################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 6077 1 . . 3 $sample_3 . 6077 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 C8 C 13 139.186 0.120 . 1 . . . . . . . . 6077 1 2 . 1 1 1 1 G H1' H 1 5.848 0.003 . 1 . . . . . . . . 6077 1 3 . 1 1 1 1 G H2' H 1 4.952 0.003 . 1 . . . . . . . . 6077 1 4 . 1 1 1 1 G H3' H 1 4.726 0.005 . 1 . . . . . . . . 6077 1 5 . 1 1 1 1 G H4' H 1 4.576 0.005 . 1 . . . . . . . . 6077 1 6 . 1 1 1 1 G H5'' H 1 4.278 0.005 . 1 . . . . . . . . 6077 1 7 . 1 1 1 1 G H5' H 1 4.441 0.005 . 1 . . . . . . . . 6077 1 8 . 1 1 1 1 G H8 H 1 8.162 0.003 . 1 . . . . . . . . 6077 1 9 . 1 1 2 2 G C8 C 13 137.055 0.120 . 1 . . . . . . . . 6077 1 10 . 1 1 2 2 G H1' H 1 5.917 0.003 . 1 . . . . . . . . 6077 1 11 . 1 1 2 2 G H2' H 1 4.679 0.005 . 1 . . . . . . . . 6077 1 12 . 1 1 2 2 G H3' H 1 4.619 0.005 . 1 . . . . . . . . 6077 1 13 . 1 1 2 2 G H4' H 1 4.575 0.005 . 1 . . . . . . . . 6077 1 14 . 1 1 2 2 G H5'' H 1 4.518 0.005 . 1 . . . . . . . . 6077 1 15 . 1 1 2 2 G H5' H 1 4.262 0.005 . 1 . . . . . . . . 6077 1 16 . 1 1 2 2 G H8 H 1 7.542 0.003 . 1 . . . . . . . . 6077 1 17 . 1 1 3 3 A C1' C 13 93.158 0.120 . 1 . . . . . . . . 6077 1 18 . 1 1 3 3 A C2 C 13 153.530 0.120 . 1 . . . . . . . . 6077 1 19 . 1 1 3 3 A C2' C 13 76.078 0.120 . 1 . . . . . . . . 6077 1 20 . 1 1 3 3 A C3' C 13 72.919 0.120 . 1 . . . . . . . . 6077 1 21 . 1 1 3 3 A C8 C 13 139.347 0.120 . 1 . . . . . . . . 6077 1 22 . 1 1 3 3 A H1' H 1 6.002 0.003 . 1 . . . . . . . . 6077 1 23 . 1 1 3 3 A H2 H 1 7.468 0.003 . 1 . . . . . . . . 6077 1 24 . 1 1 3 3 A H2' H 1 4.691 0.005 . 1 . . . . . . . . 6077 1 25 . 1 1 3 3 A H3' H 1 4.663 0.006 . 1 . . . . . . . . 6077 1 26 . 1 1 3 3 A H4' H 1 4.523 0.005 . 1 . . . . . . . . 6077 1 27 . 1 1 3 3 A H5' H 1 4.163 0.005 . 1 . . . . . . . . 6077 1 28 . 1 1 3 3 A H8 H 1 7.755 0.006 . 1 . . . . . . . . 6077 1 29 . 1 1 4 4 G C8 C 13 135.748 0.120 . 1 . . . . . . . . 6077 1 30 . 1 1 4 4 G H1' H 1 5.627 0.003 . 1 . . . . . . . . 6077 1 31 . 1 1 4 4 G H2' H 1 4.554 0.003 . 1 . . . . . . . . 6077 1 32 . 1 1 4 4 G H3' H 1 4.406 0.005 . 1 . . . . . . . . 6077 1 33 . 1 1 4 4 G H4' H 1 4.456 0.005 . 1 . . . . . . . . 6077 1 34 . 1 1 4 4 G H5'' H 1 4.423 0.005 . 1 . . . . . . . . 6077 1 35 . 1 1 4 4 G H5' H 1 4.048 0.005 . 1 . . . . . . . . 6077 1 36 . 1 1 4 4 G H8 H 1 7.068 0.003 . 1 . . . . . . . . 6077 1 37 . 1 1 5 5 G H1' H 1 5.712 0.003 . 1 . . . . . . . . 6077 1 38 . 1 1 5 5 G H2' H 1 4.556 0.005 . 1 . . . . . . . . 6077 1 39 . 1 1 5 5 G H3' H 1 4.478 0.005 . 1 . . . . . . . . 6077 1 40 . 1 1 5 5 G H5' H 1 4.051 0.005 . 1 . . . . . . . . 6077 1 41 . 1 1 5 5 G H8 H 1 7.151 0.003 . 1 . . . . . . . . 6077 1 42 . 1 1 6 6 A C1' C 13 93.090 0.120 . 1 . . . . . . . . 6077 1 43 . 1 1 6 6 A C2 C 13 154.252 0.120 . 1 . . . . . . . . 6077 1 44 . 1 1 6 6 A C2' C 13 75.940 0.120 . 1 . . . . . . . . 6077 1 45 . 1 1 6 6 A C8 C 13 139.380 0.120 . 1 . . . . . . . . 6077 1 46 . 1 1 6 6 A H1' H 1 5.987 0.003 . 1 . . . . . . . . 6077 1 47 . 1 1 6 6 A H2 H 1 7.809 0.003 . 1 . . . . . . . . 6077 1 48 . 1 1 6 6 A H2' H 1 4.585 0.005 . 1 . . . . . . . . 6077 1 49 . 1 1 6 6 A H3' H 1 4.592 0.005 . 1 . . . . . . . . 6077 1 50 . 1 1 6 6 A H4' H 1 4.480 0.005 . 1 . . . . . . . . 6077 1 51 . 1 1 6 6 A H5' H 1 4.105 0.005 . 1 . . . . . . . . 6077 1 52 . 1 1 6 6 A H8 H 1 7.795 0.004 . 1 . . . . . . . . 6077 1 53 . 1 1 7 7 C C1' C 13 93.709 0.120 . 1 . . . . . . . . 6077 1 54 . 1 1 7 7 C C5 C 13 97.676 0.120 . 1 . . . . . . . . 6077 1 55 . 1 1 7 7 C H1' H 1 5.325 0.003 . 1 . . . . . . . . 6077 1 56 . 1 1 7 7 C H2' H 1 4.434 0.003 . 1 . . . . . . . . 6077 1 57 . 1 1 7 7 C H3' H 1 4.285 0.003 . 1 . . . . . . . . 6077 1 58 . 1 1 7 7 C H4' H 1 4.383 0.005 . 1 . . . . . . . . 6077 1 59 . 1 1 7 7 C H5 H 1 5.185 0.003 . 1 . . . . . . . . 6077 1 60 . 1 1 7 7 C H5'' H 1 4.484 0.005 . 1 . . . . . . . . 6077 1 61 . 1 1 7 7 C H5' H 1 4.029 0.005 . 1 . . . . . . . . 6077 1 62 . 1 1 7 7 C H6 H 1 7.248 0.003 . 1 . . . . . . . . 6077 1 63 . 1 1 8 8 A C1' C 13 93.338 0.120 . 