################################### # 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 25826 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 . _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 '2D 1H-1H NOESY' . . . 25826 1 3 '2D 1H-1H TOCSY' . . . 25826 1 4 '2D 1H-13C HSQC' . . . 25826 1 5 '3D 1H-13C NOESY' . . . 25826 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 5.827 0.001 . 1 . . . A 19 G H1' . 25826 1 2 . 1 1 1 1 G H2' H 1 4.955 0.003 . 2 . . . A 19 G H2' . 25826 1 3 . 1 1 1 1 G H3' H 1 4.703 0.004 . 1 . . . A 19 G H3' . 25826 1 4 . 1 1 1 1 G H4' H 1 4.554 0.002 . 1 . . . A 19 G H4' . 25826 1 5 . 1 1 1 1 G H5' H 1 4.266 0.003 . 2 . . . A 19 G H5' . 25826 1 6 . 1 1 1 1 G H5'' H 1 4.417 0.005 . 2 . . . A 19 G H5'' . 25826 1 7 . 1 1 1 1 G H8 H 1 8.128 0.003 . 1 . . . A 19 G H8 . 25826 1 8 . 1 1 1 1 G C1' C 13 91.546 0.029 . 1 . . . A 19 G C1' . 25826 1 9 . 1 1 1 1 G C2' C 13 75.120 0.024 . 1 . . . A 19 G C2' . 25826 1 10 . 1 1 1 1 G C3' C 13 75.836 0.028 . 1 . . . A 19 G C3' . 25826 1 11 . 1 1 1 1 G C4' C 13 83.461 0.024 . 1 . . . A 19 G C4' . 25826 1 12 . 1 1 1 1 G C5' C 13 67.346 0.003 . 1 . . . A 19 G C5' . 25826 1 13 . 1 1 1 1 G C8 C 13 139.163 0.021 . 1 . . . A 19 G C8 . 25826 1 14 . 1 1 2 2 G H1' H 1 5.912 0.003 . 1 . . . A 20 G H1' . 25826 1 15 . 1 1 2 2 G H2' H 1 4.535 0.005 . 2 . . . A 20 G H2' . 25826 1 16 . 1 1 2 2 G H4' H 1 4.546 0.003 . 1 . . . A 20 G H4' . 25826 1 17 . 1 1 2 2 G H5' H 1 4.250 0.004 . 2 . . . A 20 G H5' . 25826 1 18 . 1 1 2 2 G H5'' H 1 4.499 0.009 . 2 . . . A 20 G H5'' . 25826 1 19 . 1 1 2 2 G H8 H 1 7.544 0.002 . 1 . . . A 20 G H8 . 25826 1 20 . 1 1 2 2 G C1' C 13 93.108 0.044 . 1 . . . A 20 G C1' . 25826 1 21 . 1 1 2 2 G C2' C 13 75.372 0.005 . 1 . . . A 20 G C2' . 25826 1 22 . 1 1 2 2 G C4' C 13 82.664 0.015 . 1 . . . A 20 G C4' . 25826 1 23 . 1 1 2 2 G C5' C 13 66.305 0.004 . 1 . . . A 20 G C5' . 25826 1 24 . 1 1 2 2 G C8 C 13 137.063 0.025 . 1 . . . A 20 G C8 . 25826 1 25 . 1 1 3 3 U H1' H 1 5.539 0.009 . 1 . . . A 21 U H1' . 25826 1 26 . 1 1 3 3 U H2' H 1 4.508 0.002 . 1 . . . A 21 U H2' . 25826 1 27 . 1 1 3 3 U H3' H 1 4.589 0.006 . 1 . . . A 21 U H3' . 25826 1 28 . 1 1 3 3 U H4' H 1 4.465 0.002 . 1 . . . A 21 U H4' . 25826 1 29 . 1 1 3 3 U H5 H 1 5.159 0.004 . 1 . . . A 21 U H5 . 25826 1 30 . 1 1 3 3 U H5' H 1 4.137 0.003 . 2 . . . A 21 U H5' . 25826 1 31 . 1 1 3 3 U H5'' H 1 4.584 0.010 . 2 . . . A 21 U H5'' . 25826 1 32 . 1 1 3 3 U H6 H 1 7.763 0.005 . 1 . . . A 21 U H6 . 25826 1 33 . 1 1 3 3 U C1' C 13 93.651 0.029 . 1 . . . A 21 U C1' . 25826 1 34 . 1 1 3 3 U C2' C 13 75.373 0.009 . 1 . . . A 21 U C2' . 25826 1 35 . 1 1 3 3 U C3' C 13 72.152 0.014 . 1 . . . A 21 U C3' . 25826 1 36 . 1 1 3 3 U C4' C 13 82.199 0.013 . 1 . . . A 21 U C4' . 25826 1 37 . 1 1 3 3 U C5 C 13 103.000 0.010 . 1 . . . A 21 U C5 . 25826 1 38 . 1 1 3 3 U C5' C 13 64.510 0.002 . 