################################### # 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 25427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _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' . . . 25427 1 2 '2D 1H-15N HSQC' . . . 25427 1 3 '2D 1H-13C HNCO' . . . 25427 1 4 '2D 1H-15N H56C56C4N3H' . . . 25427 1 5 '2D 1H-15N HSQC NH2 only' . . . 25427 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 12.733 0.014 . . . . . . A 1 G H1 . 25427 1 2 . 1 . 1 1 1 G H1' H 1 5.582 0.007 . . . . . . A 1 G H1' . 25427 1 3 . 1 . 1 1 1 G H8 H 1 7.947 0.003 . . . . . . A 1 G H8 . 25427 1 4 . 1 . 1 1 1 G C1' C 13 89.314 0.005 . . . . . . A 1 G C1' . 25427 1 5 . 1 . 1 1 1 G C2 C 13 153.373 0.000 . . . . . . A 1 G C2 . 25427 1 6 . 1 . 1 1 1 G C6 C 13 159.926 0.000 . . . . . . A 1 G C6 . 25427 1 7 . 1 . 1 1 1 G C8 C 13 136.261 0.000 . . . . . . A 1 G C8 . 25427 1 8 . 1 . 1 1 1 G N1 N 15 154.189 0.000 . . . . . . A 1 G N1 . 25427 1 9 . 1 . 1 2 2 G H1 H 1 11.482 0.013 . . . . . . A 2 G H1 . 25427 1 10 . 1 . 1 2 2 G H1' H 1 5.680 0.008 . . . . . . A 2 G H1' . 25427 1 11 . 1 . 1 2 2 G H3' H 1 4.193 0.000 . . . . . . A 2 G H3' . 25427 1 12 . 1 . 1 2 2 G H8 H 1 7.324 0.009 . . . . . . A 2 G H8 . 25427 1 13 . 1 . 1 2 2 G H22 H 1 6.086 0.019 . . . . . . A 2 G H22 . 25427 1 14 . 1 . 1 2 2 G C1' C 13 90.536 0.061 . . . . . . A 2 G C1' . 25427 1 15 . 1 . 1 2 2 G C2 C 13 152.879 0.000 . . . . . . A 2 G C2 . 25427 1 16 . 1 . 1 2 2 G C6 C 13 158.551 0.000 . . . . . . A 2 G C6 . 25427 1 17 . 1 . 1 2 2 G C8 C 13 134.320 0.000 . . . . . . A 2 G C8 . 25427 1 18 . 1 . 1 2 2 G N1 N 15 153.149 0.000 . . . . . . A 2 G N1 . 25427 1 19 . 1 . 1 3 3 C H1' H 1 5.323 0.031 . . . . . . A 3 C H1' . 25427 1 20 . 1 . 1 3 3 C H5 H 1 5.227 0.024 . . . . . . A 3 C H5 . 25427 1 21 . 1 . 1 3 3 C H6 H 1 7.500 0.007 . . . . . . A 3 C H6 . 25427 1 22 . 1 . 1 3 3 C H41 H 1 8.010 0.017 . . . . . . A 3 C H41 . 25427 1 23 . 1 . 1 3 3 C H42 H 1 6.823 0.018 . . . . . . A 3 C H42 . 25427 1 24 . 1 . 1 3 3 C C1' C 13 91.650 0.010 . . . . . . A 3 C C1' . 25427 1 25 . 1 . 1 3 3 C C5 C 13 94.480 0.013 . . . . . . A 3 C C5 . 25427 1 26 . 1 . 1 3 3 C C6 C 13 137.776 0.000 . . . . . . A 3 C C6 . 25427 1 27 . 1 . 1 3 3 C N4 N 15 98.613 0.000 . . . . . . A 3 C N4 . 25427 1 28 . 1 . 1 4 4 U H1' H 1 5.282 0.013 . . . . . . A 4 U H1' . 25427 1 29 . 1 . 1 4 4 U H3 H 1 13.657 0.014 . . . . . . A 4 U H3 . 25427 1 30 . 1 . 1 4 4 U H3' H 1 4.362 0.000 . . . . . . A 4 U H3' . 25427 1 31 . 1 . 1 4 4 U H5 H 1 5.189 0.011 . . . . . . A 4 U H5 . 25427 1 32 . 1 . 1 4 4 U H6 H 1 7.666 0.017 . . . . . . A 4 U H6 . 