1 . . . . . . . . 6077 1 64 . 1 1 8 8 A C2 C 13 154.185 0.215 . 1 . . . . . . . . 6077 1 65 . 1 1 8 8 A C2' C 13 76.032 0.120 . 1 . . . . . . . . 6077 1 66 . 1 1 8 8 A C3' C 13 73.442 0.120 . 1 . . . . . . . . 6077 1 67 . 1 1 8 8 A C4' C 13 82.895 0.120 . 1 . . . . . . . . 6077 1 68 . 1 1 8 8 A C5' C 13 65.694 0.120 . 1 . . . . . . . . 6077 1 69 . 1 1 8 8 A C8 C 13 139.727 0.120 . 1 . . . . . . . . 6077 1 70 . 1 1 8 8 A H1' H 1 5.905 0.003 . 1 . . . . . . . . 6077 1 71 . 1 1 8 8 A H2 H 1 7.256 0.003 . 1 . . . . . . . . 6077 1 72 . 1 1 8 8 A H2' H 1 4.320 0.003 . 1 . . . . . . . . 6077 1 73 . 1 1 8 8 A H3' H 1 4.406 0.005 . 1 . . . . . . . . 6077 1 74 . 1 1 8 8 A H4' H 1 4.409 0.005 . 1 . . . . . . . . 6077 1 75 . 1 1 8 8 A H5'' H 1 4.415 0.005 . 1 . . . . . . . . 6077 1 76 . 1 1 8 8 A H5' H 1 4.043 0.005 . 1 . . . . . . . . 6077 1 77 . 1 1 8 8 A H8 H 1 7.879 0.003 . 1 . . . . . . . . 6077 1 78 . 1 1 9 9 U C1' C 13 91.546 0.120 . 1 . . . . . . . . 6077 1 79 . 1 1 9 9 U C2' C 13 76.143 0.120 . 1 . . . . . . . . 6077 1 80 . 1 1 9 9 U C4' C 13 84.182 0.120 . 1 . . . . . . . . 6077 1 81 . 1 1 9 9 U C5 C 13 104.309 0.120 . 1 . . . . . . . . 6077 1 82 . 1 1 9 9 U C5' C 13 66.166 0.120 . 1 . . . . . . . . 6077 1 83 . 1 1 9 9 U C6 C 13 141.781 0.120 . 1 . . . . . . . . 6077 1 84 . 1 1 9 9 U H1' H 1 5.431 0.003 . 1 . . . . . . . . 6077 1 85 . 1 1 9 9 U H2' H 1 4.024 0.003 . 1 . . . . . . . . 6077 1 86 . 1 1 9 9 U H3' H 1 4.396 0.003 . 1 . . . . . . . . 6077 1 87 . 1 1 9 9 U H4' H 1 4.240 0.004 . 1 . . . . . . . . 6077 1 88 . 1 1 9 9 U H5 H 1 5.250 0.003 . 1 . . . . . . . . 6077 1 89 . 1 1 9 9 U H5'' H 1 4.249 0.006 . 1 . . . . . . . . 6077 1 90 . 1 1 9 9 U H5' H 1 3.944 0.003 . 1 . . . . . . . . 6077 1 91 . 1 1 9 9 U H6 H 1 7.372 0.003 . 1 . . . . . . . . 6077 1 92 . 1 1 10 10 U C1' C 13 91.831 0.120 . 1 . . . . . . . . 6077 1 93 . 1 1 10 10 U C2' C 13 75.641 0.120 . 1 . . . . . . . . 6077 1 94 . 1 1 10 10 U C4' C 13 84.811 0.120 . 1 . . . . . . . . 6077 1 95 . 1 1 10 10 U C5 C 13 105.141 0.120 . 1 . . . . . . . . 6077 1 96 . 1 1 10 10 U C5' C 13 67.436 0.120 . 1 . . . . . . . . 6077 1 97 . 1 1 10 10 U C6 C 13 143.671 0.120 . 1 . . . . . . . . 6077 1 98 . 1 1 10 10 U H1' H 1 5.775 0.008 . 1 . . . . . . . . 6077 1 99 . 1 1 10 10 U H2' H 1 4.301 0.003 . 1 . . . . . . . . 6077 1 100 . 1 1 10 10 U H3' H 1 4.463 0.003 . 1 . . . . . . . . 6077 1 101 . 1 1 10 10 U H4' H 1 4.316 0.005 . 1 . . . . . . . . 6077 1 102 . 1 1 10 10 U H5 H 1 5.706 0.003 . 1 . . . . . . . . 6077 1 103 . 1 1 10 10 U H5'' H 1 4.108 0.005 . 1 . . . . . . . . 6077 1 104 . 1 1 10 10 U H5' H 1 3.980 0.005 . 1 . . . . . . . . 6077 1 105 . 1 1 10 10 U H6 H 1 7.708 0.003 . 1 . . . . . . . . 6077 1 106 . 1 1 11 11 C C5 C 13 141.052 0.120 . 1 . . . . . . . . 6077 1 107 . 1 1 11 11 C C6 C 13 143.873 0.120 . 1 . . . . . . . . 6077 1 108 . 1 1 11 11 C H1' H 1 5.782 0.003 . 1 . . . . . . . . 6077 1 109 . 1 1 11 11 C H2' H 1 4.342 0.003 . 1 . . . . . . . . 6077 1 110 . 1 1 11 11 C H3' H 1 4.486 0.005 . 1 . . . . . . . . 6077 1 111 . 1 1 11 11 C H5 H 1 5.932 0.003 . 1 . . . . . . . . 6077 1 112 . 1 1 11 11 C H6 H 1 7.810 0.003 . 1 . . . . . . . . 6077 1 113 . 1 1 12 12 C C5 C 13 140.942 0.120 . 1 . . . . . . . . 6077 1 114 . 1 1 12 12 C C6 C 13 143.627 0.120 . 1 . . . . . . . . 6077 1 115 . 1 1 12 12 C H1' H 1 5.731 0.003 . 1 . . . . . . . . 6077 1 116 . 1 1 12 12 C H2' H 1 4.256 0.003 . 1 . . . . . . . . 6077 1 117 . 1 1 12 12 C H3' H 1 4.525 0.005 . 1 . . . . . . . . 6077 1 118 . 1 1 12 12 C H4' H 1 4.251 0.005 . 1 . . . . . . . . 6077 1 119 . 1 1 12 12 C H5 H 1 5.873 0.003 . 1 . . . . . . . . 6077 1 120 . 1 1 12 12 C H5' H 1 4.058 0.005 . 1 . . . . . . . . 6077 1 121 . 1 1 12 12 C H6 H 1 7.745 0.003 . 1 . . . . . . . . 6077 1 122 . 1 1 13 13 U C1' C 13 93.337 0.120 . 1 . . . . . . . . 6077 1 123 . 1 1 13 13 U C4' C 13 84.235 0.120 . 1 . . . . . . . . 6077 1 124 . 1 1 13 13 U C5 C 13 105.325 0.120 . 1 . . . . . . . . 6077 1 125 . 1 1 13 13 U C5' C 13 66.859 0.120 . 1 . . . . . . . . 6077 1 126 . 