1 . . . A 21 U C5' . 25826 1 39 . 1 1 3 3 U C6 C 13 141.441 0.010 . 1 . . . A 21 U C6 . 25826 1 40 . 1 1 4 4 A H1' H 1 6.038 0.002 . 1 . . . A 22 A H1' . 25826 1 41 . 1 1 4 4 A H2 H 1 6.903 0.001 . 1 . . . A 22 A H2 . 25826 1 42 . 1 1 4 4 A H2' H 1 4.742 0.004 . 2 . . . A 22 A H2' . 25826 1 43 . 1 1 4 4 A H3' H 1 4.733 0.006 . 1 . . . A 22 A H3' . 25826 1 44 . 1 1 4 4 A H4' H 1 4.500 0.006 . 1 . . . A 22 A H4' . 25826 1 45 . 1 1 4 4 A H5' H 1 4.182 0.004 . 2 . . . A 22 A H5' . 25826 1 46 . 1 1 4 4 A H5'' H 1 4.566 0.006 . 2 . . . A 22 A H5'' . 25826 1 47 . 1 1 4 4 A H8 H 1 8.103 0.002 . 1 . . . A 22 A H8 . 25826 1 48 . 1 1 4 4 A C1' C 13 92.472 0.050 . 1 . . . A 22 A C1' . 25826 1 49 . 1 1 4 4 A C2 C 13 152.966 0.000 . 1 . . . A 22 A C2 . 25826 1 50 . 1 1 4 4 A C2' C 13 75.983 0.016 . 1 . . . A 22 A C2' . 25826 1 51 . 1 1 4 4 A C3' C 13 73.101 0.035 . 1 . . . A 22 A C3' . 25826 1 52 . 1 1 4 4 A C4' C 13 81.987 0.002 . 1 . . . A 22 A C4' . 25826 1 53 . 1 1 4 4 A C5' C 13 65.172 0.001 . 1 . . . A 22 A C5' . 25826 1 54 . 1 1 4 4 A C8 C 13 139.560 0.044 . 1 . . . A 22 A C8 . 25826 1 55 . 1 1 5 5 G H1' H 1 5.421 0.002 . 1 . . . A 23 G H1' . 25826 1 56 . 1 1 5 5 G H2' H 1 4.482 0.004 . 2 . . . A 23 G H2' . 25826 1 57 . 1 1 5 5 G H3' H 1 4.048 0.006 . 1 . . . A 23 G H3' . 25826 1 58 . 1 1 5 5 G H4' H 1 4.465 0.009 . 1 . . . A 23 G H4' . 25826 1 59 . 1 1 5 5 G H5' H 1 4.039 0.003 . 2 . . . A 23 G H5' . 25826 1 60 . 1 1 5 5 G H5'' H 1 4.339 0.009 . 2 . . . A 23 G H5'' . 25826 1 61 . 1 1 5 5 G H8 H 1 7.012 0.005 . 1 . . . A 23 G H8 . 25826 1 62 . 1 1 5 5 G C1' C 13 92.750 0.018 . 1 . . . A 23 G C1' . 25826 1 63 . 1 1 5 5 G C2' C 13 75.391 0.025 . 1 . . . A 23 G C2' . 25826 1 64 . 1 1 5 5 G C3' C 13 73.638 0.022 . 1 . . . A 23 G C3' . 25826 1 65 . 1 1 5 5 G C4' C 13 82.344 0.000 . 1 . . . A 23 G C4' . 25826 1 66 . 1 1 5 5 G C5' C 13 67.308 0.007 . 1 . . . A 23 G C5' . 25826 1 67 . 1 1 5 5 G C8 C 13 135.585 0.021 . 1 . . . A 23 G C8 . 25826 1 68 . 1 1 6 6 U H1' H 1 5.370 0.001 . 1 . . . A 24 U H1' . 25826 1 69 . 1 1 6 6 U H2' H 1 4.180 0.004 . 1 . . . A 24 U H2' . 25826 1 70 . 1 1 6 6 U H3' H 1 4.352 0.007 . 1 . . . A 24 U H3' . 25826 1 71 . 1 1 6 6 U H4' H 1 4.356 0.001 . 1 . . . A 24 U H4' . 25826 1 72 . 1 1 6 6 U H5 H 1 5.180 0.005 . 1 . . . A 24 U H5 . 25826 1 73 . 1 1 6 6 U H5' H 1 4.027 0.009 . 2 . . . A 24 U H5' . 25826 1 74 . 1 1 6 6 U H5'' H 1 4.416 0.006 . 2 . . . A 24 U H5'' . 25826 1 75 . 1 1 6 6 U H6 H 1 7.459 0.003 . 1 . . . A 24 U H6 . 25826 1 76 . 1 1 6 6 U C1' C 13 94.272 0.054 . 1 . . . A 24 U C1' . 25826 1 77 . 1 1 6 6 U C2' C 13 75.098 0.023 . 1 . . . A 24 U C2' . 25826 1 78 . 1 1 6 6 U C3' C 13 72.141 0.022 . 1 . . . A 24 U C3' . 25826 1 79 . 1 1 6 6 U C4' C 13 82.591 0.000 . 1 . . . A 24 U C4' . 25826 1 80 . 1 1 6 6 U C5 C 13 103.655 0.031 . 1 . . . A 24 U C5 . 25826 1 81 . 