################################### # 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 30257 _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 $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' . . isotropic 30257 1 2 '3D 1H-13C NOESY' . . isotropic 30257 1 3 '2D 1H-1H TOCSY' . . isotropic 30257 1 4 '2D 1H-15N HSQC' . . isotropic 30257 1 5 '3D 1H-15N NOESY' . . isotropic 30257 1 6 '2D 1H-1H NOESY' . . isotropic 30257 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.83 . . . . . . . A 22 G H1' . 30257 1 2 . 1 1 1 1 G H3' H 1 4.73 . . . . . . . A 22 G H3' . 30257 1 3 . 1 1 1 1 G H4' H 1 4.51 . . . . . . . A 22 G H4' . 30257 1 4 . 1 1 1 1 G H5' H 1 4.46 . . . . . . . A 22 G H5' . 30257 1 5 . 1 1 1 1 G H5'' H 1 4.28 . . . . . . . A 22 G H5'' . 30257 1 6 . 1 1 1 1 G H8 H 1 8.24 . . . . . . . A 22 G H8 . 30257 1 7 . 1 1 1 1 G C1' C 13 89.91 . . . . . . . A 22 G C1' . 30257 1 8 . 1 1 1 1 G C2' C 13 72.42 . . . . . . . A 22 G C2' . 30257 1 9 . 1 1 1 1 G C3' C 13 70.15 . . . . . . . A 22 G C3' . 30257 1 10 . 1 1 1 1 G C4' C 13 80.53 . . . . . . . A 22 G C4' . 30257 1 11 . 1 1 1 1 G C5' C 13 63.72 . . . . . . . A 22 G C5' . 30257 1 12 . 1 1 1 1 G C8 C 13 136.84 . . . . . . . A 22 G C8 . 30257 1 13 . 1 1 1 1 G HO2' H 1 4.95 . . . . . . . A 22 G HO2' . 30257 1 14 . 1 1 2 2 G H1 H 1 13.39 . . . . . . . A 23 G H1 . 30257 1 15 . 1 1 2 2 G H1' H 1 5.9 . . . . . . . A 23 G H1' . 30257 1 16 . 1 1 2 2 G H3' H 1 4.58 . . . . . . . A 23 G H3' . 30257 1 17 . 1 1 2 2 G H4' H 1 4.53 . . . . . . . A 23 G H4' . 30257 1 18 . 1 1 2 2 G H5' H 1 4.52 . . . . . . . A 23 G H5' . 30257 1 19 . 1 1 2 2 G H5'' H 1 4.19 . . . . . . . A 23 G H5'' . 30257 1 20 . 1 1 2 2 G H8 H 1 7.62 . . . . . . . A 23 G H8 . 30257 1 21 . 1 1 2 2 G H21 H 1 6.33 . . . . . . . A 23 G H21 . 30257 1 22 . 1 1 2 2 G C1' C 13 90.57 . . . . . . . A 23 G C1' . 30257 1 23 . 1 1 2 2 G C2' C 13 72.74 . . . . . . . A 23 G C2' . 30257 1 24 . 1 1 2 2 G C3' C 13 70.23 . . . . . . . A 23 G C3' . 30257 1 25 . 1 1 2 2 G C4' C 13 79.82 . . . . . . . A 23 G C4' . 30257 1 26 . 1 1 2 2 G C5' C 13 62.89 . . . . . . . A 23 G C5' . 30257 1 27 . 1 1 2 2 G C8 C 13 134.47 . . . . . . . A 23 G C8 . 30257 1 28 . 1 1 2 2 G HO2' H 1 4.49 . . . . . . . A 23 G HO2' . 30257 1 29 . 1 1 3 3 U H1' H 1 5.57 . . . . . . . A 24 U H1' . 30257 1 30 . 1 1 3 3 U H3 H 1 13.74 . . . . . . . A 24 U H3 . 30257 1 31 . 1 1 3 3 U H3' H 1 4.56 . . . . . . . A 24 U H3' . 30257 1 32 . 1 1 3 3 U H4' H 1 4.47 . . . . . . . A 24 U H4' . 30257 1 33 . 1 1 3 3 U H5 H 1 5.14 . . . . . . . A 24 U H5 . 30257 1 34 . 