1 1 13 13 U C6 C 13 143.034 0.207 . 1 . . . . . . . . 6077 1 127 . 1 1 13 13 U H1' H 1 5.900 0.003 . 1 . . . . . . . . 6077 1 128 . 1 1 13 13 U H2' H 1 4.465 0.003 . 1 . . . . . . . . 6077 1 129 . 1 1 13 13 U H3' H 1 4.452 0.005 . 1 . . . . . . . . 6077 1 130 . 1 1 13 13 U H4' H 1 4.546 0.015 . 1 . . . . . . . . 6077 1 131 . 1 1 13 13 U H5 H 1 5.831 0.006 . 1 . . . . . . . . 6077 1 132 . 1 1 13 13 U H5'' H 1 4.334 0.005 . 1 . . . . . . . . 6077 1 133 . 1 1 13 13 U H5' H 1 4.120 0.005 . 1 . . . . . . . . 6077 1 134 . 1 1 13 13 U H6 H 1 7.873 0.003 . 1 . . . . . . . . 6077 1 135 . 1 1 14 14 C C5 C 13 99.162 0.120 . 1 . . . . . . . . 6077 1 136 . 1 1 14 14 C H1' H 1 5.557 0.003 . 1 . . . . . . . . 6077 1 137 . 1 1 14 14 C H2' H 1 4.555 0.003 . 1 . . . . . . . . 6077 1 138 . 1 1 14 14 C H3' H 1 4.706 0.005 . 1 . . . . . . . . 6077 1 139 . 1 1 14 14 C H5 H 1 6.061 0.003 . 1 . . . . . . . . 6077 1 140 . 1 1 14 14 C H5'' H 1 4.554 0.005 . 1 . . . . . . . . 6077 1 141 . 1 1 14 14 C H5' H 1 4.117 0.005 . 1 . . . . . . . . 6077 1 142 . 1 1 14 14 C H6 H 1 8.123 0.003 . 1 . . . . . . . . 6077 1 143 . 1 1 15 15 A C1' C 13 93.013 0.120 . 1 . . . . . . . . 6077 1 144 . 1 1 15 15 A C2 C 13 153.726 0.120 . 1 . . . . . . . . 6077 1 145 . 1 1 15 15 A C2' C 13 75.987 0.120 . 1 . . . . . . . . 6077 1 146 . 1 1 15 15 A C3' C 13 72.840 0.120 . 1 . . . . . . . . 6077 1 147 . 1 1 15 15 A C8 C 13 140.017 0.120 . 1 . . . . . . . . 6077 1 148 . 1 1 15 15 A H1' H 1 6.043 0.003 . 1 . . . . . . . . 6077 1 149 . 1 1 15 15 A H2 H 1 7.611 0.006 . 1 . . . . . . . . 6077 1 150 . 1 1 15 15 A H2' H 1 4.561 0.005 . 1 . . . . . . . . 6077 1 151 . 1 1 15 15 A H3' H 1 4.833 0.005 . 1 . . . . . . . . 6077 1 152 . 1 1 15 15 A H4' H 1 4.552 0.005 . 1 . . . . . . . . 6077 1 153 . 1 1 15 15 A H5'' H 1 4.640 0.005 . 1 . . . . . . . . 6077 1 154 . 1 1 15 15 A H5' H 1 4.243 0.005 . 1 . . . . . . . . 6077 1 155 . 1 1 15 15 A H8 H 1 8.309 0.003 . 1 . . . . . . . . 6077 1 156 . 1 1 16 16 C C5 C 13 97.651 0.120 . 1 . . . . . . . . 6077 1 157 . 1 1 16 16 C H1' H 1 5.513 0.003 . 1 . . . . . . . . 6077 1 158 . 1 1 16 16 C H2' H 1 4.382 0.003 . 1 . . . . . . . . 6077 1 159 . 1 1 16 16 C H3' H 1 4.448 0.005 . 1 . . . . . . . . 6077 1 160 . 1 1 16 16 C H4' H 1 4.433 0.005 . 1 . . . . . . . . 6077 1 161 . 1 1 16 16 C H5 H 1 5.314 0.003 . 1 . . . . . . . . 6077 1 162 . 1 1 16 16 C H5' H 1 4.120 0.005 . 1 . . . . . . . . 6077 1 163 . 1 1 16 16 C H6 H 1 7.611 0.003 . 1 . . . . . . . . 6077 1 164 . 1 1 17 17 G C8 C 13 135.997 0.120 . 1 . . . . . . . . 6077 1 165 . 1 1 17 17 G H1' H 1 5.754 0.003 . 1 . . . . . . . . 6077 1 166 . 1 1 17 17 G H2' H 1 4.503 0.005 . 1 . . . . . . . . 6077 1 167 . 1 1 17 17 G H3' H 1 4.628 0.006 . 1 . . . . . . . . 6077 1 168 . 1 1 17 17 G H4' H 1 4.389 0.005 . 1 . . . . . . . . 6077 1 169 . 1 1 17 17 G H5' H 1 4.123 0.005 . 1 . . . . . . . . 6077 1 170 . 1 1 17 17 G H8 H 1 7.537 0.003 . 1 . . . . . . . . 6077 1 171 . 1 1 18 18 G H1' H 1 5.776 0.005 . 1 . . . . . . . . 6077 1 172 . 1 1 18 18 G H2' H 1 4.571 0.005 . 1 . . . . . . . . 6077 1 173 . 1 1 18 18 G H3' H 1 4.454 0.005 . 1 . . . . . . . . 6077 1 174 . 1 1 18 18 G H5' H 1 4.109 0.005 . 1 . . . . . . . . 6077 1 175 . 1 1 18 18 G H8 H 1 7.186 0.003 . 1 . . . . . . . . 6077 1 176 . 1 1 19 19 G H1' H 1 5.763 0.003 . 1 . . . . . . . . 6077 1 177 . 1 1 19 19 G H2' H 1 4.407 0.005 . 1 . . . . . . . . 6077 1 178 . 1 1 19 19 G H4' H 1 4.346 0.005 . 1 . . . . . . . . 6077 1 179 . 1 1 19 19 G H5'' H 1 4.410 0.005 . 1 . . . . . . . . 6077 1 180 . 1 1 19 19 G H5' H 1 4.076 0.005 . 1 . . . . . . . . 6077 1 181 . 1 1 19 19 G H8 H 1 7.173 0.003 . 1 . . . . . . . . 6077 1 182 . 1 1 20 20 U C1' C 13 92.601 0.239 . 1 . . . . . . . . 6077 1 183 . 1 1 20 20 U C2' C 13 76.066 0.120 . 1 . . . . . . . . 6077 1 184 . 1 1 20 20 U C3' C 13 73.344 0.120 . 1 . . . . . . . . 6077 1 185 . 1 1 20 20 U C4' C 13 83.510 0.120 . 1 . . . . . . . . 6077 1 186 . 1 1 20 20 U C5 C 13 104.143 0.120 . 1 . . . . . . . . 6077 1 187 . 1 1 20 20 U C5' C 13 64.842 0.120 . 