1 1 6 6 U C5' C 13 64.455 0.007 . 1 . . . A 24 U C5' . 25826 1 82 . 1 1 6 6 U C6 C 13 140.692 0.013 . 1 . . . A 24 U C6 . 25826 1 83 . 1 1 7 7 U H1' H 1 5.569 0.007 . 1 . . . A 25 U H1' . 25826 1 84 . 1 1 7 7 U H2' H 1 4.090 0.003 . 1 . . . A 25 U H2' . 25826 1 85 . 1 1 7 7 U H3' H 1 4.556 0.007 . 1 . . . A 25 U H3' . 25826 1 86 . 1 1 7 7 U H4' H 1 4.322 0.004 . 1 . . . A 25 U H4' . 25826 1 87 . 1 1 7 7 U H5 H 1 5.487 0.004 . 1 . . . A 25 U H5 . 25826 1 88 . 1 1 7 7 U H5' H 1 4.031 0.003 . 2 . . . A 25 U H5' . 25826 1 89 . 1 1 7 7 U H5'' H 1 4.526 0.008 . 2 . . . A 25 U H5'' . 25826 1 90 . 1 1 7 7 U H6 H 1 7.977 0.004 . 1 . . . A 25 U H6 . 25826 1 91 . 1 1 7 7 U C1' C 13 93.316 0.027 . 1 . . . A 25 U C1' . 25826 1 92 . 1 1 7 7 U C2' C 13 75.601 0.020 . 1 . . . A 25 U C2' . 25826 1 93 . 1 1 7 7 U C3' C 13 72.381 0.011 . 1 . . . A 25 U C3' . 25826 1 94 . 1 1 7 7 U C4' C 13 82.281 0.000 . 1 . . . A 25 U C4' . 25826 1 95 . 1 1 7 7 U C5 C 13 103.018 0.009 . 1 . . . A 25 U C5 . 25826 1 96 . 1 1 7 7 U C5' C 13 64.272 0.000 . 1 . . . A 25 U C5' . 25826 1 97 . 1 1 7 7 U C6 C 13 142.770 0.063 . 1 . . . A 25 U C6 . 25826 1 98 . 1 1 8 8 U H1' H 1 5.784 0.001 . 1 . . . A 26 U H1' . 25826 1 99 . 1 1 8 8 U H2' H 1 4.653 0.005 . 1 . . . A 26 U H2' . 25826 1 100 . 1 1 8 8 U H3' H 1 4.465 0.006 . 1 . . . A 26 U H3' . 25826 1 101 . 1 1 8 8 U H4' H 1 4.362 0.004 . 1 . . . A 26 U H4' . 25826 1 102 . 1 1 8 8 U H5 H 1 5.606 0.002 . 1 . . . A 26 U H5 . 25826 1 103 . 1 1 8 8 U H6 H 1 7.970 0.002 . 1 . . . A 26 U H6 . 25826 1 104 . 1 1 8 8 U C1' C 13 92.815 0.019 . 1 . . . A 26 U C1' . 25826 1 105 . 1 1 8 8 U C2' C 13 75.414 0.014 . 1 . . . A 26 U C2' . 25826 1 106 . 1 1 8 8 U C3' C 13 72.940 0.023 . 1 . . . A 26 U C3' . 25826 1 107 . 1 1 8 8 U C4' C 13 82.186 0.007 . 1 . . . A 26 U C4' . 25826 1 108 . 1 1 8 8 U C5 C 13 103.108 0.022 . 1 . . . A 26 U C5 . 25826 1 109 . 1 1 8 8 U C6 C 13 142.612 0.038 . 1 . . . A 26 U C6 . 25826 1 110 . 1 1 9 9 U H1' H 1 5.557 0.006 . 1 . . . A 27 U H1' . 25826 1 111 . 1 1 9 9 U H2' H 1 4.338 0.007 . 1 . . . A 27 U H2' . 25826 1 112 . 1 1 9 9 U H3' H 1 4.359 0.007 . 1 . . . A 27 U H3' . 25826 1 113 . 1 1 9 9 U H4' H 1 4.426 0.004 . 1 . . . A 27 U H4' . 25826 1 114 . 1 1 9 9 U H5 H 1 5.651 0.003 . 1 . . . A 27 U H5 . 25826 1 115 . 1 1 9 9 U H5' H 1 4.112 0.005 . 2 . . . A 27 U H5' . 25826 1 116 . 1 1 9 9 U H5'' H 1 4.361 0.007 . 2 . . . A 27 U H5'' . 25826 1 117 . 1 1 9 9 U H6 H 1 7.684 0.004 . 1 . . . A 27 U H6 . 25826 1 118 . 1 1 9 9 U C1' C 13 94.303 0.068 . 1 . . . A 27 U C1' . 25826 1 119 . 1 1 9 9 U C2' C 13 75.578 0.015 . 1 . . . A 27 U C2' . 25826 1 120 . 1 1 9 9 U C3' C 13 73.978 0.024 . 1 . . . A 27 U C3' . 25826 1 121 . 1 1 9 9 U C4' C 13 83.332 0.033 . 1 . . . A 27 U C4' . 25826 1 122 . 1 1 9 9 U C5 C 13 105.264 0.025 . 1 . . . A 27 U C5 . 25826 1 123 . 1 1 9 9 U C5' C 13 66.838 0.002 . 1 . . . A 27 U C5' . 