1 1 3 3 U H5' H 1 4.57 . . . . . . . A 24 U H5' . 30257 1 35 . 1 1 3 3 U H5'' H 1 4.12 . . . . . . . A 24 U H5'' . 30257 1 36 . 1 1 3 3 U H6 H 1 7.72 . . . . . . . A 24 U H6 . 30257 1 37 . 1 1 3 3 U C1' C 13 90.89 . . . . . . . A 24 U C1' . 30257 1 38 . 1 1 3 3 U C2' C 13 72.77 . . . . . . . A 24 U C2' . 30257 1 39 . 1 1 3 3 U C3' C 13 69.8 . . . . . . . A 24 U C3' . 30257 1 40 . 1 1 3 3 U C4' C 13 79.35 . . . . . . . A 24 U C4' . 30257 1 41 . 1 1 3 3 U C5 C 13 100.4 . . . . . . . A 24 U C5 . 30257 1 42 . 1 1 3 3 U C5' C 13 62.1 . . . . . . . A 24 U C5' . 30257 1 43 . 1 1 3 3 U C6 C 13 138.58 . . . . . . . A 24 U C6 . 30257 1 44 . 1 1 3 3 U HO2' H 1 4.69 . . . . . . . A 24 U HO2' . 30257 1 45 . 1 1 4 4 G H1 H 1 12.61 . . . . . . . A 25 G H1 . 30257 1 46 . 1 1 4 4 G H1' H 1 5.76 . . . . . . . A 25 G H1' . 30257 1 47 . 1 1 4 4 G H3' H 1 4.5 . . . . . . . A 25 G H3' . 30257 1 48 . 1 1 4 4 G H4' H 1 4.49 . . . . . . . A 25 G H4' . 30257 1 49 . 1 1 4 4 G H5' H 1 4.47 . . . . . . . A 25 G H5' . 30257 1 50 . 1 1 4 4 G H5'' H 1 4.15 . . . . . . . A 25 G H5'' . 30257 1 51 . 1 1 4 4 G H8 H 1 7.69 . . . . . . . A 25 G H8 . 30257 1 52 . 1 1 4 4 G H21 H 1 6.51 . . . . . . . A 25 G H21 . 30257 1 53 . 1 1 4 4 G C1' C 13 90.3 . . . . . . . A 25 G C1' . 30257 1 54 . 1 1 4 4 G C2' C 13 72.8 . . . . . . . A 25 G C2' . 30257 1 55 . 1 1 4 4 G C3' C 13 70.94 . . . . . . . A 25 G C3' . 30257 1 56 . 1 1 4 4 G C4' C 13 79.49 . . . . . . . A 25 G C4' . 30257 1 57 . 1 1 4 4 G C5' C 13 63.62 . . . . . . . A 25 G C5' . 30257 1 58 . 1 1 4 4 G C8 C 13 133.76 . . . . . . . A 25 G C8 . 30257 1 59 . 1 1 4 4 G HO2' H 1 4.46 . . . . . . . A 25 G HO2' . 30257 1 60 . 1 1 5 5 U H1' H 1 5.45 . . . . . . . A 26 U H1' . 30257 1 61 . 1 1 5 5 U H3 H 1 14.3 . . . . . . . A 26 U H3 . 30257 1 62 . 1 1 5 5 U H3' H 1 4.45 . . . . . . . A 26 U H3' . 30257 1 63 . 1 1 5 5 U H4' H 1 4.42 . . . . . . . A 26 U H4' . 30257 1 64 . 1 1 5 5 U H5 H 1 5.04 . . . . . . . A 26 U H5 . 30257 1 65 . 1 1 5 5 U H5' H 1 4.58 . . . . . . . A 26 U H5' . 30257 1 66 . 1 1 5 5 U H5'' H 1 4.14 . . . . . . . A 26 U H5'' . 30257 1 67 . 1 1 5 5 U H6 H 1 7.76 . . . . . . . A 26 U H6 . 30257 1 68 . 1 1 5 5 U C1' C 13 91.22 . . . . . . . A 26 U C1' . 30257 1 69 . 1 1 5 5 U C2' C 13 72.521 . . . . . . . A 26 U C2' . 30257 1 70 . 1 1 5 5 U C3' C 13 69.55 . . . . . . . A 26 U C3' . 30257 1 71 . 1 1 5 5 U C4' C 13 79.63 . . . . . . . A 26 U C4' . 30257 1 72 . 1 1 5 5 U C5 C 13 99.9 . . . . . . . A 26 U C5 . 30257 1 73 . 1 1 5 5 U C5' C 13 62.03 . . . . . . . A 26 U C5' . 30257 1 74 . 1 1 5 5 U C6 C 13 139.276 . . . . . . . A 26 U C6 . 30257 1 75 . 