################################### # 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 25998 _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 25998 1 4 '2D 1H-13C HSQC' 3 $sample_3 isotropic 25998 1 6 '2D 1H-13C HSQC' 4 $sample_4 isotropic 25998 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 5.83 0.03 . 1 . . . A 730 G H1' . 25998 1 2 . 1 1 1 1 G H2' H 1 4.92 0.03 . 1 . . . A 730 G H2' . 25998 1 3 . 1 1 1 1 G H8 H 1 8.14 0.03 . 1 . . . A 730 G H8 . 25998 1 4 . 1 1 1 1 G C1' C 13 88.64 0.1 . 1 . . . A 730 G C1' . 25998 1 5 . 1 1 1 1 G C2' C 13 72.43 0.1 . 1 . . . A 730 G C2' . 25998 1 6 . 1 1 1 1 G C8 C 13 136.43 0.1 . 1 . . . A 730 G C8 . 25998 1 7 . 1 1 2 2 G H1' H 1 5.94 0.03 . 1 . . . A 731 G H1' . 25998 1 8 . 1 1 2 2 G H2' H 1 4.71 0.03 . 1 . . . A 731 G H2' . 25998 1 9 . 1 1 2 2 G H8 H 1 7.59 0.03 . 1 . . . A 731 G H8 . 25998 1 10 . 1 1 2 2 G C1' C 13 90.07 0.1 . 1 . . . A 731 G C1' . 25998 1 11 . 1 1 2 2 G C2' C 13 72.95 0.1 . 1 . . . A 731 G C2' . 25998 1 12 . 1 1 2 2 G C8 C 13 134.23 0.1 . 1 . . . A 731 G C8 . 25998 1 13 . 1 1 3 3 G H1' H 1 5.80 0.03 . 1 . . . A 732 G H1' . 25998 1 14 . 1 1 3 3 G H2' H 1 4.54 0.03 . 1 . . . A 732 G H2' . 25998 1 15 . 1 1 3 3 G H8 H 1 7.29 0.03 . 1 . . . A 732 G H8 . 25998 1 16 . 1 1 3 3 G C1' C 13 90.34 0.1 . 1 . . . A 732 G C1' . 25998 1 17 . 1 1 3 3 G C2' C 13 72.66 0.1 . 1 . . . A 732 G C2' . 25998 1 18 . 1 1 3 3 G C8 C 13 133.33 0.1 . 1 . . . A 732 G C8 . 25998 1 19 . 1 1 4 4 C H1' H 1 5.53 0.03 . 1 . . . A 733 C H1' . 25998 1 20 . 1 1 4 4 C H2' H 1 4.46 0.03 . 1 . . . A 733 C H2' . 25998 1 21 . 1 1 4 4 C H5 H 1 5.26 0.03 . 1 . . . A 733 C H5 . 25998 1 22 . 1 1 4 4 C H6 H 1 7.59 0.03 . 1 . . . A 733 C H6 . 25998 1 23 . 1 1 4 4 C C1' C 13 91.43 0.1 . 1 . . . A 733 C C1' . 25998 1 24 . 1 1 4 4 C C2' C 13 72.74 0.1 . 1 . . . A 733 C C2' . 25998 1 25 . 1 1 4 4 C C5 C 13 94.57 0.1 . 1 . . . A 733 C C5 . 25998 1 26 . 1 1 4 4 C C6 C 13 138.28 0.1 . 1 . . . A 733 C C6 . 25998 1 27 . 1 1 5 5 U H1' H 1 5.57 0.03 . 1 . . . A 734 U H1' . 25998 1 28 . 1 1 5 5 U H2' H 1 4.53 0.03 . 1 . . . A 734 U H2' . 25998 1 29 . 1 1 5 5 U H5 H 1 5.44 0.03 . 1 . . . A 734 U H5 . 25998 1 30 . 1 1 5 5 U H6 H 1 7.87 0.03 . 1 . . . A 734 U H6 . 25998 1 31 . 1 1 5 5 U C1' C 13 91.24 0.1 . 1 . . . A 734 U C1' . 25998 1 32 . 1 1 5 5 U C2' C 13 72.63 0.1 . 1 . . . A 734 U C2' . 25998 1 33 . 1 1 5 5 U C5 C 13 100.77 0.1 . 1 . . . A 734 U C5 . 25998 1 34 . 1 1 5 5 U C6 C 13 139.29 0.1 . 1 . . . A 734 U C6 . 25998 1 35 . 1 1 6 6 C H1' H 1 5.54 0.03 . 1 . . . A 735 C H1' . 25998 1 36 . 1 1 6 6 C H2' H 1 4.51 0.03 . 1 . . . A 735 C H2' . 25998 1 37 . 1 1 6 6 C H5 H 1 5.64 0.03 . 1 . . . A 735 C H5 . 25998 1 38 . 1 1 6 6 C H6 H 1 7.82 0.03 . 1 . . . A 735 C H6 . 25998 1 39 . 1 1 6 6 C C1' C 13 91.07 0.1 . 1 . . . A 735 C C1' . 25998 1 40 . 1 1 6 6 C C2' C 13 70.05 0.1 . 1 . . . A 735 C C2' . 25998 1 41 . 1 1 6 6 C C5 C 13 95.23 0.1 . 