1 . . . . . . . . 6077 1 188 . 1 1 20 20 U C6 C 13 143.013 0.120 . 1 . . . . . . . . 6077 1 189 . 1 1 20 20 U H1' H 1 5.439 0.008 . 1 . . . . . . . . 6077 1 190 . 1 1 20 20 U H2' H 1 4.363 0.003 . 1 . . . . . . . . 6077 1 191 . 1 1 20 20 U H3' H 1 4.160 0.010 . 1 . . . . . . . . 6077 1 192 . 1 1 20 20 U H4' H 1 4.084 0.007 . 1 . . . . . . . . 6077 1 193 . 1 1 20 20 U H5 H 1 5.440 0.003 . 1 . . . . . . . . 6077 1 194 . 1 1 20 20 U H5'' H 1 4.168 0.005 . 1 . . . . . . . . 6077 1 195 . 1 1 20 20 U H5' H 1 3.842 0.004 . 1 . . . . . . . . 6077 1 196 . 1 1 20 20 U H6 H 1 7.745 0.003 . 1 . . . . . . . . 6077 1 197 . 1 1 21 21 G H1' H 1 5.482 0.003 . 1 . . . . . . . . 6077 1 198 . 1 1 21 21 G H2' H 1 4.325 0.003 . 1 . . . . . . . . 6077 1 199 . 1 1 21 21 G H3' H 1 4.658 0.003 . 1 . . . . . . . . 6077 1 200 . 1 1 21 21 G H4' H 1 4.298 0.005 . 1 . . . . . . . . 6077 1 201 . 1 1 21 21 G H5'' H 1 3.949 0.005 . 1 . . . . . . . . 6077 1 202 . 1 1 21 21 G H5' H 1 4.088 0.005 . 1 . . . . . . . . 6077 1 203 . 1 1 21 21 G H8 H 1 7.783 0.003 . 1 . . . . . . . . 6077 1 204 . 1 1 22 22 A C1' C 13 91.764 0.120 . 1 . . . . . . . . 6077 1 205 . 1 1 22 22 A C2 C 13 155.834 0.189 . 1 . . . . . . . . 6077 1 206 . 1 1 22 22 A C2' C 13 77.057 0.120 . 1 . . . . . . . . 6077 1 207 . 1 1 22 22 A C3' C 13 73.551 0.120 . 1 . . . . . . . . 6077 1 208 . 1 1 22 22 A C4' C 13 82.825 0.120 . 1 . . . . . . . . 6077 1 209 . 1 1 22 22 A C5' C 13 65.832 0.120 . 1 . . . . . . . . 6077 1 210 . 1 1 22 22 A C8 C 13 140.773 0.120 . 1 . . . . . . . . 6077 1 211 . 1 1 22 22 A H1' H 1 6.139 0.003 . 1 . . . . . . . . 6077 1 212 . 1 1 22 22 A H2 H 1 8.258 0.004 . 1 . . . . . . . . 6077 1 213 . 1 1 22 22 A H2' H 1 4.539 0.007 . 1 . . . . . . . . 6077 1 214 . 1 1 22 22 A H3' H 1 4.977 0.004 . 1 . . . . . . . . 6077 1 215 . 1 1 22 22 A H4' H 1 4.475 0.003 . 1 . . . . . . . . 6077 1 216 . 1 1 22 22 A H5'' H 1 4.552 0.013 . 1 . . . . . . . . 6077 1 217 . 1 1 22 22 A H5' H 1 4.272 0.011 . 1 . . . . . . . . 6077 1 218 . 1 1 22 22 A H8 H 1 8.296 0.003 . 1 . . . . . . . . 6077 1 219 . 1 1 23 23 C C5 C 13 99.383 0.120 . 1 . . . . . . . . 6077 1 220 . 1 1 23 23 C H1' H 1 3.958 0.023 . 1 . . . . . . . . 6077 1 221 . 1 1 23 23 C H2' H 1 4.362 0.005 . 1 . . . . . . . . 6077 1 222 . 1 1 23 23 C H3' H 1 4.075 0.005 . 1 . . . . . . . . 6077 1 223 . 1 1 23 23 C H4' H 1 4.214 0.005 . 1 . . . . . . . . 6077 1 224 . 1 1 23 23 C H5 H 1 6.084 0.004 . 1 . . . . . . . . 6077 1 225 . 1 1 23 23 C H5'' H 1 4.293 0.005 . 1 . . . . . . . . 6077 1 226 . 1 1 23 23 C H5' H 1 4.211 0.005 . 1 . . . . . . . . 6077 1 227 . 1 1 23 23 C H6 H 1 7.900 0.003 . 1 . . . . . . . . 6077 1 228 . 1 1 24 24 C C6 C 13 141.065 0.120 . 1 . . . . . . . . 6077 1 229 . 1 1 24 24 C H1' H 1 5.531 0.005 . 1 . . . . . . . . 6077 1 230 . 1 1 24 24 C H2' H 1 4.598 0.005 . 1 . . . . . . . . 6077 1 231 . 1 1 24 24 C H5 H 1 5.645 0.003 . 1 . . . . . . . . 6077 1 232 . 1 1 24 24 C H6 H 1 7.778 0.003 . 1 . . . . . . . . 6077 1 233 . 1 1 25 25 G C8 C 13 136.375 0.120 . 1 . . . . . . . . 6077 1 234 . 1 1 25 25 G H1' H 1 5.728 0.003 . 1 . . . . . . . . 6077 1 235 . 1 1 25 25 G H2' H 1 4.516 0.005 . 1 . . . . . . . . 6077 1 236 . 1 1 25 25 G H5'' H 1 4.559 0.005 . 1 . . . . . . . . 6077 1 237 . 1 1 25 25 G H5' H 1 4.118 0.005 . 1 . . . . . . . . 6077 1 238 . 1 1 25 25 G H8 H 1 7.635 0.003 . 1 . . . . . . . . 6077 1 239 . 1 1 26 26 U C1' C 13 93.949 0.120 . 1 . . . . . . . . 6077 1 240 . 1 1 26 26 U C2' C 13 75.714 0.120 . 1 . . . . . . . . 6077 1 241 . 1 1 26 26 U C5 C 13 103.372 0.120 . 1 . . . . . . . . 6077 1 242 . 1 1 26 26 U C6 C 13 140.966 0.120 . 1 . . . . . . . . 6077 1 243 . 1 1 26 26 U H1' H 1 5.543 0.003 . 1 . . . . . . . . 6077 1 244 . 1 1 26 26 U H2' H 1 4.362 0.005 . 1 . . . . . . . . 6077 1 245 . 1 1 26 26 U H3' H 1 4.580 0.005 . 1 . . . . . . . . 6077 1 246 . 1 1 26 26 U H4' H 1 4.442 0.005 . 1 . . . . . . . . 6077 1 247 . 1 1 26 26 U H5 H 1 5.160 0.004 . 1 . . . . . . . . 6077 1 248 . 1 1 26 26 U H5' H 1 4.122 0.005 . 1 . . . . . . . . 6077 1 249 . 