25427 1 33 . 1 . 1 4 4 U C1' C 13 91.423 0.219 . . . . . . A 4 U C1' . 25427 1 34 . 1 . 1 4 4 U C2 C 13 149.914 0.000 . . . . . . A 4 U C2 . 25427 1 35 . 1 . 1 4 4 U C4 C 13 166.564 0.000 . . . . . . A 4 U C4 . 25427 1 36 . 1 . 1 4 4 U C5 C 13 100.003 0.051 . . . . . . A 4 U C5 . 25427 1 37 . 1 . 1 4 4 U C6 C 13 139.338 0.000 . . . . . . A 4 U C6 . 25427 1 38 . 1 . 1 4 4 U N3 N 15 159.624 0.000 . . . . . . A 4 U N3 . 25427 1 39 . 1 . 1 5 5 G H1 H 1 12.171 0.013 . . . . . . A 5 G H1 . 25427 1 40 . 1 . 1 5 5 G H1' H 1 5.597 0.008 . . . . . . A 5 G H1' . 25427 1 41 . 1 . 1 5 5 G H4' H 1 4.359 0.000 . . . . . . A 5 G H4' . 25427 1 42 . 1 . 1 5 5 G H8 H 1 7.762 0.011 . . . . . . A 5 G H8 . 25427 1 43 . 1 . 1 5 5 G H21 H 1 6.866 0.542 . . . . . . A 5 G H21 . 25427 1 44 . 1 . 1 5 5 G H22 H 1 5.104 0.037 . . . . . . A 5 G H22 . 25427 1 45 . 1 . 1 5 5 G C1' C 13 86.261 0.019 . . . . . . A 5 G C1' . 25427 1 46 . 1 . 1 5 5 G C2 C 13 153.223 0.000 . . . . . . A 5 G C2 . 25427 1 47 . 1 . 1 5 5 G C6 C 13 159.023 0.000 . . . . . . A 5 G C6 . 25427 1 48 . 1 . 1 5 5 G C8 C 13 135.725 0.000 . . . . . . A 5 G C8 . 25427 1 49 . 1 . 1 5 5 G N1 N 15 153.787 0.000 . . . . . . A 5 G N1 . 25427 1 50 . 1 . 1 6 6 C H1' H 1 5.375 0.014 . . . . . . A 6 C H1' . 25427 1 51 . 1 . 1 6 6 C H2' H 1 3.952 0.000 . . . . . . A 6 C H2' . 25427 1 52 . 1 . 1 6 6 C H4' H 1 4.108 0.000 . . . . . . A 6 C H4' . 25427 1 53 . 1 . 1 6 6 C H5 H 1 5.664 0.009 . . . . . . A 6 C H5 . 25427 1 54 . 1 . 1 6 6 C H6 H 1 7.649 0.026 . . . . . . A 6 C H6 . 25427 1 55 . 1 . 1 6 6 C C1' C 13 88.699 0.001 . . . . . . A 6 C C1' . 25427 1 56 . 1 . 1 6 6 C C5 C 13 95.862 0.023 . . . . . . A 6 C C5 . 25427 1 57 . 1 . 1 6 6 C C6 C 13 139.610 0.000 . . . . . . A 6 C C6 . 25427 1 58 . 1 . 1 6 6 C N4 N 15 92.935 0.000 . . . . . . A 6 C N4 . 25427 1 59 . 1 . 1 7 7 U H1' H 1 5.787 0.013 . . . . . . A 7 U H1' . 25427 1 60 . 1 . 1 7 7 U H3' H 1 4.389 0.007 . . . . . . A 7 U H3' . 25427 1 61 . 1 . 1 7 7 U H5 H 1 5.634 0.007 . . . . . . A 7 U H5 . 25427 1 62 . 1 . 1 7 7 U H6 H 1 7.670 0.040 . . . . . . A 7 U H6 . 25427 1 63 . 1 . 1 7 7 U C1' C 13 87.340 0.079 . . . . . . A 7 U C1' . 25427 1 64 . 1 . 1 7 7 U C5 C 13 102.513 0.000 . . . . . . A 7 U C5 . 25427 1 65 . 1 . 1 7 7 U C6 C 13 141.122 0.000 . . . . . . A 7 U C6 . 25427 1 66 . 1 . 1 8 8 U H1' H 1 5.851 0.013 . . . . . . A 8 U H1' . 25427 1 67 . 1 . 1 8 8 U H3' H 1 4.493 0.006 . . . . . . A 8 U H3' . 25427 1 68 . 1 . 1 8 8 U H5 H 1 5.738 0.014 . . . . . . A 8 U H5 . 25427 1 69 . 1 . 1 8 8 U H6 H 1 7.677 0.034 . . . . . . A 8 U H6 . 