1 . . . A 735 C C5 . 25998 1 42 . 1 1 6 6 C C6 C 13 138.59 0.1 . 1 . . . A 735 C C6 . 25998 1 43 . 1 1 7 7 G H1' H 1 5.65 0.03 . 1 . . . A 736 G H1' . 25998 1 44 . 1 1 7 7 G H2' H 1 4.51 0.03 . 1 . . . A 736 G H2' . 25998 1 45 . 1 1 7 7 G H8 H 1 7.52 0.03 . 1 . . . A 736 G H8 . 25998 1 46 . 1 1 7 7 G C1' C 13 90.14 0.1 . 1 . . . A 736 G C1' . 25998 1 47 . 1 1 7 7 G C2' C 13 72.78 0.1 . 1 . . . A 736 G C2' . 25998 1 48 . 1 1 7 7 G C8 C 13 133.70 0.1 . 1 . . . A 736 G C8 . 25998 1 49 . 1 1 8 8 G H1' H 1 5.75 0.03 . 1 . . . A 737 G H1' . 25998 1 50 . 1 1 8 8 G H2' H 1 4.46 0.03 . 1 . . . A 737 G H2' . 25998 1 51 . 1 1 8 8 G H3' H 1 4.42 0.03 . 1 . . . A 737 G H3' . 25998 1 52 . 1 1 8 8 G H4' H 1 4.45 0.03 . 1 . . . A 737 G H4' . 25998 1 53 . 1 1 8 8 G H8 H 1 7.22 0.03 . 1 . . . A 737 G H8 . 25998 1 54 . 1 1 8 8 G C1' C 13 90.16 0.1 . 1 . . . A 737 G C1' . 25998 1 55 . 1 1 8 8 G C2' C 13 72.86 0.1 . 1 . . . A 737 G C2' . 25998 1 56 . 1 1 8 8 G C3' C 13 71.03 0.1 . 1 . . . A 737 G C3' . 25998 1 57 . 1 1 8 8 G C4' C 13 80.31 0.1 . 1 . . . A 737 G C4' . 25998 1 58 . 1 1 8 8 G C8 C 13 134.75 0.1 . 1 . . . A 737 G C8 . 25998 1 59 . 1 1 9 9 U H1' H 1 5.65 0.03 . 1 . . . A 738 U H1' . 25998 1 60 . 1 1 9 9 U H2' H 1 4.47 0.03 . 1 . . . A 738 U H2' . 25998 1 61 . 1 1 9 9 U H3' H 1 4.59 0.03 . 1 . . . A 738 U H3' . 25998 1 62 . 1 1 9 9 U H5 H 1 5.45 0.03 . 1 . . . A 738 U H5 . 25998 1 63 . 1 1 9 9 U H5' H 1 4.09 0.03 . 2 . . . A 738 U H5' . 25998 1 64 . 1 1 9 9 U H5'' H 1 4.46 0.03 . 2 . . . A 738 U H5'' . 25998 1 65 . 1 1 9 9 U H6 H 1 7.69 0.03 . 1 . . . A 738 U H6 . 25998 1 66 . 1 1 9 9 U C1' C 13 90.06 0.1 . 1 . . . A 738 U C1' . 25998 1 67 . 1 1 9 9 U C2' C 13 73.11 0.1 . 1 . . . A 738 U C2' . 25998 1 68 . 1 1 9 9 U C3' C 13 70.85 0.1 . 1 . . . A 738 U C3' . 25998 1 69 . 1 1 9 9 U C5 C 13 101.61 0.1 . 1 . . . A 738 U C5 . 25998 1 70 . 1 1 9 9 U C5' C 13 62.98 0.1 . 1 . . . A 738 U C5' . 25998 1 71 . 1 1 9 9 U C6 C 13 138.57 0.1 . 1 . . . A 738 U C6 . 25998 1 72 . 1 1 10 10 G H1' H 1 5.69 0.03 . 1 . . . A 739 G H1' . 25998 1 73 . 1 1 10 10 G H2' H 1 4.67 0.03 . 1 . . . A 739 G H2' . 25998 1 74 . 1 1 10 10 G H3' H 1 4.41 0.03 . 1 . . . A 739 G H3' . 25998 1 75 . 1 1 10 10 G H4' H 1 4.50 0.03 . 1 . . . A 739 G H4' . 25998 1 76 . 1 1 10 10 G H8 H 1 7.82 0.03 . 1 . . . A 739 G H8 . 25998 1 77 . 1 1 10 10 G C1' C 13 90.48 0.1 . 1 . . . A 739 G C1' . 25998 1 78 . 1 1 10 10 G C2' C 13 72.36 0.1 . 1 . . . A 739 G C2' . 25998 1 79 . 1 1 10 10 G C3' C 13 71.02 0.1 . 1 . . . A 739 G C3' . 25998 1 80 . 1 1 10 10 G C4' C 13 80.10 0.1 . 1 . . . A 739 G C4' . 25998 1 81 . 1 1 10 10 G C8 C 13 134.93 0.1 . 1 . . . A 739 G C8 . 25998 1 82 . 1 1 11 11 C H1' H 1 5.40 0.03 . 1 . . . A 740 C H1' . 25998 1 83 . 1 1 11 11 C H2' H 1 4.39 0.03 . 1 . . . A 740 C H2' . 25998 1 84 . 1 1 11 11 C H5 H 1 5.45 0.03 . 1 . . . A 740 C H5 . 25998 1 85 . 1 1 11 11 C H6 H 1 7.71 0.03 . 1 . . . A 740 C H6 . 25998 1 86 . 