1 1 5 5 U HO2' H 1 4.43 . . . . . . . A 26 U HO2' . 30257 1 76 . 1 1 6 6 U H1' H 1 5.6 . . . . . . . A 27 U H1' . 30257 1 77 . 1 1 6 6 U H3 H 1 13.12 . . . . . . . A 27 U H3 . 30257 1 78 . 1 1 6 6 U H3' H 1 4.7 . . . . . . . A 27 U H3' . 30257 1 79 . 1 1 6 6 U H4' H 1 4.56 . . . . . . . A 27 U H4' . 30257 1 80 . 1 1 6 6 U H5 H 1 5.554 . . . . . . . A 27 U H5 . 30257 1 81 . 1 1 6 6 U H5'' H 1 4.15 . . . . . . . A 27 U H5'' . 30257 1 82 . 1 1 6 6 U H6 H 1 7.93 . . . . . . . A 27 U H6 . 30257 1 83 . 1 1 6 6 U C1' C 13 90.71 . . . . . . . A 27 U C1' . 30257 1 84 . 1 1 6 6 U C2' C 13 72.95 . . . . . . . A 27 U C2' . 30257 1 85 . 1 1 6 6 U C3' C 13 69.8 . . . . . . . A 27 U C3' . 30257 1 86 . 1 1 6 6 U C4' C 13 79.35 . . . . . . . A 27 U C4' . 30257 1 87 . 1 1 6 6 U C5 C 13 101.2 . . . . . . . A 27 U C5 . 30257 1 88 . 1 1 6 6 U C5' C 13 62.01 . . . . . . . A 27 U C5' . 30257 1 89 . 1 1 6 6 U C6 C 13 139.24 . . . . . . . A 27 U C6 . 30257 1 90 . 1 1 6 6 U HO2' H 1 4.52 . . . . . . . A 27 U HO2' . 30257 1 91 . 1 1 7 7 G H1 H 1 11.77 . . . . . . . A 28 G H1 . 30257 1 92 . 1 1 7 7 G H1' H 1 5.68 . . . . . . . A 28 G H1' . 30257 1 93 . 1 1 7 7 G H8 H 1 7.7 . . . . . . . A 28 G H8 . 30257 1 94 . 1 1 7 7 G H21 H 1 7.22 . . . . . . . A 28 G H21 . 30257 1 95 . 1 1 7 7 G H22 H 1 5.96 . . . . . . . A 28 G H22 . 30257 1 96 . 1 1 7 7 G C1' C 13 89.79 . . . . . . . A 28 G C1' . 30257 1 97 . 1 1 7 7 G C2' C 13 73.14 . . . . . . . A 28 G C2' . 30257 1 98 . 1 1 7 7 G C8 C 13 134.33 . . . . . . . A 28 G C8 . 30257 1 99 . 1 1 7 7 G HO2' H 1 4.41 . . . . . . . A 28 G HO2' . 30257 1 100 . 1 1 8 8 A H1' H 1 5.94 . . . . . . . A 29 A H1' . 30257 1 101 . 1 1 8 8 A H2 H 1 8.06 . . . . . . . A 29 A H2 . 30257 1 102 . 1 1 8 8 A H8 H 1 8.13 . . . . . . . A 29 A H8 . 30257 1 103 . 1 1 8 8 A H61 H 1 10.4 . . . . . . . A 29 A H61 . 30257 1 104 . 1 1 8 8 A H62 H 1 9.08 . . . . . . . A 29 A H62 . 30257 1 105 . 1 1 8 8 A C1' C 13 88.96 . . . . . . . A 29 A C1' . 30257 1 106 . 1 1 8 8 A C8 C 13 138.46 . . . . . . . A 29 A C8 . 30257 1 107 . 1 1 8 8 A HO2' H 1 4.6 . . . . . . . A 29 A HO2' . 30257 1 108 . 1 1 9 9 C H5 H 1 5.32 . . . . . . . A 30 C H5 . 30257 1 109 . 1 1 9 9 C H6 H 1 7.33 . . . . . . . A 30 C H6 . 30257 1 110 . 1 1 10 10 U H1' H 1 5.376 . . . . . . . A 31 U H1' . 30257 1 111 . 1 1 10 10 U H5 H 1 5.47 . . . . . . . A 31 U H5 . 30257 1 112 . 1 1 10 10 U H6 H 1 7.6 . . . . . . . A 31 U H6 . 30257 1 113 . 1 1 10 10 U C1' C 13 90.45 . . . . . . . A 31 U C1' . 30257 1 114 . 1 1 10 10 U C5 C 13 101.38 . . . . . . . A 31 U C5 . 30257 1 115 . 1 1 10 10 U C6 C 13 139.43 . . . . . . . A 31 U C6 . 