25427 1 70 . 1 . 1 8 8 U C1' C 13 87.360 0.044 . . . . . . A 8 U C1' . 25427 1 71 . 1 . 1 8 8 U C5 C 13 102.916 0.126 . . . . . . A 8 U C5 . 25427 1 72 . 1 . 1 8 8 U C6 C 13 141.074 0.000 . . . . . . A 8 U C6 . 25427 1 73 . 1 . 1 9 9 G H1 H 1 13.643 0.012 . . . . . . A 9 G H1 . 25427 1 74 . 1 . 1 9 9 G H1' H 1 5.507 0.004 . . . . . . A 9 G H1' . 25427 1 75 . 1 . 1 9 9 G H8 H 1 7.606 0.006 . . . . . . A 9 G H8 . 25427 1 76 . 1 . 1 9 9 G H21 H 1 7.034 1.090 . . . . . . A 9 G H21 . 25427 1 77 . 1 . 1 9 9 G H22 H 1 5.938 0.014 . . . . . . A 9 G H22 . 25427 1 78 . 1 . 1 9 9 G C1' C 13 91.648 0.046 . . . . . . A 9 G C1' . 25427 1 79 . 1 . 1 9 9 G C2 C 13 153.760 0.000 . . . . . . A 9 G C2 . 25427 1 80 . 1 . 1 9 9 G C6 C 13 158.572 0.000 . . . . . . A 9 G C6 . 25427 1 81 . 1 . 1 9 9 G C8 C 13 134.257 0.000 . . . . . . A 9 G C8 . 25427 1 82 . 1 . 1 9 9 G N1 N 15 154.473 0.000 . . . . . . A 9 G N1 . 25427 1 83 . 1 . 1 10 10 U H1' H 1 5.324 0.009 . . . . . . A 10 U H1' . 25427 1 84 . 1 . 1 10 10 U H2' H 1 3.458 0.006 . . . . . . A 10 U H2' . 25427 1 85 . 1 . 1 10 10 U H3 H 1 10.986 0.013 . . . . . . A 10 U H3 . 25427 1 86 . 1 . 1 10 10 U H5 H 1 4.896 0.007 . . . . . . A 10 U H5 . 25427 1 87 . 1 . 1 10 10 U H6 H 1 7.523 0.007 . . . . . . A 10 U H6 . 25427 1 88 . 1 . 1 10 10 U C1' C 13 91.337 0.065 . . . . . . A 10 U C1' . 25427 1 89 . 1 . 1 10 10 U C2 C 13 151.031 0.000 . . . . . . A 10 U C2 . 25427 1 90 . 1 . 1 10 10 U C4 C 13 163.621 0.000 . . . . . . A 10 U C4 . 25427 1 91 . 1 . 1 10 10 U C5 C 13 99.624 0.000 . . . . . . A 10 U C5 . 25427 1 92 . 1 . 1 10 10 U C6 C 13 138.960 0.000 . . . . . . A 10 U C6 . 25427 1 93 . 1 . 1 10 10 U N3 N 15 158.442 0.000 . . . . . . A 10 U N3 . 25427 1 94 . 1 . 1 11 11 C H5 H 1 5.537 0.010 . . . . . . A 11 C H5 . 25427 1 95 . 1 . 1 11 11 C H6 H 1 7.471 0.002 . . . . . . A 11 C H6 . 25427 1 96 . 1 . 1 11 11 C H41 H 1 7.779 0.016 . . . . . . A 11 C H41 . 25427 1 97 . 1 . 1 11 11 C H42 H 1 6.774 0.018 . . . . . . A 11 C H42 . 25427 1 98 . 1 . 1 11 11 C C5 C 13 96.043 0.065 . . . . . . A 11 C C5 . 25427 1 99 . 1 . 1 11 11 C C6 C 13 139.986 0.000 . . . . . . A 11 C C6 . 25427 1 100 . 1 . 1 11 11 C N4 N 15 104.328 0.000 . . . . . . A 11 C N4 . 25427 1 101 . 1 . 1 12 12 C H1' H 1 5.340 0.009 . . . . . . A 12 C H1' . 25427 1 102 . 1 . 1 12 12 C H3' H 1 3.809 0.000 . . . . . . A 12 C H3' . 25427 1 103 . 1 . 1 12 12 C H5 H 1 4.860 0.038 . . . . . . A 12 C H5 . 25427 1 104 . 1 . 1 12 12 C H41 H 1 7.872 0.019 . . . . . . A 12 C H41 . 25427 1 105 . 1 . 1 12 12 C H42 H 1 6.375 0.022 . . . . . . A 12 C H42 . 