1 1 11 11 C C1' C 13 91.06 0.1 . 1 . . . A 740 C C1' . 25998 1 87 . 1 1 11 11 C C2' C 13 72.64 0.1 . 1 . . . A 740 C C2' . 25998 1 88 . 1 1 11 11 C C5 C 13 95.05 0.1 . 1 . . . A 740 C C5 . 25998 1 89 . 1 1 11 11 C C6 C 13 138.02 0.1 . 1 . . . A 740 C C6 . 25998 1 90 . 1 1 12 12 A H1' H 1 5.95 0.03 . 1 . . . A 741 A H1' . 25998 1 91 . 1 1 12 12 A H2 H 1 7.37 0.03 . 1 . . . A 741 A H2 . 25998 1 92 . 1 1 12 12 A H2' H 1 4.55 0.03 . 1 . . . A 741 A H2' . 25998 1 93 . 1 1 12 12 A H8 H 1 8.05 0.03 . 1 . . . A 741 A H8 . 25998 1 94 . 1 1 12 12 A C1' C 13 90.24 0.1 . 1 . . . A 741 A C1' . 25998 1 95 . 1 1 12 12 A C2 C 13 150.63 0.1 . 1 . . . A 741 A C2 . 25998 1 96 . 1 1 12 12 A C2' C 13 72.93 0.1 . 1 . . . A 741 A C2' . 25998 1 97 . 1 1 12 12 A C8 C 13 136.74 0.1 . 1 . . . A 741 A C8 . 25998 1 98 . 1 1 13 13 C H1' H 1 5.37 0.03 . 1 . . . A 742 C H1' . 25998 1 99 . 1 1 13 13 C H2' H 1 4.39 0.03 . 1 . . . A 742 C H2' . 25998 1 100 . 1 1 13 13 C H5 H 1 5.25 0.03 . 1 . . . A 742 C H5 . 25998 1 101 . 1 1 13 13 C H6 H 1 7.52 0.03 . 1 . . . A 742 C H6 . 25998 1 102 . 1 1 13 13 C C1' C 13 90.84 0.1 . 1 . . . A 742 C C1' . 25998 1 103 . 1 1 13 13 C C2' C 13 72.64 0.1 . 1 . . . A 742 C C2' . 25998 1 104 . 1 1 13 13 C C5 C 13 94.61 0.1 . 1 . . . A 742 C C5 . 25998 1 105 . 1 1 13 13 C C6 C 13 137.81 0.1 . 1 . . . A 742 C C6 . 25998 1 106 . 1 1 14 14 A H1' H 1 5.92 0.03 . 1 . . . A 743 A H1' . 25998 1 107 . 1 1 14 14 A H2 H 1 7.30 0.03 . 1 . . . A 743 A H2 . 25998 1 108 . 1 1 14 14 A H2' H 1 4.48 0.03 . 1 . . . A 743 A H2' . 25998 1 109 . 1 1 14 14 A H8 H 1 8.00 0.03 . 1 . . . A 743 A H8 . 25998 1 110 . 1 1 14 14 A C1' C 13 90.41 0.1 . 1 . . . A 743 A C1' . 25998 1 111 . 1 1 14 14 A C2 C 13 150.51 0.1 . 1 . . . A 743 A C2 . 25998 1 112 . 1 1 14 14 A C2' C 13 72.82 0.1 . 1 . . . A 743 A C2' . 25998 1 113 . 1 1 14 14 A C8 C 13 136.94 0.1 . 1 . . . A 743 A C8 . 25998 1 114 . 1 1 15 15 U H1' H 1 5.43 0.03 . 1 . . . A 744 U H1' . 25998 1 115 . 1 1 15 15 U H2' H 1 4.39 0.03 . 1 . . . A 744 U H2' . 25998 1 116 . 1 1 15 15 U H5 H 1 5.00 0.03 . 1 . . . A 744 U H5 . 25998 1 117 . 1 1 15 15 U H6 H 1 7.52 0.03 . 1 . . . A 744 U H6 . 25998 1 118 . 1 1 15 15 U C1' C 13 90.52 0.1 . 1 . . . A 744 U C1' . 25998 1 119 . 1 1 15 15 U C2' C 13 72.63 0.1 . 1 . . . A 744 U C2' . 25998 1 120 . 1 1 15 15 U C5 C 13 100.44 0.1 . 1 . . . A 744 U C5 . 25998 1 121 . 1 1 15 15 U C6 C 13 138.13 0.1 . 1 . . . A 744 U C6 . 25998 1 122 . 1 1 16 16 G H1' H 1 5.75 0.03 . 1 . . . A 745 G H1' . 25998 1 123 . 1 1 16 16 G H2' H 1 4.43 0.03 . 1 . . . A 745 G H2' . 25998 1 124 . 1 1 16 16 G H3' H 1 4.43 0.03 . 1 . . . A 745 G H3' . 25998 1 125 . 1 1 16 16 G H8 H 1 7.57 0.03 . 1 . . . A 745 G H8 . 25998 1 126 . 1 1 16 16 G C1' C 13 89.62 0.1 . 1 . . . A 745 G C1' . 25998 1 127 . 1 1 16 16 G C2' C 13 71.04 0.1 . 1 . . . A 745 G C2' . 25998 1 128 . 1 1 16 16 G C3' C 13 80.31 0.1 . 1 . . . A 745 G C3' . 25998 1 129 . 1 1 16 16 G C8 C 13 133.70 0.1 . 