30257 1 116 . 1 1 10 10 U HO2' H 1 4.41 . . . . . . . A 31 U HO2' . 30257 1 117 . 1 1 11 11 G H4' H 1 4.28 . . . . . . . A 32 G H4' . 30257 1 118 . 1 1 11 11 G H8 H 1 7.74 . . . . . . . A 32 G H8 . 30257 1 119 . 1 1 11 11 G C1' C 13 88.95 . . . . . . . A 32 G C1' . 30257 1 120 . 1 1 11 11 G C2' C 13 72.98 . . . . . . . A 32 G C2' . 30257 1 121 . 1 1 11 11 G C4' C 13 81.67 . . . . . . . A 32 G C4' . 30257 1 122 . 1 1 11 11 G C8 C 13 134.54 . . . . . . . A 32 G C8 . 30257 1 123 . 1 1 11 11 G HO2' H 1 4.54 . . . . . . . A 32 G HO2' . 30257 1 124 . 1 1 12 12 U H1' H 1 5.65 . . . . . . . A 33 U H1' . 30257 1 125 . 1 1 12 12 U H5 H 1 5.65 . . . . . . . A 33 U H5 . 30257 1 126 . 1 1 12 12 U H6 H 1 7.706 . . . . . . . A 33 U H6 . 30257 1 127 . 1 1 12 12 U C1' C 13 88.8 . . . . . . . A 33 U C1' . 30257 1 128 . 1 1 12 12 U C5 C 13 102.35 . . . . . . . A 33 U C5 . 30257 1 129 . 1 1 12 12 U C6 C 13 140.59 . . . . . . . A 33 U C6 . 30257 1 130 . 1 1 12 12 U HO2' H 1 4.26 . . . . . . . A 33 U HO2' . 30257 1 131 . 1 1 13 13 U H1' H 1 5.64 . . . . . . . A 34 U H1' . 30257 1 132 . 1 1 13 13 U H4' H 1 4.31 . . . . . . . A 34 U H4' . 30257 1 133 . 1 1 13 13 U H5 H 1 5.54 . . . . . . . A 34 U H5 . 30257 1 134 . 1 1 13 13 U H6 H 1 7.64 . . . . . . . A 34 U H6 . 30257 1 135 . 1 1 13 13 U C1' C 13 87.52 . . . . . . . A 34 U C1' . 30257 1 136 . 1 1 13 13 U C4' C 13 81.84 . . . . . . . A 34 U C4' . 30257 1 137 . 1 1 13 13 U C5 C 13 102.139 . . . . . . . A 34 U C5 . 30257 1 138 . 1 1 13 13 U C6 C 13 140.36 . . . . . . . A 34 U C6 . 30257 1 139 . 1 1 13 13 U HO2' H 1 4.505 . . . . . . . A 34 U HO2' . 30257 1 140 . 1 1 14 14 G H1' H 1 5.63 . . . . . . . A 35 G H1' . 30257 1 141 . 1 1 14 14 G H4' H 1 4.36 . . . . . . . A 35 G H4' . 30257 1 142 . 1 1 14 14 G H8 H 1 7.82 . . . . . . . A 35 G H8 . 30257 1 143 . 1 1 14 14 G C1' C 13 88.13 . . . . . . . A 35 G C1' . 30257 1 144 . 1 1 14 14 G C4' C 13 81.74 . . . . . . . A 35 G C4' . 30257 1 145 . 1 1 14 14 G C8 C 13 135.51 . . . . . . . A 35 G C8 . 30257 1 146 . 1 1 14 14 G HO2' H 1 4.66 . . . . . . . A 35 G HO2' . 30257 1 147 . 1 1 15 15 A H1' H 1 5.83 . . . . . . . A 36 A H1' . 30257 1 148 . 1 1 15 15 A H2 H 1 7.94 . . . . . . . A 36 A H2 . 30257 1 149 . 1 1 15 15 A H4' H 1 4.47 . . . . . . . A 36 A H4' . 30257 1 150 . 1 1 15 15 A H8 H 1 8.14 . . . . . . . A 36 A H8 . 30257 1 151 . 1 1 15 15 A C1' C 13 87.97 . . . . . . . A 36 A C1' . 30257 1 152 . 1 1 15 15 A C4' C 13 82.32 . . . . . . . A 36 A C4' . 30257 1 153 . 1 1 15 15 A C8 C 13 139.14 . . . . . . . A 36 A C8 . 30257 1 154 . 