1 1 26 26 U H6 H 1 7.747 0.004 . 1 . . . . . . . . 6077 1 250 . 1 1 27 27 G C1' C 13 90.247 0.120 . 1 . . . . . . . . 6077 1 251 . 1 1 27 27 G H1' H 1 6.016 0.003 . 1 . . . . . . . . 6077 1 252 . 1 1 27 27 G H2' H 1 4.353 0.003 . 1 . . . . . . . . 6077 1 253 . 1 1 27 27 G H3' H 1 4.820 0.003 . 1 . . . . . . . . 6077 1 254 . 1 1 27 27 G H4' H 1 4.564 0.005 . 1 . . . . . . . . 6077 1 255 . 1 1 27 27 G H5'' H 1 4.518 0.005 . 1 . . . . . . . . 6077 1 256 . 1 1 27 27 G H5' H 1 4.185 0.005 . 1 . . . . . . . . 6077 1 257 . 1 1 27 27 G H8 H 1 7.790 0.003 . 1 . . . . . . . . 6077 1 258 . 1 1 28 28 G C8 C 13 138.731 0.120 . 1 . . . . . . . . 6077 1 259 . 1 1 28 28 G H1' H 1 5.851 0.003 . 1 . . . . . . . . 6077 1 260 . 1 1 28 28 G H2' H 1 4.735 0.003 . 1 . . . . . . . . 6077 1 261 . 1 1 28 28 G H3' H 1 4.583 0.005 . 1 . . . . . . . . 6077 1 262 . 1 1 28 28 G H4' H 1 4.556 0.005 . 1 . . . . . . . . 6077 1 263 . 1 1 28 28 G H5'' H 1 4.442 0.005 . 1 . . . . . . . . 6077 1 264 . 1 1 28 28 G H5' H 1 4.220 0.005 . 1 . . . . . . . . 6077 1 265 . 1 1 28 28 G H8 H 1 8.075 0.003 . 1 . . . . . . . . 6077 1 266 . 1 1 29 29 U C1' C 13 94.081 0.120 . 1 . . . . . . . . 6077 1 267 . 1 1 29 29 U C2' C 13 75.562 0.120 . 1 . . . . . . . . 6077 1 268 . 1 1 29 29 U C4' C 13 82.599 0.120 . 1 . . . . . . . . 6077 1 269 . 1 1 29 29 U C5 C 13 102.636 0.120 . 1 . . . . . . . . 6077 1 270 . 1 1 29 29 U C6 C 13 142.705 0.120 . 1 . . . . . . . . 6077 1 271 . 1 1 29 29 U H1' H 1 5.640 0.003 . 1 . . . . . . . . 6077 1 272 . 1 1 29 29 U H2' H 1 4.601 0.003 . 1 . . . . . . . . 6077 1 273 . 1 1 29 29 U H3' H 1 4.511 0.005 . 1 . . . . . . . . 6077 1 274 . 1 1 29 29 U H4' H 1 4.504 0.005 . 1 . . . . . . . . 6077 1 275 . 1 1 29 29 U H5 H 1 5.162 0.005 . 1 . . . . . . . . 6077 1 276 . 1 1 29 29 U H6 H 1 7.885 0.008 . 1 . . . . . . . . 6077 1 277 . 1 1 30 30 C C5 C 13 97.908 0.120 . 1 . . . . . . . . 6077 1 278 . 1 1 30 30 C H1' H 1 5.601 0.003 . 1 . . . . . . . . 6077 1 279 . 1 1 30 30 C H2' H 1 4.421 0.005 . 1 . . . . . . . . 6077 1 280 . 1 1 30 30 C H3' H 1 4.419 0.005 . 1 . . . . . . . . 6077 1 281 . 1 1 30 30 C H4' H 1 4.473 0.005 . 1 . . . . . . . . 6077 1 282 . 1 1 30 30 C H5 H 1 5.691 0.003 . 1 . . . . . . . . 6077 1 283 . 1 1 30 30 C H5' H 1 4.131 0.005 . 1 . . . . . . . . 6077 1 284 . 1 1 30 30 C H6 H 1 7.884 0.003 . 1 . . . . . . . . 6077 1 285 . 1 1 31 31 C C1' C 13 94.342 0.120 . 1 . . . . . . . . 6077 1 286 . 1 1 31 31 C C5 C 13 97.831 0.120 . 1 . . . . . . . . 6077 1 287 . 1 1 31 31 C C6 C 13 141.587 0.120 . 1 . . . . . . . . 6077 1 288 . 1 1 31 31 C H1' H 1 5.448 0.003 . 1 . . . . . . . . 6077 1 289 . 1 1 31 31 C H2' H 1 4.372 0.005 . 1 . . . . . . . . 6077 1 290 . 1 1 31 31 C H3' H 1 4.473 0.005 . 1 . . . . . . . . 6077 1 291 . 1 1 31 31 C H4' H 1 4.421 0.005 . 1 . . . . . . . . 6077 1 292 . 1 1 31 31 C H5 H 1 5.550 0.003 . 1 . . . . . . . . 6077 1 293 . 1 1 31 31 C H5'' H 1 4.579 0.005 . 1 . . . . . . . . 6077 1 294 . 1 1 31 31 C H5' H 1 4.086 0.005 . 1 . . . . . . . . 6077 1 295 . 1 1 31 31 C H6 H 1 7.809 0.003 . 1 . . . . . . . . 6077 1 296 . 1 1 32 32 U C1' C 13 94.118 0.120 . 1 . . . . . . . . 6077 1 297 . 1 1 32 32 U C5 C 13 103.292 0.120 . 1 . . . . . . . . 6077 1 298 . 1 1 32 32 U C6 C 13 142.612 0.120 . 1 . . . . . . . . 6077 1 299 . 1 1 32 32 U H1' H 1 5.526 0.003 . 1 . . . . . . . . 6077 1 300 . 1 1 32 32 U H2' H 1 4.503 0.003 . 1 . . . . . . . . 6077 1 301 . 1 1 32 32 U H3' H 1 4.553 0.005 . 1 . . . . . . . . 6077 1 302 . 1 1 32 32 U H4' H 1 4.449 0.005 . 1 . . . . . . . . 6077 1 303 . 1 1 32 32 U H5 H 1 5.408 0.003 . 1 . . . . . . . . 6077 1 304 . 1 1 32 32 U H5'' H 1 4.599 0.005 . 1 . . . . . . . . 6077 1 305 . 1 1 32 32 U H5' H 1 4.087 0.005 . 1 . . . . . . . . 6077 1 306 . 1 1 32 32 U H6 H 1 7.962 0.004 . 1 . . . . . . . . 6077 1 307 . 1 1 33 33 C C5 C 13 97.318 0.120 . 1 . . . . . . . . 6077 1 308 . 1 1 33 33 C H1' H 1 5.580 0.003 . 1 . . . . . . . . 6077 1 309 . 1 1 33 33 C H2' H 1 4.208 0.003 . 1 . . . . . . . . 6077 1 310 . 1 1 33 33 C H3' H 1 4.501 0.003 . 