15 A H3' H 1 4.46 0.03 . 1 . . . A 695 A H3' . 25999 1 187 . 1 1 15 15 A H4' H 1 4.26 0.03 . 1 . . . A 695 A H4' . 25999 1 188 . 1 1 15 15 A H5' H 1 4.27 0.03 . 2 . . . A 695 A H5' . 25999 1 189 . 1 1 15 15 A H5'' H 1 3.95 0.03 . 2 . . . A 695 A H5'' . 25999 1 190 . 1 1 15 15 A H8 H 1 8.26 0.03 . 1 . . . A 695 A H8 . 25999 1 191 . 1 1 15 15 A C1' C 13 89.44 0.1 . 1 . . . A 695 A C1' . 25999 1 192 . 1 1 15 15 A C2 C 13 151.99 0.1 . 1 . . . A 695 A C2 . 25999 1 193 . 1 1 15 15 A C2' C 13 73.30 0.1 . 1 . . . A 695 A C2' . 25999 1 194 . 1 1 15 15 A C3' C 13 71.22 0.1 . 1 . . . A 695 A C3' . 25999 1 195 . 1 1 15 15 A C4' C 13 80.83 0.1 . 1 . . . A 695 A C4' . 25999 1 196 . 1 1 15 15 A C5' C 13 62.04 0.1 . 1 . . . A 695 A C5' . 25999 1 197 . 1 1 15 15 A C8 C 13 139.26 0.1 . 1 . . . A 695 A C8 . 25999 1 198 . 1 1 16 16 G H1' H 1 5.21 0.03 . 1 . . . A 696 G H1' . 25999 1 199 . 1 1 16 16 G H2' H 1 4.36 0.03 . 1 . . . A 696 G H2' . 25999 1 200 . 1 1 16 16 G H3' H 1 4.64 0.03 . 1 . . . A 696 G H3' . 25999 1 201 . 1 1 16 16 G H4' H 1 4.33 0.03 . 1 . . . A 696 G H4' . 25999 1 202 . 1 1 16 16 G H5' H 1 4.16 0.03 . 2 . . . A 696 G H5' . 25999 1 203 . 1 1 16 16 G H5'' H 1 3.99 0.03 . 2 . . . A 696 G H5'' . 25999 1 204 . 1 1 16 16 G H8 H 1 7.63 0.03 . 1 . . . A 696 G H8 . 25999 1 205 . 1 1 16 16 G C1' C 13 89.15 0.1 . 1 . . . A 696 G C1' . 25999 1 206 . 1 1 16 16 G C2' C 13 73.02 0.1 . 1 . . . A 696 G C2' . 25999 1 207 . 1 1 16 16 G C3' C 13 71.87 0.1 . 1 . . . A 696 G C3' . 25999 1 208 . 1 1 16 16 G C4' C 13 80.67 0.1 . 1 . . . A 696 G C4' . 25999 1 209 . 1 1 16 16 G C5' C 13 63.01 0.1 . 1 . . . A 696 G C5' . 25999 1 210 . 1 1 16 16 G C8 C 13 135.04 0.1 . 1 . . . A 696 G C8 . 25999 1 211 . 1 1 17 17 A H1' H 1 6.11 0.03 . 1 . . . A 697 A H1' . 25999 1 212 . 1 1 17 17 A H2 H 1 8.26 0.03 . 1 . . . A 697 A H2 . 25999 1 213 . 1 1 17 17 A H2' H 1 4.62 0.03 . 1 . . . A 697 A H2' . 25999 1 214 . 1 1 17 17 A H3' H 1 4.92 0.03 . 1 . . . A 697 A H3' . 25999 1 215 . 1 1 17 17 A H4' H 1 4.50 0.03 . 1 . . . A 697 A H4' . 25999 1 216 . 1 1 17 17 A H5' H 1 4.56 0.03 . 2 . . . A 697 A H5' . 25999 1 217 . 1 1 17 17 A H5'' H 1 4.28 0.03 . 2 . . . A 697 A H5'' . 25999 1 218 . 1 1 17 17 A H8 H 1 8.26 0.03 . 1 . . . A 697 A H8 . 25999 1 219 . 1 1 17 17 A C1' C 13 88.86 0.1 . 