1 1 15 15 A HO2' H 1 4.64 . . . . . . . A 36 A HO2' . 30257 1 155 . 1 1 16 16 A H1' H 1 5.65 . . . . . . . A 37 A H1' . 30257 1 156 . 1 1 16 16 A H2 H 1 7.824 . . . . . . . A 37 A H2 . 30257 1 157 . 1 1 16 16 A H8 H 1 7.82 . . . . . . . A 37 A H8 . 30257 1 158 . 1 1 16 16 A C1' C 13 88.59 . . . . . . . A 37 A C1' . 30257 1 159 . 1 1 16 16 A C2' C 13 73.05 . . . . . . . A 37 A C2' . 30257 1 160 . 1 1 16 16 A C8 C 13 136.84 . . . . . . . A 37 A C8 . 30257 1 161 . 1 1 16 16 A HO2' H 1 4.29 . . . . . . . A 37 A HO2' . 30257 1 162 . 1 1 17 17 U H1' H 1 5.77 . . . . . . . A 38 U H1' . 30257 1 163 . 1 1 17 17 U H4' H 1 4.39 . . . . . . . A 38 U H4' . 30257 1 164 . 1 1 17 17 U H5 H 1 5.68 . . . . . . . A 38 U H5 . 30257 1 165 . 1 1 17 17 U H6 H 1 7.69 . . . . . . . A 38 U H6 . 30257 1 166 . 1 1 17 17 U C1' C 13 88.22 . . . . . . . A 38 U C1' . 30257 1 167 . 1 1 17 17 U C2' C 13 73.94 . . . . . . . A 38 U C2' . 30257 1 168 . 1 1 17 17 U C4' C 13 82.6 . . . . . . . A 38 U C4' . 30257 1 169 . 1 1 17 17 U C5 C 13 102.47 . . . . . . . A 38 U C5 . 30257 1 170 . 1 1 17 17 U C6 C 13 140.9 . . . . . . . A 38 U C6 . 30257 1 171 . 1 1 17 17 U HO2' H 1 4.55 . . . . . . . A 38 U HO2' . 30257 1 172 . 1 1 18 18 C H1' H 1 5.84 . . . . . . . A 39 C H1' . 30257 1 173 . 1 1 18 18 C H5 H 1 5.91 . . . . . . . A 39 C H5 . 30257 1 174 . 1 1 18 18 C H6 H 1 7.76 . . . . . . . A 39 C H6 . 30257 1 175 . 1 1 18 18 C C1' C 13 89.24 . . . . . . . A 39 C C1' . 30257 1 176 . 1 1 18 18 C C2' C 13 73.39 . . . . . . . A 39 C C2' . 30257 1 177 . 1 1 18 18 C C5 C 13 96.17 . . . . . . . A 39 C C5 . 30257 1 178 . 1 1 18 18 C C6 C 13 141.38 . . . . . . . A 39 C C6 . 30257 1 179 . 1 1 18 18 C HO2' H 1 4.34 . . . . . . . A 39 C HO2' . 30257 1 180 . 1 1 19 19 U H1' H 1 5.78 . . . . . . . A 40 U H1' . 30257 1 181 . 1 1 19 19 U H3' H 1 4.51 . . . . . . . A 40 U H3' . 30257 1 182 . 1 1 19 19 U H5 H 1 5.79 . . . . . . . A 40 U H5 . 30257 1 183 . 1 1 19 19 U H6 H 1 7.81 . . . . . . . A 40 U H6 . 30257 1 184 . 1 1 19 19 U C1' C 13 88.83 . . . . . . . A 40 U C1' . 30257 1 185 . 1 1 19 19 U C2' C 13 72.78 . . . . . . . A 40 U C2' . 30257 1 186 . 1 1 19 19 U C5 C 13 102.42 . . . . . . . A 40 U C5 . 30257 1 187 . 1 1 19 19 U C6 C 13 140.91 . . . . . . . A 40 U C6 . 30257 1 188 . 1 1 19 19 U HO2' H 1 4.4 . . . . . . . A 40 U HO2' . 30257 1 189 . 1 1 20 20 C H1' H 1 5.69 . . . . . . . A 41 C H1' . 30257 1 190 . 1 1 20 20 C H4' H 1 4.41 . . . . . . . A 41 C H4' . 30257 1 191 . 1 1 20 20 C H5 H 1 5.86 . . . . . . . A 41 C H5 . 30257 1 192 . 1 1 20 20 C H6 H 1 7.7 . . . . . . . A 41 C H6 . 30257 1 193 . 