25826 1 124 . 1 1 9 9 U C6 C 13 141.440 0.027 . 1 . . . A 27 U C6 . 25826 1 125 . 1 1 10 10 G H1' H 1 5.567 0.002 . 1 . . . A 28 G H1' . 25826 1 126 . 1 1 10 10 G H2' H 1 4.494 0.004 . 2 . . . A 28 G H2' . 25826 1 127 . 1 1 10 10 G H3' H 1 4.706 0.003 . 1 . . . A 28 G H3' . 25826 1 128 . 1 1 10 10 G H4' H 1 4.375 0.003 . 1 . . . A 28 G H4' . 25826 1 129 . 1 1 10 10 G H5' H 1 4.068 0.004 . 2 . . . A 28 G H5' . 25826 1 130 . 1 1 10 10 G H5'' H 1 4.334 0.007 . 2 . . . A 28 G H5'' . 25826 1 131 . 1 1 10 10 G H8 H 1 7.892 0.004 . 1 . . . A 28 G H8 . 25826 1 132 . 1 1 10 10 G C1' C 13 90.641 0.035 . 1 . . . A 28 G C1' . 25826 1 133 . 1 1 10 10 G C2' C 13 75.684 0.013 . 1 . . . A 28 G C2' . 25826 1 134 . 1 1 10 10 G C3' C 13 76.097 0.000 . 1 . . . A 28 G C3' . 25826 1 135 . 1 1 10 10 G C4' C 13 84.229 0.022 . 1 . . . A 28 G C4' . 25826 1 136 . 1 1 10 10 G C5' C 13 66.481 0.007 . 1 . . . A 28 G C5' . 25826 1 137 . 1 1 10 10 G C8 C 13 138.622 0.008 . 1 . . . A 28 G C8 . 25826 1 138 . 1 1 11 11 G H1' H 1 5.597 0.003 . 1 . . . A 29 G H1' . 25826 1 139 . 1 1 11 11 G H2' H 1 4.675 0.005 . 2 . . . A 29 G H2' . 25826 1 140 . 1 1 11 11 G H3' H 1 4.624 0.004 . 1 . . . A 29 G H3' . 25826 1 141 . 1 1 11 11 G H4' H 1 4.325 0.001 . 1 . . . A 29 G H4' . 25826 1 142 . 1 1 11 11 G H5' H 1 4.063 0.006 . 2 . . . A 29 G H5' . 25826 1 143 . 1 1 11 11 G H5'' H 1 4.189 0.004 . 2 . . . A 29 G H5'' . 25826 1 144 . 1 1 11 11 G H8 H 1 7.850 0.004 . 1 . . . A 29 G H8 . 25826 1 145 . 1 1 11 11 G C1' C 13 89.593 0.019 . 1 . . . A 29 G C1' . 25826 1 146 . 1 1 11 11 G C2' C 13 75.287 0.026 . 1 . . . A 29 G C2' . 25826 1 147 . 1 1 11 11 G C3' C 13 77.061 0.017 . 1 . . . A 29 G C3' . 25826 1 148 . 1 1 11 11 G C4' C 13 85.029 0.016 . 1 . . . A 29 G C4' . 25826 1 149 . 1 1 11 11 G C5' C 13 67.535 0.005 . 1 . . . A 29 G C5' . 25826 1 150 . 1 1 11 11 G C8 C 13 140.205 0.028 . 1 . . . A 29 G C8 . 25826 1 151 . 1 1 12 12 C H1' H 1 5.766 0.004 . 1 . . . A 30 C H1' . 25826 1 152 . 1 1 12 12 C H2' H 1 4.107 0.004 . 2 . . . A 30 C H2' . 25826 1 153 . 1 1 12 12 C H3' H 1 4.514 0.005 . 1 . . . A 30 C H3' . 25826 1 154 . 1 1 12 12 C H4' H 1 4.107 0.001 . 1 . . . A 30 C H4' . 25826 1 155 . 1 1 12 12 C H5 H 1 5.706 0.003 . 1 . . . A 30 C H5 . 25826 1 156 . 1 1 12 12 C H5' H 1 3.751 0.002 . 2 . . . A 30 C H5' . 25826 1 157 . 1 1 12 12 C H5'' H 1 3.919 0.005 . 2 . . . A 30 C H5'' . 25826 1 158 . 1 1 12 12 C H6 H 1 7.536 0.002 . 1 . . . A 30 C H6 . 25826 1 159 . 1 1 12 12 C C1' C 13 90.770 0.004 . 1 . . . A 30 C C1' . 25826 1 160 . 1 1 12 12 C C2' C 13 76.719 0.022 . 1 . . . A 30 C C2' . 25826 1 161 . 1 1 12 12 C C3' C 13 77.251 0.022 . 1 . . . A 30 C C3' . 25826 1 162 . 1 1 12 12 C C4' C 13 84.645 0.030 . 1 . . . A 30 C C4' . 25826 1 163 . 1 1 12 12 C C5 C 13 98.826 0.021 . 1 . . . A 30 C C5 . 25826 1 164 . 1 1 12 12 C C5' C 13 67.527 0.000 . 1 . . . A 30 C C5' . 