1 . . . A 697 A C1' . 25999 1 220 . 1 1 17 17 A C2 C 13 152.98 0.1 . 1 . . . A 697 A C2 . 25999 1 221 . 1 1 17 17 A C2' C 13 74.03 0.1 . 1 . . . A 697 A C2' . 25999 1 222 . 1 1 17 17 A C3' C 13 71.04 0.1 . 1 . . . A 697 A C3' . 25999 1 223 . 1 1 17 17 A C4' C 13 80.24 0.1 . 1 . . . A 697 A C4' . 25999 1 224 . 1 1 17 17 A C5' C 13 63.13 0.1 . 1 . . . A 697 A C5' . 25999 1 225 . 1 1 17 17 A C8 C 13 137.99 0.1 . 1 . . . A 697 A C8 . 25999 1 226 . 1 1 18 18 C H1' H 1 4.17 0.03 . 1 . . . A 776 C H1' . 25999 1 227 . 1 1 18 18 C H2' H 1 4.18 0.03 . 1 . . . A 776 C H2' . 25999 1 228 . 1 1 18 18 C H3' H 1 4.50 0.03 . 1 . . . A 776 C H3' . 25999 1 229 . 1 1 18 18 C H4' H 1 4.26 0.03 . 1 . . . A 776 C H4' . 25999 1 230 . 1 1 18 18 C H5 H 1 6.08 0.03 . 1 . . . A 776 C H5 . 25999 1 231 . 1 1 18 18 C H5' H 1 4.28 0.03 . 2 . . . A 776 C H5' . 25999 1 232 . 1 1 18 18 C H6 H 1 7.88 0.03 . 1 . . . A 776 C H6 . 25999 1 233 . 1 1 18 18 C C1' C 13 91.28 0.1 . 1 . . . A 776 C C1' . 25999 1 234 . 1 1 18 18 C C2' C 13 71.96 0.1 . 1 . . . A 776 C C2' . 25999 1 235 . 1 1 18 18 C C3' C 13 72.65 0.1 . 1 . . . A 776 C C3' . 25999 1 236 . 1 1 18 18 C C4' C 13 79.77 0.1 . 1 . . . A 776 C C4' . 25999 1 237 . 1 1 18 18 C C5 C 13 96.79 0.1 . 1 . . . A 776 C C5 . 25999 1 238 . 1 1 18 18 C C5' C 13 65.66 0.1 . 1 . . . A 776 C C5' . 25999 1 239 . 1 1 18 18 C C6 C 13 139.14 0.1 . 1 . . . A 776 C C6 . 25999 1 240 . 1 1 19 19 G H1' H 1 5.77 0.03 . 1 . . . A 777 G H1' . 25999 1 241 . 1 1 19 19 G H2' H 1 4.25 0.03 . 1 . . . A 777 G H2' . 25999 1 242 . 1 1 19 19 G H3' H 1 4.48 0.03 . 1 . . . A 777 G H3' . 25999 1 243 . 1 1 19 19 G H4' H 1 4.48 0.03 . 1 . . . A 777 G H4' . 25999 1 244 . 1 1 19 19 G H5' H 1 4.38 0.03 . 2 . . . A 777 G H5' . 25999 1 245 . 1 1 19 19 G H5'' H 1 4.09 0.03 . 2 . . . A 777 G H5'' . 25999 1 246 . 1 1 19 19 G H8 H 1 7.67 0.03 . 1 . . . A 777 G H8 . 25999 1 247 . 1 1 19 19 G C1' C 13 91.04 0.1 . 1 . . . A 777 G C1' . 25999 1 248 . 1 1 19 19 G C2' C 13 71.12 0.1 . 1 . . . A 777 G C2' . 25999 1 249 . 1 1 19 19 G C4' C 13 79.89 0.1 . 1 . . . A 777 G C4' . 25999 1 250 . 1 1 19 19 G C5' C 13 64.58 0.1 . 1 . . . A 777 G C5' . 25999 1 251 . 1 1 19 19 G C8 C 13 135.12 0.1 . 1 . . . A 777 G C8 . 25999 1 252 . 1 1 20 20 U H1' H 1 5.54 0.03 . 1 . . . A 778 U H1' . 