1 1 20 20 C C1' C 13 90.34 . . . . . . . A 41 C C1' . 30257 1 194 . 1 1 20 20 C C2' C 13 73.58 . . . . . . . A 41 C C2' . 30257 1 195 . 1 1 20 20 C C4' C 13 80.95 . . . . . . . A 41 C C4' . 30257 1 196 . 1 1 20 20 C C5 C 13 95.91 . . . . . . . A 41 C C5 . 30257 1 197 . 1 1 20 20 C C6 C 13 140.56 . . . . . . . A 41 C C6 . 30257 1 198 . 1 1 20 20 C HO2' H 1 4.67 . . . . . . . A 41 C HO2' . 30257 1 199 . 1 1 21 21 A H1' H 1 5.85 . . . . . . . A 42 A H1' . 30257 1 200 . 1 1 21 21 A H2 H 1 7.53 . . . . . . . A 42 A H2 . 30257 1 201 . 1 1 21 21 A H8 H 1 8.14 . . . . . . . A 42 A H8 . 30257 1 202 . 1 1 21 21 A C1' C 13 87.73 . . . . . . . A 42 A C1' . 30257 1 203 . 1 1 21 21 A C8 C 13 139.08 . . . . . . . A 42 A C8 . 30257 1 204 . 1 1 22 22 U H5 H 1 5.53 . . . . . . . A 43 U H5 . 30257 1 205 . 1 1 22 22 U H6 H 1 7.68 . . . . . . . A 43 U H6 . 30257 1 206 . 1 1 23 23 G H8 H 1 7.74 . . . . . . . A 44 G H8 . 30257 1 207 . 1 1 23 23 G HO2' H 1 4.67 . . . . . . . A 44 G HO2' . 30257 1 208 . 1 1 24 24 G H1' H 1 5.85 . . . . . . . A 45 G H1' . 30257 1 209 . 1 1 24 24 G H8 H 1 8.14 . . . . . . . A 45 G H8 . 30257 1 210 . 1 1 24 24 G C1' C 13 90.07 . . . . . . . A 45 G C1' . 30257 1 211 . 1 1 24 24 G C2' C 13 72.22 . . . . . . . A 45 G C2' . 30257 1 212 . 1 1 24 24 G C8 C 13 138.99 . . . . . . . A 45 G C8 . 30257 1 213 . 1 1 24 24 G HO2' H 1 4.53 . . . . . . . A 45 G HO2' . 30257 1 214 . 1 1 25 25 C H5 H 1 5.25 . . . . . . . A 46 C H5 . 30257 1 215 . 1 1 25 25 C H6 H 1 7.61 . . . . . . . A 46 C H6 . 30257 1 216 . 1 1 25 25 C H41 H 1 8.37 . . . . . . . A 46 C H41 . 30257 1 217 . 1 1 25 25 C H42 H 1 7.08 . . . . . . . A 46 C H42 . 30257 1 218 . 1 1 26 26 A H1' H 1 5.76 . . . . . . . A 47 A H1' . 30257 1 219 . 1 1 26 26 A H2 H 1 6.63 . . . . . . . A 47 A H2 . 30257 1 220 . 1 1 26 26 A H3' H 1 4.75 . . . . . . . A 47 A H3' . 30257 1 221 . 1 1 26 26 A H8 H 1 7.98 . . . . . . . A 47 A H8 . 30257 1 222 . 1 1 26 26 A H61 H 1 7.82 . . . . . . . A 47 A H61 . 30257 1 223 . 1 1 26 26 A H62 H 1 6.43 . . . . . . . A 47 A H62 . 30257 1 224 . 1 1 26 26 A C1' C 13 90.22 . . . . . . . A 47 A C1' . 30257 1 225 . 1 1 26 26 A C2 C 13 149.62 . . . . . . . A 47 A C2 . 30257 1 226 . 1 1 26 26 A C2' C 13 72.98 . . . . . . . A 47 A C2' . 30257 1 227 . 1 1 26 26 A C3' C 13 70.15 . . . . . . . A 47 A C3' . 30257 1 228 . 1 1 26 26 A C8 C 13 137.01 . . . . . . . A 47 A C8 . 30257 1 229 . 1 1 26 26 A HO2' H 1 4.47 . . . . . . . A 47 A HO2' . 30257 1 230 . 1 1 27 27 A H1' H 1 5.84 . . . . . . . A 48 A H1' . 30257 1 231 . 1 1 27 27 A H2 H 1 7.58 . . . . . . . A 48 A H2 . 30257 1 232 . 