1 . . . . . . . . 6077 1 311 . 1 1 33 33 C H4' H 1 4.414 0.005 . 1 . . . . . . . . 6077 1 312 . 1 1 33 33 C H5 H 1 5.655 0.003 . 1 . . . . . . . . 6077 1 313 . 1 1 33 33 C H5'' H 1 4.570 0.005 . 1 . . . . . . . . 6077 1 314 . 1 1 33 33 C H5' H 1 4.076 0.005 . 1 . . . . . . . . 6077 1 315 . 1 1 33 33 C H6 H 1 7.932 0.003 . 1 . . . . . . . . 6077 1 316 . 1 1 34 34 C C3' C 13 69.872 0.120 . 1 . . . . . . . . 6077 1 317 . 1 1 34 34 C C5 C 13 98.138 0.120 . 1 . . . . . . . . 6077 1 318 . 1 1 34 34 C C6 C 13 141.972 0.120 . 1 . . . . . . . . 6077 1 319 . 1 1 34 34 C H1' H 1 5.718 0.003 . 1 . . . . . . . . 6077 1 320 . 1 1 34 34 C H2' H 1 3.987 0.003 . 1 . . . . . . . . 6077 1 321 . 1 1 34 34 C H3' H 1 4.167 0.003 . 1 . . . . . . . . 6077 1 322 . 1 1 34 34 C H4' H 1 4.166 0.005 . 1 . . . . . . . . 6077 1 323 . 1 1 34 34 C H5 H 1 5.483 0.003 . 1 . . . . . . . . 6077 1 324 . 1 1 34 34 C H5'' H 1 4.486 0.005 . 1 . . . . . . . . 6077 1 325 . 1 1 34 34 C H5' H 1 4.030 0.005 . 1 . . . . . . . . 6077 1 326 . 1 1 34 34 C H6 H 1 7.664 0.003 . 1 . . . . . . . . 6077 1 stop_ save_ ################################### # 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6077 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6077 2 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 5.836 0.010 . 1 . . . . . . . . 6077 2 2 . 1 1 1 1 G H8 H 1 8.178 0.010 . 1 . . . . . . . . 6077 2 3 . 1 1 2 2 G H1 H 1 12.412 0.005 . 1 . . . . . . . . 6077 2 4 . 1 1 2 2 G H1' H 1 5.921 0.010 . 1 . . . . . . . . 6077 2 5 . 1 1 2 2 G H2' H 1 4.661 0.010 . 1 . . . . . . . . 6077 2 6 . 1 1 2 2 G H4' H 1 4.559 0.010 . 1 . . . . . . . . 6077 2 7 . 1 1 2 2 G H8 H 1 7.524 0.010 . 1 . . . . . . . . 6077 2 8 . 1 1 3 3 A H1' H 1 5.992 0.010 . 1 . . . . . . . . 6077 2 9 . 1 1 3 3 A H2 H 1 7.456 0.005 . 1 . . . . . . . . 6077 2 10 . 1 1 3 3 A H2' H 1 4.696 0.010 . 1 . . . . . . . . 6077 2 11 . 1 1 3 3 A H61 H 1 8.350 0.010 . 1 . . . . . . . . 6077 2 12 . 1 1 3 3 A H8 H 1 7.756 0.010 . 1 . . . . . . . . 6077 2 13 . 1 1 4 4 G H1 H 1 12.771 0.005 . 1 . . . . . . . . 6077 2 14 . 1 1 4 4 G H1' H 1 5.613 0.010 . 1 . . . . . . . . 6077 2 15 . 1 1 4 4 G H2' H 1 4.546 0.010 . 1 . . . . . . . . 6077 2 16 . 1 1 4 4 G H21 H 1 8.325 0.010 . 1 . . . . . . . . 6077 2 17 . 1 1 4 4 G H22 H 1 6.100 0.010 . 1 . . . . . . . . 6077 2 18 . 1 1 4 4 G H5' H 1 4.030 0.010 . 1 . . . . . . . . 6077 2 19 . 1 1 4 4 G H8 H 1 7.071 0.010 . 1 . . . . . . . . 6077 2 20 . 1 1 5 5 G H1 H 1 12.493 0.005 . 1 . . . . . . . . 6077 2 21 . 1 1 5 5 G H1' H 1 5.707 0.010 . 1 . . . . . . . . 6077 2 22 . 1 1 5 5 G H5' H 1 4.036 0.010 . 1 . . . . . . . . 6077 2 23 . 1 1 5 5 G H8 H 1 7.160 0.010 . 1 . . . . . . . . 6077 2 24 . 1 1 6 6 A H1' H 1 5.986 0.010 . 1 . . . . . . . . 6077 2 25 . 1 1 6 6 A H2 H 1 7.796 0.010 . 1 . . . . . . . . 6077 2 26 . 1 1 6 6 A H2' H 1 4.594 0.010 . 1 . . . . . . . . 6077 2 27 . 1 1 6 6 A H8 H 1 7.824 0.010 . 1 . . . . . . . . 6077 2 28 . 1 1 7 7 C H1' H 1 5.305 0.010 . 1 . . . . . . . . 6077 2 29 . 1 1 7 7 C H2' H 1 4.450 0.010 . 1 . . . . . . . . 6077 2 30 . 1 1 7 7 C H3' H 1 4.273 0.010 . 1 . . . . . . . . 6077 2 31 . 1 1 7 7 C H4' H 1 4.391 0.010 . 1 . . . . . . . . 6077 2 32 . 1 1 7 7 C H41 H 1 8.081 0.013 . 1 . . . . . . . . 6077 2 33 . 1 1 7 7 C H42 H 1 7.040 0.008 . 1 . . . . . . . . 6077 2 34 . 1 1 7 7 C H5 H 1 5.188 0.010 . 1 . . . . . . . . 6077 2 35 . 1 1 7 7 C H5' H 1 4.014 0.010 . 1 . . . . . . . . 6077 2 36 . 1 1 7 7 C H6 H 1 7.249 0.005 . 1 . . . . . . . . 6077 2 37 . 1 1 8 8 A H1' H 1 5.892 0.005 . 1 . . . . . . . . 6077 2 38 . 1 1 8 8 A H2 H 1 7.183 0.010 . 1 . . . . . . . . 6077 2 39 . 1 1 8 8 A H2' H 1 4.348 0.024 . 1 . . . . . . . . 6077 2 40 . 1 1 8 8 A H8 H 1 7.849 0.012 . 1 . . . . . . . . 6077 2 41 . 1 1 9 9 U H1' H 1 5.379 0.010 . 1 . . . . . . . . 6077 2 42 . 1 1 9 9 U H2' H 1 3.994 0.010 . 1 . . . . . . . . 6077 2 43 . 1 1 9 9 U H5 H 1 5.200 0.010 . 1 . . . . . . . . 6077 2 44 . 1 1 9 9 U H5' H 1 3.927 0.010 . 1 . . . . . . . . 6077 2 45 . 1 1 9 9 U H6 H 1 7.329 0.005 . 1 . . . . . . . . 