25999 1 253 . 1 1 20 20 U H2' H 1 4.43 0.03 . 1 . . . A 778 U H2' . 25999 1 254 . 1 1 20 20 U H3' H 1 4.54 0.03 . 1 . . . A 778 U H3' . 25999 1 255 . 1 1 20 20 U H5 H 1 5.20 0.03 . 1 . . . A 778 U H5 . 25999 1 256 . 1 1 20 20 U H6 H 1 7.77 0.03 . 1 . . . A 778 U H6 . 25999 1 257 . 1 1 20 20 U C1' C 13 91.21 0.1 . 1 . . . A 778 U C1' . 25999 1 258 . 1 1 20 20 U C2' C 13 72.80 0.1 . 1 . . . A 778 U C2' . 25999 1 259 . 1 1 20 20 U C3' C 13 69.30 0.1 . 1 . . . A 778 U C3' . 25999 1 260 . 1 1 20 20 U C5 C 13 100.18 0.1 . 1 . . . A 778 U C5 . 25999 1 261 . 1 1 20 20 U C6 C 13 138.78 0.1 . 1 . . . A 778 U C6 . 25999 1 262 . 1 1 21 21 C H1' H 1 5.61 0.03 . 1 . . . A 779 C H1' . 25999 1 263 . 1 1 21 21 C H2' H 1 4.49 0.03 . 1 . . . A 779 C H2' . 25999 1 264 . 1 1 21 21 C H3' H 1 4.42 0.03 . 1 . . . A 779 C H3' . 25999 1 265 . 1 1 21 21 C H5 H 1 5.61 0.03 . 1 . . . A 779 C H5 . 25999 1 266 . 1 1 21 21 C H6 H 1 7.80 0.03 . 1 . . . A 779 C H6 . 25999 1 267 . 1 1 21 21 C C1' C 13 91.53 0.1 . 1 . . . A 779 C C1' . 25999 1 268 . 1 1 21 21 C C2' C 13 72.94 0.1 . 1 . . . A 779 C C2' . 25999 1 269 . 1 1 21 21 C C3' C 13 69.72 0.1 . 1 . . . A 779 C C3' . 25999 1 270 . 1 1 21 21 C C5 C 13 94.98 0.1 . 1 . . . A 779 C C5 . 25999 1 271 . 1 1 21 21 C C6 C 13 138.92 0.1 . 1 . . . A 779 C C6 . 25999 1 272 . 1 1 22 22 U H1' H 1 5.70 0.03 . 1 . . . A 780 U H1' . 25999 1 273 . 1 1 22 22 U H2' H 1 4.39 0.03 . 1 . . . A 780 U H2' . 25999 1 274 . 1 1 22 22 U H3' H 1 4.65 0.03 . 1 . . . A 780 U H3' . 25999 1 275 . 1 1 22 22 U H5 H 1 5.55 0.03 . 1 . . . A 780 U H5 . 25999 1 276 . 1 1 22 22 U H5' H 1 4.53 0.03 . 2 . . . A 780 U H5' . 25999 1 277 . 1 1 22 22 U H5'' H 1 4.13 0.03 . 2 . . . A 780 U H5'' . 25999 1 278 . 1 1 22 22 U H6 H 1 7.76 0.03 . 1 . . . A 780 U H6 . 25999 1 279 . 1 1 22 22 U C1' C 13 90.80 0.1 . 1 . . . A 780 U C1' . 25999 1 280 . 1 1 22 22 U C2' C 13 73.10 0.1 . 1 . . . A 780 U C2' . 25999 1 281 . 1 1 22 22 U C3' C 13 70.75 0.1 . 1 . . . A 780 U C3' . 25999 1 282 . 1 1 22 22 U C5 C 13 101.90 0.1 . 1 . . . A 780 U C5 . 25999 1 283 . 1 1 22 22 U C5' C 13 61.46 0.1 . 1 . . . A 780 U C5' . 25999 1 284 . 1 1 22 22 U C6 C 13 138.76 0.1 . 1 . . . A 780 U C6 . 25999 1 285 . 1 1 23 23 A H1' H 1 5.91 0.03 . 1 . . . A 781 A H1' . 25999 1 286 . 1 1 23 23 A H2 H 1 7.49 0.03 . 