1 . . . A 745 G C8 . 25998 1 130 . 1 1 17 17 C H1' H 1 5.62 0.03 . 1 . . . A 746 C H1' . 25998 1 131 . 1 1 17 17 C H2' H 1 4.18 0.03 . 1 . . . A 746 C H2' . 25998 1 132 . 1 1 17 17 C H5 H 1 5.62 0.03 . 1 . . . A 746 C H5 . 25998 1 133 . 1 1 17 17 C H6 H 1 7.71 0.03 . 1 . . . A 746 C H6 . 25998 1 134 . 1 1 17 17 C C1' C 13 89.57 0.1 . 1 . . . A 746 C C1' . 25998 1 135 . 1 1 17 17 C C2' C 13 73.78 0.1 . 1 . . . A 746 C C2' . 25998 1 136 . 1 1 17 17 C C5 C 13 95.67 0.1 . 1 . . . A 746 C C5 . 25998 1 137 . 1 1 17 17 C C6 C 13 139.29 0.1 . 1 . . . A 746 C C6 . 25998 1 138 . 1 1 18 18 U H1' H 1 5.82 0.03 . 1 . . . A 747 U H1' . 25998 1 139 . 1 1 18 18 U H2' H 1 4.38 0.03 . 1 . . . A 747 U H2' . 25998 1 140 . 1 1 18 18 U H3' H 1 4.45 0.03 . 1 . . . A 747 U H3' . 25998 1 141 . 1 1 18 18 U H4' H 1 4.31 0.03 . 1 . . . A 747 U H4' . 25998 1 142 . 1 1 18 18 U H5 H 1 5.81 0.03 . 1 . . . A 747 U H5 . 25998 1 143 . 1 1 18 18 U H5' H 1 4.15 0.03 . 2 . . . A 747 U H5' . 25998 1 144 . 1 1 18 18 U H5'' H 1 4.03 0.03 . 2 . . . A 747 U H5'' . 25998 1 145 . 1 1 18 18 U H6 H 1 7.84 0.03 . 1 . . . A 747 U H6 . 25998 1 146 . 1 1 18 18 U C1' C 13 87.86 0.1 . 1 . . . A 747 U C1' . 25998 1 147 . 1 1 18 18 U C2' C 13 72.83 0.1 . 1 . . . A 747 U C2' . 25998 1 148 . 1 1 18 18 U C3' C 13 74.48 0.1 . 1 . . . A 747 U C3' . 25998 1 149 . 1 1 18 18 U C4' C 13 82.70 0.1 . 1 . . . A 747 U C4' . 25998 1 150 . 1 1 18 18 U C5 C 13 102.47 0.1 . 1 . . . A 747 U C5 . 25998 1 151 . 1 1 18 18 U C5' C 13 64.74 0.1 . 1 . . . A 747 U C5' . 25998 1 152 . 1 1 18 18 U C6 C 13 140.97 0.1 . 1 . . . A 747 U C6 . 25998 1 153 . 1 1 19 19 U H1' H 1 5.53 0.03 . 1 . . . A 748 U H1' . 25998 1 154 . 1 1 19 19 U H2' H 1 4.11 0.03 . 1 . . . A 748 U H2' . 25998 1 155 . 1 1 19 19 U H3' H 1 4.43 0.03 . 1 . . . A 748 U H3' . 25998 1 156 . 1 1 19 19 U H4' H 1 3.80 0.03 . 1 . . . A 748 U H4' . 25998 1 157 . 1 1 19 19 U H5 H 1 5.67 0.03 . 1 . . . A 748 U H5 . 25998 1 158 . 1 1 19 19 U H6 H 1 7.59 0.03 . 1 . . . A 748 U H6 . 25998 1 159 . 1 1 19 19 U C1' C 13 87.18 0.1 . 1 . . . A 748 U C1' . 25998 1 160 . 1 1 19 19 U C2' C 13 73.36 0.1 . 1 . . . A 748 U C2' . 25998 1 161 . 1 1 19 19 U C3' C 13 74.71 0.1 . 1 . . . A 748 U C3' . 25998 1 162 . 1 1 19 19 U C4' C 13 83.11 0.1 . 1 . . . A 748 U C4' . 25998 1 163 . 1 1 19 19 U C5 C 13 102.54 0.1 . 1 . . . A 748 U C5 . 25998 1 164 . 1 1 19 19 U C6 C 13 140.84 0.1 . 1 . . . A 748 U C6 . 25998 1 165 . 1 1 20 20 U H1' H 1 5.87 0.03 . 1 . . . A 749 U H1' . 25998 1 166 . 1 1 20 20 U H2' H 1 4.30 0.03 . 1 . . . A 749 U H2' . 25998 1 167 . 1 1 20 20 U H3' H 1 4.72 0.03 . 1 . . . A 749 U H3' . 25998 1 168 . 1 1 20 20 U H4' H 1 4.39 0.03 . 1 . . . A 749 U H4' . 25998 1 169 . 1 1 20 20 U H5 H 1 5.83 0.03 . 1 . . . A 749 U H5 . 25998 1 170 . 1 1 20 20 U H5' H 1 3.94 0.03 . 2 . . . A 749 U H5' . 25998 1 171 . 1 1 20 20 U H5'' H 1 3.92 0.03 . 2 . . . A 749 U H5'' . 25998 1 172 . 