25826 1 165 . 1 1 12 12 C C6 C 13 143.295 0.027 . 1 . . . A 30 C C6 . 25826 1 166 . 1 1 13 13 A H1' H 1 5.914 0.003 . 1 . . . A 31 A H1' . 25826 1 167 . 1 1 13 13 A H2 H 1 7.945 0.002 . 1 . . . A 31 A H2 . 25826 1 168 . 1 1 13 13 A H2' H 1 4.836 0.007 . 2 . . . A 31 A H2' . 25826 1 169 . 1 1 13 13 A H3' H 1 4.822 0.007 . 1 . . . A 31 A H3' . 25826 1 170 . 1 1 13 13 A H4' H 1 4.451 0.002 . 1 . . . A 31 A H4' . 25826 1 171 . 1 1 13 13 A H5' H 1 4.102 0.004 . 2 . . . A 31 A H5' . 25826 1 172 . 1 1 13 13 A H5'' H 1 4.228 0.006 . 2 . . . A 31 A H5'' . 25826 1 173 . 1 1 13 13 A H8 H 1 8.221 0.001 . 1 . . . A 31 A H8 . 25826 1 174 . 1 1 13 13 A C1' C 13 90.356 0.054 . 1 . . . A 31 A C1' . 25826 1 175 . 1 1 13 13 A C2 C 13 155.073 0.000 . 1 . . . A 31 A C2 . 25826 1 176 . 1 1 13 13 A C2' C 13 76.055 0.014 . 1 . . . A 31 A C2' . 25826 1 177 . 1 1 13 13 A C3' C 13 77.056 0.010 . 1 . . . A 31 A C3' . 25826 1 178 . 1 1 13 13 A C4' C 13 85.274 0.035 . 1 . . . A 31 A C4' . 25826 1 179 . 1 1 13 13 A C5' C 13 68.114 0.014 . 1 . . . A 31 A C5' . 25826 1 180 . 1 1 13 13 A C8 C 13 142.352 0.018 . 1 . . . A 31 A C8 . 25826 1 181 . 1 1 14 14 U H1' H 1 5.935 0.003 . 1 . . . A 32 U H1' . 25826 1 182 . 1 1 14 14 U H2' H 1 4.449 0.003 . 1 . . . A 32 U H2' . 25826 1 183 . 1 1 14 14 U H3' H 1 4.678 0.003 . 1 . . . A 32 U H3' . 25826 1 184 . 1 1 14 14 U H4' H 1 4.520 0.004 . 1 . . . A 32 U H4' . 25826 1 185 . 1 1 14 14 U H5 H 1 5.811 0.002 . 1 . . . A 32 U H5 . 25826 1 186 . 1 1 14 14 U H5' H 1 4.222 0.007 . 2 . . . A 32 U H5' . 25826 1 187 . 1 1 14 14 U H5'' H 1 4.269 0.008 . 2 . . . A 32 U H5'' . 25826 1 188 . 1 1 14 14 U H6 H 1 7.817 0.003 . 1 . . . A 32 U H6 . 25826 1 189 . 1 1 14 14 U C1' C 13 90.852 0.032 . 1 . . . A 32 U C1' . 25826 1 190 . 1 1 14 14 U C2' C 13 75.649 0.004 . 1 . . . A 32 U C2' . 25826 1 191 . 1 1 14 14 U C3' C 13 76.699 0.021 . 1 . . . A 32 U C3' . 25826 1 192 . 1 1 14 14 U C4' C 13 85.067 0.042 . 1 . . . A 32 U C4' . 25826 1 193 . 1 1 14 14 U C5 C 13 105.303 0.043 . 1 . . . A 32 U C5 . 25826 1 194 . 1 1 14 14 U C5' C 13 67.970 0.001 . 1 . . . A 32 U C5' . 25826 1 195 . 1 1 14 14 U C6 C 13 143.775 0.011 . 1 . . . A 32 U C6 . 25826 1 196 . 1 1 15 15 G H1' H 1 5.177 0.004 . 1 . . . A 33 G H1' . 25826 1 197 . 1 1 15 15 G H2' H 1 4.684 0.006 . 2 . . . A 33 G H2' . 25826 1 198 . 1 1 15 15 G H3' H 1 4.488 0.003 . 1 . . . A 33 G H3' . 25826 1 199 . 1 1 15 15 G H4' H 1 4.491 0.004 . 1 . . . A 33 G H4' . 25826 1 200 . 1 1 15 15 G H5' H 1 4.212 0.003 . 2 . . . A 33 G H5' . 25826 1 201 . 1 1 15 15 G H5'' H 1 4.366 0.008 . 2 . . . A 33 G H5'' . 25826 1 202 . 1 1 15 15 G H8 H 1 7.813 0.003 . 1 . . . A 33 G H8 . 25826 1 203 . 1 1 15 15 G C1' C 13 92.521 0.014 . 1 . . . A 33 G C1' . 25826 1 204 . 1 1 15 15 G C2' C 13 75.161 0.031 . 1 . . . A 33 G C2' . 25826 1 205 . 1 1 15 15 G C3' C 13 74.557 0.031 . 1 . . . A 33 G C3' . 