1 . . . A 781 A H2 . 25999 1 287 . 1 1 23 23 A H2' H 1 4.75 0.03 . 1 . . . A 781 A H2' . 25999 1 288 . 1 1 23 23 A H3' H 1 4.79 0.03 . 1 . . . A 781 A H3' . 25999 1 289 . 1 1 23 23 A H4' H 1 4.72 0.03 . 1 . . . A 781 A H4' . 25999 1 290 . 1 1 23 23 A H5' H 1 4.37 0.03 . 2 . . . A 781 A H5' . 25999 1 291 . 1 1 23 23 A H5'' H 1 4.26 0.03 . 2 . . . A 781 A H5'' . 25999 1 292 . 1 1 23 23 A H8 H 1 8.20 0.03 . 1 . . . A 781 A H8 . 25999 1 293 . 1 1 23 23 A C1' C 13 86.60 0.1 . 1 . . . A 781 A C1' . 25999 1 294 . 1 1 23 23 A C2 C 13 152.55 0.1 . 1 . . . A 781 A C2 . 25999 1 295 . 1 1 23 23 A C2' C 13 72.83 0.1 . 1 . . . A 781 A C2' . 25999 1 296 . 1 1 23 23 A C3' C 13 74.31 0.1 . 1 . . . A 781 A C3' . 25999 1 297 . 1 1 23 23 A C4' C 13 81.86 0.1 . 1 . . . A 781 A C4' . 25999 1 298 . 1 1 23 23 A C5' C 13 64.78 0.1 . 1 . . . A 781 A C5' . 25999 1 299 . 1 1 23 23 A C8 C 13 138.54 0.1 . 1 . . . A 781 A C8 . 25999 1 300 . 1 1 24 24 G H1' H 1 5.77 0.03 . 1 . . . A 782 G H1' . 25999 1 301 . 1 1 24 24 G H2' H 1 4.84 0.03 . 1 . . . A 782 G H2' . 25999 1 302 . 1 1 24 24 G H3' H 1 4.51 0.03 . 1 . . . A 782 G H3' . 25999 1 303 . 1 1 24 24 G H4' H 1 4.63 0.03 . 1 . . . A 782 G H4' . 25999 1 304 . 1 1 24 24 G H5' H 1 4.41 0.03 . 2 . . . A 782 G H5' . 25999 1 305 . 1 1 24 24 G H5'' H 1 4.39 0.03 . 2 . . . A 782 G H5'' . 25999 1 306 . 1 1 24 24 G H8 H 1 7.92 0.03 . 1 . . . A 782 G H8 . 25999 1 307 . 1 1 24 24 G C1' C 13 90.28 0.1 . 1 . . . A 782 G C1' . 25999 1 308 . 1 1 24 24 G C2' C 13 72.42 0.1 . 1 . . . A 782 G C2' . 25999 1 309 . 1 1 24 24 G C3' C 13 71.91 0.1 . 1 . . . A 782 G C3' . 25999 1 310 . 1 1 24 24 G C4' C 13 80.49 0.1 . 1 . . . A 782 G C4' . 25999 1 311 . 1 1 24 24 G C5' C 13 65.90 0.1 . 1 . . . A 782 G C5' . 25999 1 312 . 1 1 24 24 G C8 C 13 135.43 0.1 . 1 . . . A 782 G C8 . 25999 1 313 . 1 1 25 25 G H1' H 1 5.82 0.03 . 1 . . . A 783 G H1' . 25999 1 314 . 1 1 25 25 G H2' H 1 4.51 0.03 . 1 . . . A 783 G H2' . 25999 1 315 . 1 1 25 25 G H5' H 1 4.22 0.03 . 2 . . . A 783 G H5' . 25999 1 316 . 1 1 25 25 G H5'' H 1 4.59 0.03 . 2 . . . A 783 G H5'' . 25999 1 317 . 1 1 25 25 G H8 H 1 7.42 0.03 . 1 . . . A 783 G H8 . 25999 1 318 . 1 1 25 25 G C1' C 13 90.42 0.1 . 1 . . . A 783 G C1' . 25999 1 319 . 1 1 25 25 G C5' C 13 62.30 0.1 . 