1 1 20 20 U H6 H 1 7.71 0.03 . 1 . . . A 749 U H6 . 25998 1 173 . 1 1 20 20 U C1' C 13 87.38 0.1 . 1 . . . A 749 U C1' . 25998 1 174 . 1 1 20 20 U C2' C 13 73.04 0.1 . 1 . . . A 749 U C2' . 25998 1 175 . 1 1 20 20 U C3' C 13 74.55 0.1 . 1 . . . A 749 U C3' . 25998 1 176 . 1 1 20 20 U C4' C 13 82.44 0.1 . 1 . . . A 749 U C4' . 25998 1 177 . 1 1 20 20 U C5 C 13 102.86 0.1 . 1 . . . A 749 U C5 . 25998 1 178 . 1 1 20 20 U C5' C 13 65.46 0.1 . 1 . . . A 749 U C5' . 25998 1 179 . 1 1 20 20 U C6 C 13 141.21 0.1 . 1 . . . A 749 U C6 . 25998 1 180 . 1 1 21 21 A H1' H 1 6.08 0.03 . 1 . . . A 750 A H1' . 25998 1 181 . 1 1 21 21 A H2 H 1 8.16 0.03 . 1 . . . A 750 A H2 . 25998 1 182 . 1 1 21 21 A H2' H 1 4.88 0.03 . 1 . . . A 750 A H2' . 25998 1 183 . 1 1 21 21 A H4' H 1 4.62 0.03 . 1 . . . A 750 A H4' . 25998 1 184 . 1 1 21 21 A H8 H 1 8.54 0.03 . 1 . . . A 750 A H8 . 25998 1 185 . 1 1 21 21 A C1' C 13 88.85 0.1 . 1 . . . A 750 A C1' . 25998 1 186 . 1 1 21 21 A C2 C 13 148.17 0.1 . 1 . . . A 750 A C2 . 25998 1 187 . 1 1 21 21 A C2' C 13 72.83 0.1 . 1 . . . A 750 A C2' . 25998 1 188 . 1 1 21 21 A C4' C 13 81.36 0.1 . 1 . . . A 750 A C4' . 25998 1 189 . 1 1 21 21 A C8 C 13 140.18 0.1 . 1 . . . A 750 A C8 . 25998 1 190 . 1 1 22 22 C H1' H 1 5.51 0.03 . 1 . . . A 751 C H1' . 25998 1 191 . 1 1 22 22 C H2' H 1 4.51 0.03 . 1 . . . A 751 C H2' . 25998 1 192 . 1 1 22 22 C H5 H 1 5.61 0.03 . 1 . . . A 751 C H5 . 25998 1 193 . 1 1 22 22 C H6 H 1 7.70 0.03 . 1 . . . A 751 C H6 . 25998 1 194 . 1 1 22 22 C C1' C 13 90.82 0.1 . 1 . . . A 751 C C1' . 25998 1 195 . 1 1 22 22 C C2' C 13 70.72 0.1 . 1 . . . A 751 C C2' . 25998 1 196 . 1 1 22 22 C C5 C 13 95.36 0.1 . 1 . . . A 751 C C5 . 25998 1 197 . 1 1 22 22 C C6 C 13 138.84 0.1 . 1 . . . A 751 C C6 . 25998 1 198 . 1 1 23 23 A H1' H 1 5.99 0.03 . 1 . . . A 752 A H1' . 25998 1 199 . 1 1 23 23 A H2 H 1 7.36 0.03 . 1 . . . A 752 A H2 . 25998 1 200 . 1 1 23 23 A H2' H 1 4.53 0.03 . 1 . . . A 752 A H2' . 25998 1 201 . 1 1 23 23 A H8 H 1 8.08 0.03 . 1 . . . A 752 A H8 . 25998 1 202 . 1 1 23 23 A C1' C 13 90.50 0.1 . 1 . . . A 752 A C1' . 25998 1 203 . 1 1 23 23 A C2 C 13 150.52 0.1 . 1 . . . A 752 A C2 . 25998 1 204 . 1 1 23 23 A C2' C 13 72.86 0.1 . 1 . . . A 752 A C2' . 25998 1 205 . 1 1 23 23 A C8 C 13 137.16 0.1 . 1 . . . A 752 A C8 . 25998 1 206 . 1 1 24 24 U H1' H 1 5.46 0.03 . 1 . . . A 753 U H1' . 25998 1 207 . 1 1 24 24 U H2' H 1 4.50 0.03 . 1 . . . A 753 U H2' . 25998 1 208 . 1 1 24 24 U H5 H 1 5.04 0.03 . 1 . . . A 753 U H5 . 25998 1 209 . 1 1 24 24 U H6 H 1 7.55 0.03 . 1 . . . A 753 U H6 . 25998 1 210 . 1 1 24 24 U C1' C 13 90.36 0.1 . 1 . . . A 753 U C1' . 25998 1 211 . 1 1 24 24 U C2' C 13 72.69 0.1 . 1 . . . A 753 U C2' . 25998 1 212 . 1 1 24 24 U C5 C 13 100.32 0.1 . 1 . . . A 753 U C5 . 25998 1 213 . 1 1 24 24 U C6 C 13 138.28 0.1 . 1 . . . A 753 U C6 . 25998 1 214 . 1 1 25 25 G H1' H 1 5.75 0.03 . 1 . . . A 754 G H1' . 25998 1 215 . 