25826 1 206 . 1 1 15 15 G C4' C 13 83.142 0.059 . 1 . . . A 33 G C4' . 25826 1 207 . 1 1 15 15 G C5' C 13 67.800 0.038 . 1 . . . A 33 G C5' . 25826 1 208 . 1 1 15 15 G C8 C 13 138.362 0.072 . 1 . . . A 33 G C8 . 25826 1 209 . 1 1 16 16 A H1' H 1 5.903 0.002 . 1 . . . A 34 A H1' . 25826 1 210 . 1 1 16 16 A H2 H 1 7.971 0.002 . 1 . . . A 34 A H2 . 25826 1 211 . 1 1 16 16 A H2' H 1 4.595 0.001 . 2 . . . A 34 A H2' . 25826 1 212 . 1 1 16 16 A H3' H 1 4.482 0.006 . 1 . . . A 34 A H3' . 25826 1 213 . 1 1 16 16 A H4' H 1 4.482 0.010 . 1 . . . A 34 A H4' . 25826 1 214 . 1 1 16 16 A H5' H 1 4.147 0.009 . 2 . . . A 34 A H5' . 25826 1 215 . 1 1 16 16 A H5'' H 1 4.470 0.000 . 2 . . . A 34 A H5'' . 25826 1 216 . 1 1 16 16 A H8 H 1 7.819 0.003 . 1 . . . A 34 A H8 . 25826 1 217 . 1 1 16 16 A C1' C 13 92.797 0.028 . 1 . . . A 34 A C1' . 25826 1 218 . 1 1 16 16 A C2 C 13 154.188 0.030 . 1 . . . A 34 A C2 . 25826 1 219 . 1 1 16 16 A C2' C 13 75.508 0.035 . 1 . . . A 34 A C2' . 25826 1 220 . 1 1 16 16 A C3' C 13 72.707 0.014 . 1 . . . A 34 A C3' . 25826 1 221 . 1 1 16 16 A C4' C 13 82.313 0.010 . 1 . . . A 34 A C4' . 25826 1 222 . 1 1 16 16 A C5' C 13 65.263 0.003 . 1 . . . A 34 A C5' . 25826 1 223 . 1 1 16 16 A C8 C 13 138.938 0.088 . 1 . . . A 34 A C8 . 25826 1 224 . 1 1 17 17 C H1' H 1 5.283 0.006 . 1 . . . A 35 C H1' . 25826 1 225 . 1 1 17 17 C H2' H 1 4.039 0.004 . 2 . . . A 35 C H2' . 25826 1 226 . 1 1 17 17 C H3' H 1 4.290 0.011 . 1 . . . A 35 C H3' . 25826 1 227 . 1 1 17 17 C H4' H 1 4.321 0.010 . 1 . . . A 35 C H4' . 25826 1 228 . 1 1 17 17 C H5 H 1 5.152 0.004 . 1 . . . A 35 C H5 . 25826 1 229 . 1 1 17 17 C H5' H 1 4.012 0.007 . 2 . . . A 35 C H5' . 25826 1 230 . 1 1 17 17 C H5'' H 1 4.440 0.008 . 2 . . . A 35 C H5'' . 25826 1 231 . 1 1 17 17 C H6 H 1 7.155 0.004 . 1 . . . A 35 C H6 . 25826 1 232 . 1 1 17 17 C C1' C 13 93.586 0.011 . 1 . . . A 35 C C1' . 25826 1 233 . 1 1 17 17 C C2' C 13 75.724 0.026 . 1 . . . A 35 C C2' . 25826 1 234 . 1 1 17 17 C C3' C 13 72.274 0.024 . 1 . . . A 35 C C3' . 25826 1 235 . 1 1 17 17 C C4' C 13 81.914 0.000 . 1 . . . A 35 C C4' . 25826 1 236 . 1 1 17 17 C C5 C 13 96.481 0.035 . 1 . . . A 35 C C5 . 25826 1 237 . 1 1 17 17 C C5' C 13 64.366 0.008 . 1 . . . A 35 C C5' . 25826 1 238 . 1 1 17 17 C C6 C 13 140.268 0.023 . 1 . . . A 35 C C6 . 25826 1 239 . 1 1 18 18 U H1' H 1 5.523 0.004 . 1 . . . A 36 U H1' . 25826 1 240 . 1 1 18 18 U H2' H 1 4.313 0.004 . 1 . . . A 36 U H2' . 25826 1 241 . 1 1 18 18 U H3' H 1 4.481 0.007 . 1 . . . A 36 U H3' . 25826 1 242 . 1 1 18 18 U H4' H 1 4.338 0.000 . 1 . . . A 36 U H4' . 25826 1 243 . 1 1 18 18 U H5 H 1 5.354 0.003 . 1 . . . A 36 U H5 . 25826 1 244 . 1 1 18 18 U H5' H 1 4.448 0.005 . 2 . . . A 36 U H5' . 25826 1 245 . 1 1 18 18 U H5'' H 1 4.049 0.006 . 2 . . . A 36 U H5'' . 25826 1 246 . 1 1 18 18 U H6 H 1 7.783 0.004 . 1 . . . A 36 U H6 . 25826 1 247 . 