6077 2 46 . 1 1 10 10 U H1' H 1 5.743 0.010 . 1 . . . . . . . . 6077 2 47 . 1 1 10 10 U H2' H 1 4.312 0.010 . 1 . . . . . . . . 6077 2 48 . 1 1 10 10 U H5 H 1 5.670 0.010 . 1 . . . . . . . . 6077 2 49 . 1 1 10 10 U H6 H 1 7.710 0.010 . 1 . . . . . . . . 6077 2 50 . 1 1 11 11 C H1' H 1 5.737 0.010 . 1 . . . . . . . . 6077 2 51 . 1 1 11 11 C H2' H 1 4.360 0.010 . 1 . . . . . . . . 6077 2 52 . 1 1 11 11 C H5 H 1 5.899 0.010 . 1 . . . . . . . . 6077 2 53 . 1 1 11 11 C H6 H 1 7.814 0.010 . 1 . . . . . . . . 6077 2 54 . 1 1 12 12 C H1' H 1 5.703 0.010 . 1 . . . . . . . . 6077 2 55 . 1 1 12 12 C H2' H 1 4.266 0.010 . 1 . . . . . . . . 6077 2 56 . 1 1 12 12 C H5 H 1 5.854 0.010 . 1 . . . . . . . . 6077 2 57 . 1 1 12 12 C H6 H 1 7.747 0.010 . 1 . . . . . . . . 6077 2 58 . 1 1 13 13 U H1' H 1 5.860 0.010 . 1 . . . . . . . . 6077 2 59 . 1 1 13 13 U H2' H 1 4.458 0.010 . 1 . . . . . . . . 6077 2 60 . 1 1 13 13 U H5 H 1 5.812 0.010 . 1 . . . . . . . . 6077 2 61 . 1 1 13 13 U H6 H 1 7.862 0.010 . 1 . . . . . . . . 6077 2 62 . 1 1 14 14 C H1' H 1 5.540 0.010 . 1 . . . . . . . . 6077 2 63 . 1 1 14 14 C H2' H 1 4.539 0.010 . 1 . . . . . . . . 6077 2 64 . 1 1 14 14 C H3' H 1 4.710 0.010 . 1 . . . . . . . . 6077 2 65 . 1 1 14 14 C H41 H 1 8.574 0.020 . 1 . . . . . . . . 6077 2 66 . 1 1 14 14 C H42 H 1 7.311 0.005 . 1 . . . . . . . . 6077 2 67 . 1 1 14 14 C H5 H 1 6.049 0.010 . 1 . . . . . . . . 6077 2 68 . 1 1 14 14 C H6 H 1 8.141 0.005 . 1 . . . . . . . . 6077 2 69 . 1 1 15 15 A H1' H 1 6.034 0.010 . 1 . . . . . . . . 6077 2 70 . 1 1 15 15 A H2 H 1 7.599 0.011 . 1 . . . . . . . . 6077 2 71 . 1 1 15 15 A H2' H 1 4.533 0.026 . 1 . . . . . . . . 6077 2 72 . 1 1 15 15 A H3' H 1 4.842 0.010 . 1 . . . . . . . . 6077 2 73 . 1 1 15 15 A H8 H 1 8.316 0.010 . 1 . . . . . . . . 6077 2 74 . 1 1 16 16 C H1' H 1 5.518 0.010 . 1 . . . . . . . . 6077 2 75 . 1 1 16 16 C H2' H 1 4.372 0.010 . 1 . . . . . . . . 6077 2 76 . 1 1 16 16 C H41 H 1 8.307 0.010 . 1 . . . . . . . . 6077 2 77 . 1 1 16 16 C H42 H 1 6.955 0.010 . 1 . . . . . . . . 6077 2 78 . 1 1 16 16 C H5 H 1 5.313 0.005 . 1 . . . . . . . . 6077 2 79 . 1 1 16 16 C H6 H 1 7.623 0.011 . 1 . . . . . . . . 6077 2 80 . 1 1 17 17 G H1 H 1 12.414 0.005 . 1 . . . . . . . . 6077 2 81 . 1 1 17 17 G H1' H 1 5.749 0.010 . 1 . . . . . . . . 6077 2 82 . 1 1 17 17 G H2' H 1 4.500 0.010 . 1 . . . . . . . . 6077 2 83 . 1 1 17 17 G H3' H 1 4.618 0.010 . 1 . . . . . . . . 6077 2 84 . 1 1 17 17 G H8 H 1 7.530 0.010 . 1 . . . . . . . . 6077 2 85 . 1 1 18 18 G H1 H 1 13.118 0.005 . 1 . . . . . . . . 6077 2 86 . 1 1 18 18 G H1' H 1 5.779 0.010 . 1 . . . . . . . . 6077 2 87 . 1 1 18 18 G H2' H 1 4.561 0.010 . 1 . . . . . . . . 6077 2 88 . 1 1 18 18 G H8 H 1 7.179 0.010 . 1 . . . . . . . . 6077 2 89 . 1 1 19 19 G H1 H 1 10.890 0.005 . 1 . . . . . . . . 6077 2 90 . 1 1 19 19 G H1' H 1 5.782 0.010 . 1 . . . . . . . . 6077 2 91 . 1 1 19 19 G H22 H 1 6.926 0.010 . 1 . . . . . . . . 6077 2 92 . 1 1 20 20 U H5 H 1 5.401 0.010 . 1 . . . . . . . . 6077 2 93 . 1 1 20 20 U H6 H 1 7.762 0.010 . 1 . . . . . . . . 6077 2 94 . 1 1 21 21 G H1 H 1 10.528 0.010 . 1 . . . . . . . . 6077 2 95 . 1 1 21 21 G H1' H 1 5.470 0.010 . 1 . . . . . . . . 6077 2 96 . 1 1 21 21 G H2' H 1 4.279 0.010 . 1 . . . . . . . . 6077 2 97 . 1 1 21 21 G H21 H 1 6.174 0.010 . 1 . . . . . . . . 6077 2 98 . 1 1 21 21 G H3' H 1 4.661 0.010 . 1 . . . . . . . . 6077 2 99 . 1 1 21 21 G H5'' H 1 3.947 0.010 . 1 . . . . . . . . 6077 2 100 . 1 1 21 21 G H5' H 1 4.128 0.010 . 1 . . . . . . . . 6077 2 101 . 1 1 21 21 G H8 H 1 7.781 0.010 . 1 . . . . . . . . 6077 2 102 . 1 1 22 22 A H1' H 1 6.123 0.010 . 1 . . . . . . . . 6077 2 103 . 1 1 22 22 A H2 H 1 8.250 0.010 . 1 . . . . . . . . 6077 2 104 . 1 1 22 22 A H3' H 1 4.953 0.010 . 1 . . . . . . . . 6077 2 105 . 1 1 22 22 A H4' H 1 4.471 0.010 . 1 . . . . . . . . 6077 2 106 . 1 1 22 22 A H8 H 1 8.285 0.005 . 1 . . . . . . . . 6077 2 107 . 1 1 23 23 C H1' H 1 3.769 0.036 . 1 . . . . . . . . 6077 2 108 . 1 1 23 23 C H2' H 1 4.341 0.010 . 1 . . . . . . . . 