1 1 25 25 G H2' H 1 4.46 0.03 . 1 . . . A 754 G H2' . 25998 1 216 . 1 1 25 25 G H8 H 1 7.63 0.03 . 1 . . . A 754 G H8 . 25998 1 217 . 1 1 25 25 G C1' C 13 90.07 0.1 . 1 . . . A 754 G C1' . 25998 1 218 . 1 1 25 25 G C2' C 13 72.66 0.1 . 1 . . . A 754 G C2' . 25998 1 219 . 1 1 25 25 G C8 C 13 133.70 0.1 . 1 . . . A 754 G C8 . 25998 1 220 . 1 1 26 26 U H1' H 1 5.48 0.03 . 1 . . . A 755 U H1' . 25998 1 221 . 1 1 26 26 U H2' H 1 4.59 0.03 . 1 . . . A 755 U H2' . 25998 1 222 . 1 1 26 26 U H5 H 1 5.04 0.03 . 1 . . . A 755 U H5 . 25998 1 223 . 1 1 26 26 U H6 H 1 7.67 0.03 . 1 . . . A 755 U H6 . 25998 1 224 . 1 1 26 26 U C1' C 13 90.72 0.1 . 1 . . . A 755 U C1' . 25998 1 225 . 1 1 26 26 U C2' C 13 72.56 0.1 . 1 . . . A 755 U C2' . 25998 1 226 . 1 1 26 26 U C5 C 13 100.34 0.1 . 1 . . . A 755 U C5 . 25998 1 227 . 1 1 26 26 U C6 C 13 138.56 0.1 . 1 . . . A 755 U C6 . 25998 1 228 . 1 1 27 27 G H1' H 1 5.76 0.03 . 1 . . . A 756 G H1' . 25998 1 229 . 1 1 27 27 G H2' H 1 4.51 0.03 . 1 . . . A 756 G H2' . 25998 1 230 . 1 1 27 27 G H8 H 1 7.57 0.03 . 1 . . . A 756 G H8 . 25998 1 231 . 1 1 27 27 G C1' C 13 90.21 0.1 . 1 . . . A 756 G C1' . 25998 1 232 . 1 1 27 27 G C2' C 13 72.63 0.1 . 1 . . . A 756 G C2' . 25998 1 233 . 1 1 27 27 G C8 C 13 133.40 0.1 . 1 . . . A 756 G C8 . 25998 1 234 . 1 1 28 28 U H1' H 1 5.52 0.03 . 1 . . . A 757 U H1' . 25998 1 235 . 1 1 28 28 U H2' H 1 4.22 0.03 . 1 . . . A 757 U H2' . 25998 1 236 . 1 1 28 28 U H4' H 1 4.35 0.03 . 1 . . . A 757 U H4' . 25998 1 237 . 1 1 28 28 U H5 H 1 5.39 0.03 . 1 . . . A 757 U H5 . 25998 1 238 . 1 1 28 28 U H6 H 1 7.61 0.03 . 1 . . . A 757 U H6 . 25998 1 239 . 1 1 28 28 U C1' C 13 90.08 0.1 . 1 . . . A 757 U C1' . 25998 1 240 . 1 1 28 28 U C2' C 13 73.34 0.1 . 1 . . . A 757 U C2' . 25998 1 241 . 1 1 28 28 U C4' C 13 80.45 0.1 . 1 . . . A 757 U C4' . 25998 1 242 . 1 1 28 28 U C5 C 13 101.63 0.1 . 1 . . . A 757 U C5 . 25998 1 243 . 1 1 28 28 U C6 C 13 138.18 0.1 . 1 . . . A 757 U C6 . 25998 1 244 . 1 1 29 29 U H1' H 1 5.71 0.03 . 1 . . . A 758 U H1' . 25998 1 245 . 1 1 29 29 U H2' H 1 4.19 0.03 . 1 . . . A 758 U H2' . 25998 1 246 . 1 1 29 29 U H3' H 1 4.53 0.03 . 1 . . . A 758 U H3' . 25998 1 247 . 1 1 29 29 U H4' H 1 4.32 0.03 . 1 . . . A 758 U H4' . 25998 1 248 . 1 1 29 29 U H5 H 1 5.62 0.03 . 1 . . . A 758 U H5 . 25998 1 249 . 1 1 29 29 U H6 H 1 7.70 0.03 . 1 . . . A 758 U H6 . 25998 1 250 . 1 1 29 29 U C1' C 13 88.54 0.1 . 1 . . . A 758 U C1' . 25998 1 251 . 1 1 29 29 U C2' C 13 72.85 0.1 . 1 . . . A 758 U C2' . 25998 1 252 . 1 1 29 29 U C3' C 13 73.37 0.1 . 1 . . . A 758 U C3' . 25998 1 253 . 1 1 29 29 U C4' C 13 81.91 0.1 . 1 . . . A 758 U C4' . 25998 1 254 . 1 1 29 29 U C5 C 13 102.16 0.1 . 1 . . . A 758 U C5 . 25998 1 255 . 1 1 29 29 U C6 C 13 140.79 0.1 . 1 . . . A 758 U C6 . 25998 1 256 . 1 1 30 30 U H1' H 1 5.68 0.03 . 1 . . . A 759 U H1' . 25998 1 257 . 1 1 30 30 U H2' H 1 4.19 0.03 . 1 . . . A 759 U H2' . 25998 1 258 . 