1 1 18 18 U C1' C 13 93.766 0.026 . 1 . . . A 36 U C1' . 25826 1 248 . 1 1 18 18 U C2' C 13 75.435 0.024 . 1 . . . A 36 U C2' . 25826 1 249 . 1 1 18 18 U C3' C 13 72.384 0.064 . 1 . . . A 36 U C3' . 25826 1 250 . 1 1 18 18 U C4' C 13 82.267 0.000 . 1 . . . A 36 U C4' . 25826 1 251 . 1 1 18 18 U C5 C 13 103.362 0.017 . 1 . . . A 36 U C5 . 25826 1 252 . 1 1 18 18 U C5' C 13 64.320 0.011 . 1 . . . A 36 U C5' . 25826 1 253 . 1 1 18 18 U C6 C 13 142.407 0.023 . 1 . . . A 36 U C6 . 25826 1 254 . 1 1 19 19 C H1' H 1 5.652 0.003 . 1 . . . A 37 C H1' . 25826 1 255 . 1 1 19 19 C H2' H 1 4.391 0.004 . 2 . . . A 37 C H2' . 25826 1 256 . 1 1 19 19 C H3' H 1 4.510 0.008 . 1 . . . A 37 C H3' . 25826 1 257 . 1 1 19 19 C H4' H 1 4.402 0.007 . 1 . . . A 37 C H4' . 25826 1 258 . 1 1 19 19 C H5 H 1 5.871 0.004 . 1 . . . A 37 C H5 . 25826 1 259 . 1 1 19 19 C H5' H 1 4.103 0.008 . 2 . . . A 37 C H5' . 25826 1 260 . 1 1 19 19 C H5'' H 1 4.426 0.006 . 2 . . . A 37 C H5'' . 25826 1 261 . 1 1 19 19 C H6 H 1 7.932 0.002 . 1 . . . A 37 C H6 . 25826 1 262 . 1 1 19 19 C C1' C 13 92.895 0.012 . 1 . . . A 37 C C1' . 25826 1 263 . 1 1 19 19 C C2' C 13 75.633 0.013 . 1 . . . A 37 C C2' . 25826 1 264 . 1 1 19 19 C C3' C 13 73.638 0.057 . 1 . . . A 37 C C3' . 25826 1 265 . 1 1 19 19 C C4' C 13 82.320 0.016 . 1 . . . A 37 C C4' . 25826 1 266 . 1 1 19 19 C C5 C 13 98.290 0.033 . 1 . . . A 37 C C5 . 25826 1 267 . 1 1 19 19 C C5' C 13 65.457 0.008 . 1 . . . A 37 C C5' . 25826 1 268 . 1 1 19 19 C C6 C 13 142.241 0.050 . 1 . . . A 37 C C6 . 25826 1 269 . 1 1 20 20 U H1' H 1 5.514 0.004 . 1 . . . A 38 U H1' . 25826 1 270 . 1 1 20 20 U H2' H 1 4.611 0.008 . 1 . . . A 38 U H2' . 25826 1 271 . 1 1 20 20 U H3' H 1 4.529 0.006 . 1 . . . A 38 U H3' . 25826 1 272 . 1 1 20 20 U H4' H 1 4.505 0.003 . 1 . . . A 38 U H4' . 25826 1 273 . 1 1 20 20 U H5 H 1 5.525 0.002 . 1 . . . A 38 U H5 . 25826 1 274 . 1 1 20 20 U H5' H 1 4.190 0.013 . 2 . . . A 38 U H5' . 25826 1 275 . 1 1 20 20 U H5'' H 1 4.496 0.009 . 2 . . . A 38 U H5'' . 25826 1 276 . 1 1 20 20 U H6 H 1 7.814 0.004 . 1 . . . A 38 U H6 . 25826 1 277 . 1 1 20 20 U C1' C 13 94.119 0.058 . 1 . . . A 38 U C1' . 25826 1 278 . 1 1 20 20 U C2' C 13 75.075 0.049 . 1 . . . A 38 U C2' . 25826 1 279 . 1 1 20 20 U C3' C 13 73.238 0.029 . 1 . . . A 38 U C3' . 25826 1 280 . 1 1 20 20 U C4' C 13 82.479 0.000 . 1 . . . A 38 U C4' . 25826 1 281 . 1 1 20 20 U C5 C 13 103.929 0.016 . 1 . . . A 38 U C5 . 25826 1 282 . 1 1 20 20 U C5' C 13 66.077 0.000 . 1 . . . A 38 U C5' . 25826 1 283 . 1 1 20 20 U C6 C 13 142.456 0.033 . 1 . . . A 38 U C6 . 25826 1 284 . 1 1 21 21 A H1' H 1 6.025 0.002 . 1 . . . A 39 A H1' . 25826 1 285 . 1 1 21 21 A H2 H 1 7.093 0.002 . 1 . . . A 39 A H2 . 25826 1 286 . 1 1 21 21 A H2' H 1 4.509 0.002 . 2 . . . A 39 A H2' . 25826 1 287 . 1 1 21 21 A H3' H 1 4.725 0.003 . 1 . . . A 39 A H3' . 25826 1 288 . 