1 1 27 27 A H3' H 1 4.63 . . . . . . . A 48 A H3' . 30257 1 233 . 1 1 27 27 A H4' H 1 4.46 . . . . . . . A 48 A H4' . 30257 1 234 . 1 1 27 27 A H5' H 1 4.58 . . . . . . . A 48 A H5' . 30257 1 235 . 1 1 27 27 A H5'' H 1 4.12 . . . . . . . A 48 A H5'' . 30257 1 236 . 1 1 27 27 A H8 H 1 7.87 . . . . . . . A 48 A H8 . 30257 1 237 . 1 1 27 27 A H61 H 1 8.03 . . . . . . . A 48 A H61 . 30257 1 238 . 1 1 27 27 A H62 H 1 6.7 . . . . . . . A 48 A H62 . 30257 1 239 . 1 1 27 27 A C1' C 13 89.87 . . . . . . . A 48 A C1' . 30257 1 240 . 1 1 27 27 A C2 C 13 151.25 . . . . . . . A 48 A C2 . 30257 1 241 . 1 1 27 27 A C2' C 13 73.01 . . . . . . . A 48 A C2' . 30257 1 242 . 1 1 27 27 A C3' C 13 69.88 . . . . . . . A 48 A C3' . 30257 1 243 . 1 1 27 27 A C4' C 13 79.18 . . . . . . . A 48 A C4' . 30257 1 244 . 1 1 27 27 A C5' C 13 61.98 . . . . . . . A 48 A C5' . 30257 1 245 . 1 1 27 27 A C8 C 13 136.57 . . . . . . . A 48 A C8 . 30257 1 246 . 1 1 27 27 A HO2' H 1 4.32 . . . . . . . A 48 A HO2' . 30257 1 247 . 1 1 28 28 C H1' H 1 5.28 . . . . . . . A 49 C H1' . 30257 1 248 . 1 1 28 28 C H3' H 1 4.44 . . . . . . . A 49 C H3' . 30257 1 249 . 1 1 28 28 C H4' H 1 4.36 . . . . . . . A 49 C H4' . 30257 1 250 . 1 1 28 28 C H5 H 1 5.17 . . . . . . . A 49 C H5 . 30257 1 251 . 1 1 28 28 C H5' H 1 4.47 . . . . . . . A 49 C H5' . 30257 1 252 . 1 1 28 28 C H5'' H 1 4.04 . . . . . . . A 49 C H5'' . 30257 1 253 . 1 1 28 28 C H6 H 1 7.44 . . . . . . . A 49 C H6 . 30257 1 254 . 1 1 28 28 C H41 H 1 8.27 . . . . . . . A 49 C H41 . 30257 1 255 . 1 1 28 28 C H42 H 1 7 . . . . . . . A 49 C H42 . 30257 1 256 . 1 1 28 28 C C1' C 13 90.63 . . . . . . . A 49 C C1' . 30257 1 257 . 1 1 28 28 C C2' C 13 72.82 . . . . . . . A 49 C C2' . 30257 1 258 . 1 1 28 28 C C3' C 13 69.59 . . . . . . . A 49 C C3' . 30257 1 259 . 1 1 28 28 C C4' C 13 79.04 . . . . . . . A 49 C C4' . 30257 1 260 . 1 1 28 28 C C5 C 13 94.8 . . . . . . . A 49 C C5 . 30257 1 261 . 1 1 28 28 C C5' C 13 61.9 . . . . . . . A 49 C C5' . 30257 1 262 . 1 1 28 28 C C6 C 13 137.69 . . . . . . . A 49 C C6 . 30257 1 263 . 1 1 28 28 C HO2' H 1 4.19 . . . . . . . A 49 C HO2' . 30257 1 264 . 1 1 29 29 A H1' H 1 5.89 . . . . . . . A 50 A H1' . 30257 1 265 . 1 1 29 29 A H2 H 1 7.42 . . . . . . . A 50 A H2 . 30257 1 266 . 1 1 29 29 A H3' H 1 4.64 . . . . . . . A 50 A H3' . 30257 1 267 . 1 1 29 29 A H4' H 1 4.44 . . . . . . . A 50 A H4' . 30257 1 268 . 1 1 29 29 A H8 H 1 8 . . . . . . . A 50 A H8 . 30257 1 269 . 1 1 29 29 A H61 H 1 8.06 . . . . . . . A 50 A H61 . 30257 1 270 . 1 1 29 29 A H62 H 1 6.36 . . . . . . . A 50 A H62 . 30257 1 271 . 