1 1 30 30 U H3' H 1 4.54 0.03 . 1 . . . A 759 U H3' . 25998 1 259 . 1 1 30 30 U H4' H 1 4.28 0.03 . 1 . . . A 759 U H4' . 25998 1 260 . 1 1 30 30 U H5 H 1 5.66 0.03 . 1 . . . A 759 U H5 . 25998 1 261 . 1 1 30 30 U H6 H 1 7.60 0.03 . 1 . . . A 759 U H6 . 25998 1 262 . 1 1 30 30 U C1' C 13 88.15 0.1 . 1 . . . A 759 U C1' . 25998 1 263 . 1 1 30 30 U C2' C 13 72.99 0.1 . 1 . . . A 759 U C2' . 25998 1 264 . 1 1 30 30 U C3' C 13 73.93 0.1 . 1 . . . A 759 U C3' . 25998 1 265 . 1 1 30 30 U C4' C 13 82.12 0.1 . 1 . . . A 759 U C4' . 25998 1 266 . 1 1 30 30 U C5 C 13 102.30 0.1 . 1 . . . A 759 U C5 . 25998 1 267 . 1 1 30 30 U C6 C 13 140.86 0.1 . 1 . . . A 759 U C6 . 25998 1 268 . 1 1 31 31 A H1' H 1 5.93 0.03 . 1 . . . A 760 A H1' . 25998 1 269 . 1 1 31 31 A H2 H 1 7.93 0.03 . 1 . . . A 760 A H2 . 25998 1 270 . 1 1 31 31 A H2' H 1 4.72 0.03 . 1 . . . A 760 A H2' . 25998 1 271 . 1 1 31 31 A H3' H 1 4.44 0.03 . 1 . . . A 760 A H3' . 25998 1 272 . 1 1 31 31 A H4' H 1 4.46 0.03 . 1 . . . A 760 A H4' . 25998 1 273 . 1 1 31 31 A H5' H 1 4.09 0.03 . 2 . . . A 760 A H5' . 25998 1 274 . 1 1 31 31 A H5'' H 1 4.07 0.03 . 2 . . . A 760 A H5'' . 25998 1 275 . 1 1 31 31 A H8 H 1 8.24 0.03 . 1 . . . A 760 A H8 . 25998 1 276 . 1 1 31 31 A C1' C 13 87.27 0.1 . 1 . . . A 760 A C1' . 25998 1 277 . 1 1 31 31 A C2 C 13 152.28 0.1 . 1 . . . A 760 A C2 . 25998 1 278 . 1 1 31 31 A C2' C 13 74.07 0.1 . 1 . . . A 760 A C2' . 25998 1 279 . 1 1 31 31 A C4' C 13 82.21 0.1 . 1 . . . A 760 A C4' . 25998 1 280 . 1 1 31 31 A C8 C 13 139.10 0.1 . 1 . . . A 760 A C8 . 25998 1 281 . 1 1 32 32 G H1' H 1 5.75 0.03 . 1 . . . A 761 G H1' . 25998 1 282 . 1 1 32 32 G H2' H 1 4.79 0.03 . 1 . . . A 761 G H2' . 25998 1 283 . 1 1 32 32 G H3' H 1 4.59 0.03 . 1 . . . A 761 G H3' . 25998 1 284 . 1 1 32 32 G H4' H 1 4.54 0.03 . 1 . . . A 761 G H4' . 25998 1 285 . 1 1 32 32 G H5' H 1 4.38 0.03 . 2 . . . A 761 G H5' . 25998 1 286 . 1 1 32 32 G H5'' H 1 4.21 0.03 . 2 . . . A 761 G H5'' . 25998 1 287 . 1 1 32 32 G H8 H 1 7.82 0.03 . 1 . . . A 761 G H8 . 25998 1 288 . 1 1 32 32 G C1' C 13 89.10 0.1 . 1 . . . A 761 G C1' . 25998 1 289 . 1 1 32 32 G C2' C 13 72.60 0.1 . 1 . . . A 761 G C2' . 25998 1 290 . 1 1 32 32 G C3' C 13 72.73 0.1 . 1 . . . A 761 G C3' . 25998 1 291 . 1 1 32 32 G C4' C 13 81.22 0.1 . 1 . . . A 761 G C4' . 25998 1 292 . 1 1 32 32 G C5' C 13 64.90 0.1 . 1 . . . A 761 G C5' . 25998 1 293 . 1 1 32 32 G C8 C 13 136.53 0.1 . 1 . . . A 761 G C8 . 25998 1 294 . 1 1 33 33 U H1' H 1 5.64 0.03 . 1 . . . A 762 U H1' . 25998 1 295 . 1 1 33 33 U H2' H 1 4.63 0.03 . 1 . . . A 762 U H2' . 25998 1 296 . 1 1 33 33 U H3' H 1 4.29 0.03 . 1 . . . A 762 U H3' . 25998 1 297 . 1 1 33 33 U H4' H 1 4.49 0.03 . 1 . . . A 762 U H4' . 25998 1 298 . 1 1 33 33 U H5 H 1 5.61 0.03 . 1 . . . A 762 U H5 . 25998 1 299 . 1 1 33 33 U H5' H 1 4.17 0.03 . 2 . . . A 762 U H5' . 25998 1 300 . 1 1 33 33 U H5'' H 1 4.43 0.03 . 2 . . . A 762 U H5'' . 25998 1 301 . 