6077 2 109 . 1 1 23 23 C H4' H 1 4.169 0.010 . 1 . . . . . . . . 6077 2 110 . 1 1 23 23 C H41 H 1 8.757 0.005 . 1 . . . . . . . . 6077 2 111 . 1 1 23 23 C H42 H 1 7.098 0.010 . 1 . . . . . . . . 6077 2 112 . 1 1 23 23 C H5 H 1 6.073 0.005 . 1 . . . . . . . . 6077 2 113 . 1 1 23 23 C H6 H 1 7.915 0.008 . 1 . . . . . . . . 6077 2 114 . 1 1 24 24 C H1' H 1 5.513 0.010 . 1 . . . . . . . . 6077 2 115 . 1 1 24 24 C H2' H 1 4.577 0.010 . 1 . . . . . . . . 6077 2 116 . 1 1 24 24 C H41 H 1 8.489 0.005 . 1 . . . . . . . . 6077 2 117 . 1 1 24 24 C H42 H 1 6.939 0.006 . 1 . . . . . . . . 6077 2 118 . 1 1 24 24 C H5 H 1 5.640 0.010 . 1 . . . . . . . . 6077 2 119 . 1 1 24 24 C H6 H 1 7.772 0.010 . 1 . . . . . . . . 6077 2 120 . 1 1 25 25 G H1 H 1 12.954 0.005 . 1 . . . . . . . . 6077 2 121 . 1 1 25 25 G H21 H 1 8.141 0.010 . 1 . . . . . . . . 6077 2 122 . 1 1 25 25 G H22 H 1 5.992 0.010 . 1 . . . . . . . . 6077 2 123 . 1 1 25 25 G H8 H 1 7.639 0.010 . 1 . . . . . . . . 6077 2 124 . 1 1 26 26 U H1' H 1 5.525 0.010 . 1 . . . . . . . . 6077 2 125 . 1 1 26 26 U H2' H 1 4.356 0.010 . 1 . . . . . . . . 6077 2 126 . 1 1 26 26 U H3 H 1 14.117 0.011 . 1 . . . . . . . . 6077 2 127 . 1 1 26 26 U H5 H 1 5.158 0.010 . 1 . . . . . . . . 6077 2 128 . 1 1 26 26 U H6 H 1 7.748 0.010 . 1 . . . . . . . . 6077 2 129 . 1 1 27 27 G H1 H 1 12.616 0.005 . 1 . . . . . . . . 6077 2 130 . 1 1 27 27 G H1' H 1 6.015 0.010 . 1 . . . . . . . . 6077 2 131 . 1 1 27 27 G H2' H 1 4.334 0.010 . 1 . . . . . . . . 6077 2 132 . 1 1 27 27 G H21 H 1 8.489 0.010 . 1 . . . . . . . . 6077 2 133 . 1 1 27 27 G H22 H 1 6.428 0.010 . 1 . . . . . . . . 6077 2 134 . 1 1 27 27 G H3' H 1 4.816 0.010 . 1 . . . . . . . . 6077 2 135 . 1 1 27 27 G H4' H 1 4.549 0.010 . 1 . . . . . . . . 6077 2 136 . 1 1 27 27 G H8 H 1 7.786 0.010 . 1 . . . . . . . . 6077 2 137 . 1 1 28 28 G H1 H 1 12.628 0.005 . 1 . . . . . . . . 6077 2 138 . 1 1 28 28 G H1' H 1 5.841 0.010 . 1 . . . . . . . . 6077 2 139 . 1 1 28 28 G H2' H 1 4.731 0.010 . 1 . . . . . . . . 6077 2 140 . 1 1 28 28 G H21 H 1 8.488 0.010 . 1 . . . . . . . . 6077 2 141 . 1 1 28 28 G H22 H 1 6.437 0.010 . 1 . . . . . . . . 6077 2 142 . 1 1 28 28 G H8 H 1 8.085 0.010 . 1 . . . . . . . . 6077 2 143 . 1 1 29 29 U H1' H 1 5.623 0.011 . 1 . . . . . . . . 6077 2 144 . 1 1 29 29 U H2' H 1 4.617 0.010 . 1 . . . . . . . . 6077 2 145 . 1 1 29 29 U H3 H 1 14.356 0.005 . 1 . . . . . . . . 6077 2 146 . 1 1 29 29 U H5 H 1 5.150 0.010 . 1 . . . . . . . . 6077 2 147 . 1 1 29 29 U H6 H 1 7.889 0.010 . 1 . . . . . . . . 6077 2 148 . 1 1 30 30 C H1' H 1 5.588 0.010 . 1 . . . . . . . . 6077 2 149 . 1 1 30 30 C H41 H 1 8.540 0.010 . 1 . . . . . . . . 6077 2 150 . 1 1 30 30 C H42 H 1 7.053 0.010 . 1 . . . . . . . . 6077 2 151 . 1 1 30 30 C H5 H 1 5.674 0.010 . 1 . . . . . . . . 6077 2 152 . 1 1 30 30 C H6 H 1 7.891 0.010 . 1 . . . . . . . . 6077 2 153 . 1 1 31 31 C H1' H 1 5.436 0.010 . 1 . . . . . . . . 6077 2 154 . 1 1 31 31 C H41 H 1 8.522 0.010 . 1 . . . . . . . . 6077 2 155 . 1 1 31 31 C H42 H 1 6.969 0.010 . 1 . . . . . . . . 6077 2 156 . 1 1 31 31 C H5 H 1 5.545 0.010 . 1 . . . . . . . . 6077 2 157 . 1 1 31 31 C H6 H 1 7.804 0.010 . 1 . . . . . . . . 6077 2 158 . 1 1 32 32 U H1' H 1 5.515 0.010 . 1 . . . . . . . . 6077 2 159 . 1 1 32 32 U H2' H 1 4.533 0.010 . 1 . . . . . . . . 6077 2 160 . 1 1 32 32 U H3 H 1 14.069 0.005 . 1 . . . . . . . . 6077 2 161 . 1 1 32 32 U H5 H 1 5.406 0.010 . 1 . . . . . . . . 6077 2 162 . 1 1 32 32 U H6 H 1 7.951 0.010 . 1 . . . . . . . . 6077 2 163 . 1 1 33 33 C H1' H 1 5.568 0.010 . 1 . . . . . . . . 6077 2 164 . 1 1 33 33 C H2' H 1 4.205 0.010 . 1 . . . . . . . . 6077 2 165 . 1 1 33 33 C H41 H 1 8.364 0.010 . 1 . . . . . . . . 6077 2 166 . 1 1 33 33 C H42 H 1 7.060 0.010 . 1 . . . . . . . . 6077 2 167 . 1 1 33 33 C H5 H 1 5.635 0.010 . 1 . . . . . . . . 6077 2 168 . 1 1 33 33 C H6 H 1 7.933 0.010 . 1 . . . . . . . . 6077 2 169 . 1 1 34 34 C H5 H 1 5.465 0.010 . 1 . . . . . . . . 6077 2 170 . 1 1 34 34 C H6 H 1 7.644 0.010 . 1 . . . . . . . . 6077 2 stop_ save_