1 1 29 29 A C1' C 13 90.29 . . . . . . . A 50 A C1' . 30257 1 272 . 1 1 29 29 A C2 C 13 151.02 . . . . . . . A 50 A C2 . 30257 1 273 . 1 1 29 29 A C2' C 13 72.87 . . . . . . . A 50 A C2' . 30257 1 274 . 1 1 29 29 A C3' C 13 70.01 . . . . . . . A 50 A C3' . 30257 1 275 . 1 1 29 29 A C4' C 13 79.35 . . . . . . . A 50 A C4' . 30257 1 276 . 1 1 29 29 A C8 C 13 136.92 . . . . . . . A 50 A C8 . 30257 1 277 . 1 1 29 29 A HO2' H 1 4.49 . . . . . . . A 50 A HO2' . 30257 1 278 . 1 1 30 30 C H1' H 1 5.39 . . . . . . . A 51 C H1' . 30257 1 279 . 1 1 30 30 C H3' H 1 4.35 . . . . . . . A 51 C H3' . 30257 1 280 . 1 1 30 30 C H4' H 1 4.36 . . . . . . . A 51 C H4' . 30257 1 281 . 1 1 30 30 C H5 H 1 5.18 . . . . . . . A 51 C H5 . 30257 1 282 . 1 1 30 30 C H5' H 1 4.48 . . . . . . . A 51 C H5' . 30257 1 283 . 1 1 30 30 C H5'' H 1 4.03 . . . . . . . A 51 C H5'' . 30257 1 284 . 1 1 30 30 C H6 H 1 7.49 . . . . . . . A 51 C H6 . 30257 1 285 . 1 1 30 30 C H41 H 1 8.39 . . . . . . . A 51 C H41 . 30257 1 286 . 1 1 30 30 C H42 H 1 7.08 . . . . . . . A 51 C H42 . 30257 1 287 . 1 1 30 30 C C1' C 13 91.23 . . . . . . . A 51 C C1' . 30257 1 288 . 1 1 30 30 C C2' C 13 73.2 . . . . . . . A 51 C C2' . 30257 1 289 . 1 1 30 30 C C3' C 13 69.6 . . . . . . . A 51 C C3' . 30257 1 290 . 1 1 30 30 C C4' C 13 79.28 . . . . . . . A 51 C C4' . 30257 1 291 . 1 1 30 30 C C5 C 13 94.4 . . . . . . . A 51 C C5 . 30257 1 292 . 1 1 30 30 C C5' C 13 61.96 . . . . . . . A 51 C C5' . 30257 1 293 . 1 1 30 30 C C6 C 13 138.125 . . . . . . . A 51 C C6 . 30257 1 294 . 1 1 30 30 C HO2' H 1 4.1 . . . . . . . A 51 C HO2' . 30257 1 295 . 1 1 31 31 C H1' H 1 5.73 . . . . . . . A 52 C H1' . 30257 1 296 . 1 1 31 31 C H3' H 1 4.13 . . . . . . . A 52 C H3' . 30257 1 297 . 1 1 31 31 C H4' H 1 4.13 . . . . . . . A 52 C H4' . 30257 1 298 . 1 1 31 31 C H5 H 1 5.46 . . . . . . . A 52 C H5 . 30257 1 299 . 1 1 31 31 C H5' H 1 4.44 . . . . . . . A 52 C H5' . 30257 1 300 . 1 1 31 31 C H5'' H 1 4.01 . . . . . . . A 52 C H5'' . 30257 1 301 . 1 1 31 31 C H6 H 1 7.64 . . . . . . . A 52 C H6 . 30257 1 302 . 1 1 31 31 C C1' C 13 90.24 . . . . . . . A 52 C C1' . 30257 1 303 . 1 1 31 31 C C2' C 13 74.8 . . . . . . . A 52 C C2' . 30257 1 304 . 1 1 31 31 C C3' C 13 67.26 . . . . . . . A 52 C C3' . 30257 1 305 . 1 1 31 31 C C4' C 13 80.9 . . . . . . . A 52 C C4' . 30257 1 306 . 1 1 31 31 C C5 C 13 95.5 . . . . . . . A 52 C C5 . 30257 1 307 . 1 1 31 31 C C5' C 13 62.56 . . . . . . . A 52 C C5' . 30257 1 308 . 1 1 31 31 C C6 C 13 139.32 . . . . . . . A 52 C C6 . 30257 1 309 . 1 1 31 31 C HO2' H 1 3.97 . . . . . . . A 52 C HO2' . 30257 1 stop_ save_