1 . . . A 783 G C5' . 25999 1 320 . 1 1 25 25 G C8 C 13 133.77 0.1 . 1 . . . A 783 G C8 . 25999 1 321 . 1 1 26 26 C H1' H 1 5.61 0.03 . 1 . . . A 784 C H1' . 25999 1 322 . 1 1 26 26 C H4' H 1 4.48 0.03 . 1 . . . A 784 C H4' . 25999 1 323 . 1 1 26 26 C H5 H 1 5.31 0.03 . 1 . . . A 784 C H5 . 25999 1 324 . 1 1 26 26 C H6 H 1 7.73 0.03 . 1 . . . A 784 C H6 . 25999 1 325 . 1 1 26 26 C C1' C 13 91.32 0.1 . 1 . . . A 784 C C1' . 25999 1 326 . 1 1 26 26 C C4' C 13 79.30 0.1 . 1 . . . A 784 C C4' . 25999 1 327 . 1 1 26 26 C C5 C 13 94.52 0.1 . 1 . . . A 784 C C5 . 25999 1 328 . 1 1 26 26 C C6 C 13 138.42 0.1 . 1 . . . A 784 C C6 . 25999 1 329 . 1 1 27 27 C H1' H 1 5.58 0.03 . 1 . . . A 785 C H1' . 25999 1 330 . 1 1 27 27 C H2' H 1 4.33 0.03 . 1 . . . A 785 C H2' . 25999 1 331 . 1 1 27 27 C H3' H 1 4.52 0.03 . 1 . . . A 785 C H3' . 25999 1 332 . 1 1 27 27 C H5 H 1 5.59 0.03 . 1 . . . A 785 C H5 . 25999 1 333 . 1 1 27 27 C H6 H 1 7.84 0.03 . 1 . . . A 785 C H6 . 25999 1 334 . 1 1 27 27 C C1' C 13 91.80 0.1 . 1 . . . A 785 C C1' . 25999 1 335 . 1 1 27 27 C C2' C 13 72.97 0.1 . 1 . . . A 785 C C2' . 25999 1 336 . 1 1 27 27 C C5 C 13 95.21 0.1 . 1 . . . A 785 C C5 . 25999 1 337 . 1 1 27 27 C C6 C 13 138.79 0.1 . 1 . . . A 785 C C6 . 25999 1 338 . 1 1 28 28 C H1' H 1 5.81 0.03 . 1 . . . A 786 C H1' . 25999 1 339 . 1 1 28 28 C H2' H 1 4.23 0.03 . 1 . . . A 786 C H2' . 25999 1 340 . 1 1 28 28 C H3' H 1 4.05 0.03 . 1 . . . A 786 C H3' . 25999 1 341 . 1 1 28 28 C H4' H 1 4.22 0.03 . 1 . . . A 786 C H4' . 25999 1 342 . 1 1 28 28 C H5 H 1 5.59 0.03 . 1 . . . A 786 C H5 . 25999 1 343 . 1 1 28 28 C H5' H 1 4.53 0.03 . 2 . . . A 786 C H5' . 25999 1 344 . 1 1 28 28 C H5'' H 1 4.08 0.03 . 2 . . . A 786 C H5'' . 25999 1 345 . 1 1 28 28 C H6 H 1 7.74 0.03 . 1 . . . A 786 C H6 . 25999 1 346 . 1 1 28 28 C C1' C 13 90.21 0.1 . 1 . . . A 786 C C1' . 25999 1 347 . 1 1 28 28 C C2' C 13 67.18 0.1 . 1 . . . A 786 C C2' . 25999 1 348 . 1 1 28 28 C C3' C 13 74.91 0.1 . 1 . . . A 786 C C3' . 25999 1 349 . 1 1 28 28 C C4' C 13 80.92 0.1 . 1 . . . A 786 C C4' . 25999 1 350 . 1 1 28 28 C C5 C 13 95.50 0.1 . 1 . . . A 786 C C5 . 25999 1 351 . 1 1 28 28 C C5' C 13 62.58 0.1 . 1 . . . A 786 C C5' . 25999 1 352 . 1 1 28 28 C C6 C 13 139.25 0.1 . 1 . . . A 786 C C6 . 25999 1 stop_ save_