1 1 33 33 U H6 H 1 7.79 0.03 . 1 . . . A 762 U H6 . 25998 1 302 . 1 1 33 33 U C1' C 13 90.26 0.1 . 1 . . . A 762 U C1' . 25998 1 303 . 1 1 33 33 U C2' C 13 71.31 0.1 . 1 . . . A 762 U C2' . 25998 1 304 . 1 1 33 33 U C3' C 13 72.98 0.1 . 1 . . . A 762 U C3' . 25998 1 305 . 1 1 33 33 U C4' C 13 81.03 0.1 . 1 . . . A 762 U C4' . 25998 1 306 . 1 1 33 33 U C5 C 13 101.94 0.1 . 1 . . . A 762 U C5 . 25998 1 307 . 1 1 33 33 U C5' C 13 63.11 0.1 . 1 . . . A 762 U C5' . 25998 1 308 . 1 1 33 33 U C6 C 13 139.47 0.1 . 1 . . . A 762 U C6 . 25998 1 309 . 1 1 34 34 C H1' H 1 5.59 0.03 . 1 . . . A 763 C H1' . 25998 1 310 . 1 1 34 34 C H2' H 1 4.59 0.03 . 1 . . . A 763 C H2' . 25998 1 311 . 1 1 34 34 C H5 H 1 5.77 0.03 . 1 . . . A 763 C H5 . 25998 1 312 . 1 1 34 34 C H6 H 1 7.93 0.03 . 1 . . . A 763 C H6 . 25998 1 313 . 1 1 34 34 C C1' C 13 90.82 0.1 . 1 . . . A 763 C C1' . 25998 1 314 . 1 1 34 34 C C2' C 13 72.76 0.1 . 1 . . . A 763 C C2' . 25998 1 315 . 1 1 34 34 C C5 C 13 95.45 0.1 . 1 . . . A 763 C C5 . 25998 1 316 . 1 1 34 34 C C6 C 13 139.46 0.1 . 1 . . . A 763 C C6 . 25998 1 317 . 1 1 35 35 G H1' H 1 5.67 0.03 . 1 . . . A 764 G H1' . 25998 1 318 . 1 1 35 35 G H2' H 1 4.59 0.03 . 1 . . . A 764 G H2' . 25998 1 319 . 1 1 35 35 G H8 H 1 7.53 0.03 . 1 . . . A 764 G H8 . 25998 1 320 . 1 1 35 35 G C1' C 13 90.24 0.1 . 1 . . . A 764 G C1' . 25998 1 321 . 1 1 35 35 G C2' C 13 70.60 0.1 . 1 . . . A 764 G C2' . 25998 1 322 . 1 1 35 35 G C8 C 13 133.75 0.1 . 1 . . . A 764 G C8 . 25998 1 323 . 1 1 36 36 A H1' H 1 5.92 0.03 . 1 . . . A 765 A H1' . 25998 1 324 . 1 1 36 36 A H2 H 1 7.38 0.03 . 1 . . . A 765 A H2 . 25998 1 325 . 1 1 36 36 A H2' H 1 4.67 0.03 . 1 . . . A 765 A H2' . 25998 1 326 . 1 1 36 36 A H8 H 1 7.77 0.03 . 1 . . . A 765 A H8 . 25998 1 327 . 1 1 36 36 A C1' C 13 90.16 0.1 . 1 . . . A 765 A C1' . 25998 1 328 . 1 1 36 36 A C2 C 13 150.59 0.1 . 1 . . . A 765 A C2 . 25998 1 329 . 1 1 36 36 A C2' C 13 70.09 0.1 . 1 . . . A 765 A C2' . 25998 1 330 . 1 1 36 36 A C8 C 13 136.63 0.1 . 1 . . . A 765 A C8 . 25998 1 331 . 1 1 37 37 G H1' H 1 5.65 0.03 . 1 . . . A 766 G H1' . 25998 1 332 . 1 1 37 37 G H8 H 1 7.23 0.03 . 1 . . . A 766 G H8 . 25998 1 333 . 1 1 37 37 G C1' C 13 89.96 0.1 . 1 . . . A 766 G C1' . 25998 1 334 . 1 1 37 37 G C8 C 13 133.01 0.1 . 1 . . . A 766 G C8 . 25998 1 335 . 1 1 38 38 C H1' H 1 5.52 0.03 . 1 . . . A 767 C H1' . 25998 1 336 . 1 1 38 38 C H5 H 1 5.18 0.03 . 1 . . . A 767 C H5 . 25998 1 337 . 1 1 38 38 C H6 H 1 7.61 0.03 . 1 . . . A 767 C H6 . 25998 1 338 . 1 1 38 38 C C1' C 13 91.26 0.1 . 1 . . . A 767 C C1' . 25998 1 339 . 1 1 38 38 C C5 C 13 94.40 0.1 . 1 . . . A 767 C C5 . 25998 1 340 . 1 1 38 38 C C6 C 13 138.27 0.1 . 1 . . . A 767 C C6 . 25998 1 341 . 1 1 39 39 C H5 H 1 5.50 0.03 . 1 . . . A 768 C H5 . 25998 1 342 . 1 1 39 39 C H6 H 1 7.78 0.03 . 1 . . . A 768 C H6 . 25998 1 343 . 1 1 39 39 C C6 C 13 138.69 0.1 . 1 . . . A 768 C C6 . 25998 1 stop_ save_