1 1 21 21 A H4' H 1 4.508 0.003 . 1 . . . A 39 A H4' . 25826 1 289 . 1 1 21 21 A H5' H 1 4.610 0.003 . 2 . . . A 39 A H5' . 25826 1 290 . 1 1 21 21 A H5'' H 1 4.180 0.004 . 2 . . . A 39 A H5'' . 25826 1 291 . 1 1 21 21 A H8 H 1 8.277 0.002 . 1 . . . A 39 A H8 . 25826 1 292 . 1 1 21 21 A C1' C 13 92.869 0.028 . 1 . . . A 39 A C1' . 25826 1 293 . 1 1 21 21 A C2 C 13 153.363 0.000 . 1 . . . A 39 A C2 . 25826 1 294 . 1 1 21 21 A C2' C 13 75.517 0.029 . 1 . . . A 39 A C2' . 25826 1 295 . 1 1 21 21 A C3' C 13 72.670 0.079 . 1 . . . A 39 A C3' . 25826 1 296 . 1 1 21 21 A C4' C 13 82.058 0.057 . 1 . . . A 39 A C4' . 25826 1 297 . 1 1 21 21 A C5' C 13 64.927 0.008 . 1 . . . A 39 A C5' . 25826 1 298 . 1 1 21 21 A C8 C 13 139.956 0.030 . 1 . . . A 39 A C8 . 25826 1 299 . 1 1 22 22 C H1' H 1 5.376 0.003 . 1 . . . A 40 C H1' . 25826 1 300 . 1 1 22 22 C H2' H 1 4.057 0.005 . 2 . . . A 40 C H2' . 25826 1 301 . 1 1 22 22 C H3' H 1 4.357 0.004 . 1 . . . A 40 C H3' . 25826 1 302 . 1 1 22 22 C H4' H 1 4.355 0.005 . 1 . . . A 40 C H4' . 25826 1 303 . 1 1 22 22 C H5 H 1 5.203 0.003 . 1 . . . A 40 C H5 . 25826 1 304 . 1 1 22 22 C H5' H 1 4.036 0.004 . 2 . . . A 40 C H5' . 25826 1 305 . 1 1 22 22 C H5'' H 1 4.512 0.004 . 2 . . . A 40 C H5'' . 25826 1 306 . 1 1 22 22 C H6 H 1 7.544 0.004 . 1 . . . A 40 C H6 . 25826 1 307 . 1 1 22 22 C C1' C 13 93.856 0.030 . 1 . . . A 40 C C1' . 25826 1 308 . 1 1 22 22 C C2' C 13 75.762 0.011 . 1 . . . A 40 C C2' . 25826 1 309 . 1 1 22 22 C C3' C 13 72.112 0.008 . 1 . . . A 40 C C3' . 25826 1 310 . 1 1 22 22 C C4' C 13 81.950 0.000 . 1 . . . A 40 C C4' . 25826 1 311 . 1 1 22 22 C C5 C 13 96.940 0.027 . 1 . . . A 40 C C5 . 25826 1 312 . 1 1 22 22 C C5' C 13 64.361 0.002 . 1 . . . A 40 C C5' . 25826 1 313 . 1 1 22 22 C C6 C 13 140.884 0.021 . 1 . . . A 40 C C6 . 25826 1 314 . 1 1 23 23 C H1' H 1 5.733 0.001 . 1 . . . A 41 C H1' . 25826 1 315 . 1 1 23 23 C H2' H 1 3.976 0.003 . 2 . . . A 41 C H2' . 25826 1 316 . 1 1 23 23 C H3' H 1 4.140 0.002 . 1 . . . A 41 C H3' . 25826 1 317 . 1 1 23 23 C H4' H 1 4.132 0.005 . 1 . . . A 41 C H4' . 25826 1 318 . 1 1 23 23 C H5 H 1 5.423 0.003 . 1 . . . A 41 C H5 . 25826 1 319 . 1 1 23 23 C H5' H 1 3.982 0.008 . 2 . . . A 41 C H5' . 25826 1 320 . 1 1 23 23 C H5'' H 1 4.431 0.006 . 2 . . . A 41 C H5'' . 25826 1 321 . 1 1 23 23 C H6 H 1 7.611 0.006 . 1 . . . A 41 C H6 . 25826 1 322 . 1 1 23 23 C C1' C 13 92.777 0.006 . 1 . . . A 41 C C1' . 25826 1 323 . 1 1 23 23 C C2' C 13 77.548 0.010 . 1 . . . A 41 C C2' . 25826 1 324 . 1 1 23 23 C C3' C 13 69.835 0.014 . 1 . . . A 41 C C3' . 25826 1 325 . 1 1 23 23 C C4' C 13 83.539 0.012 . 1 . . . A 41 C C4' . 25826 1 326 . 1 1 23 23 C C5 C 13 98.106 0.017 . 1 . . . A 41 C C5 . 25826 1 327 . 1 1 23 23 C C5' C 13 65.232 0.002 . 1 . . . A 41 C C5' . 25826 1 328 . 1 1 23 23 C C6 C 13 141.890 0.013 . 1 . . . A 41 C C6 . 25826 1 stop_ save_