25427 1 106 . 1 . 1 12 12 C C1' C 13 91.412 0.023 . . . . . . A 12 C C1' . 25427 1 107 . 1 . 1 12 12 C C5 C 13 94.409 0.551 . . . . . . A 12 C C5 . 25427 1 108 . 1 . 1 12 12 C N4 N 15 97.166 0.000 . . . . . . A 12 C N4 . 25427 1 109 . 1 . 1 13 13 U H1' H 1 5.465 0.008 . . . . . . A 13 U H1' . 25427 1 110 . 1 . 1 13 13 U H2' H 1 3.918 0.014 . . . . . . A 13 U H2' . 25427 1 111 . 1 . 1 13 13 U H3 H 1 11.660 0.013 . . . . . . A 13 U H3 . 25427 1 112 . 1 . 1 13 13 U H3' H 1 4.184 0.000 . . . . . . A 13 U H3' . 25427 1 113 . 1 . 1 13 13 U H5 H 1 5.166 0.150 . . . . . . A 13 U H5 . 25427 1 114 . 1 . 1 13 13 U H6 H 1 7.649 0.011 . . . . . . A 13 U H6 . 25427 1 115 . 1 . 1 13 13 U C1' C 13 90.596 0.006 . . . . . . A 13 U C1' . 25427 1 116 . 1 . 1 13 13 U C2 C 13 151.719 0.000 . . . . . . A 13 U C2 . 25427 1 117 . 1 . 1 13 13 U C4 C 13 163.385 0.000 . . . . . . A 13 U C4 . 25427 1 118 . 1 . 1 13 13 U C5 C 13 101.396 0.962 . . . . . . A 13 U C5 . 25427 1 119 . 1 . 1 13 13 U C6 C 13 137.476 0.000 . . . . . . A 13 U C6 . 25427 1 120 . 1 . 1 13 13 U N3 N 15 157.993 0.000 . . . . . . A 13 U N3 . 25427 1 121 . 1 . 1 14 14 U H1' H 1 5.168 0.010 . . . . . . A 14 U H1' . 25427 1 122 . 1 . 1 14 14 U H2' H 1 4.588 0.007 . . . . . . A 14 U H2' . 25427 1 123 . 1 . 1 14 14 U H3 H 1 10.784 0.012 . . . . . . A 14 U H3 . 25427 1 124 . 1 . 1 14 14 U H3' H 1 4.156 0.009 . . . . . . A 14 U H3' . 25427 1 125 . 1 . 1 14 14 U H4' H 1 3.994 0.003 . . . . . . A 14 U H4' . 25427 1 126 . 1 . 1 14 14 U H5 H 1 5.016 0.014 . . . . . . A 14 U H5 . 25427 1 127 . 1 . 1 14 14 U H6 H 1 7.229 0.009 . . . . . . A 14 U H6 . 25427 1 128 . 1 . 1 14 14 U HO2' H 1 8.803 0.000 . . . . . . A 14 U HO2' . 25427 1 129 . 1 . 1 14 14 U C1' C 13 91.587 0.107 . . . . . . A 14 U C1' . 25427 1 130 . 1 . 1 14 14 U C2 C 13 150.021 0.000 . . . . . . A 14 U C2 . 25427 1 131 . 1 . 1 14 14 U C4 C 13 166.092 0.000 . . . . . . A 14 U C4 . 25427 1 132 . 1 . 1 14 14 U C5 C 13 99.905 0.149 . . . . . . A 14 U C5 . 25427 1 133 . 1 . 1 14 14 U C6 C 13 139.070 0.000 . . . . . . A 14 U C6 . 25427 1 134 . 1 . 1 14 14 U N3 N 15 158.395 0.000 . . . . . . A 14 U N3 . 25427 1 135 . 1 . 1 15 15 U H1' H 1 5.056 0.016 . . . . . . A 15 U H1' . 25427 1 136 . 1 . 1 15 15 U H3' H 1 4.008 0.000 . . . . . . A 15 U H3' . 25427 1 137 . 1 . 1 15 15 U H4' H 1 3.902 0.001 . . . . . . A 15 U H4' . 25427 1 138 . 1 . 1 15 15 U H5 H 1 5.434 0.010 . . . . . . A 15 U H5 . 25427 1 139 . 1 . 1 15 15 U H6 H 1 7.401 0.009 . . . . . . A 15 U H6 . 25427 1 140 . 1 . 1 15 15 U C1' C 13 91.780 0.016 . . . . . . A 15 U C1' . 25427 1 141 . 1 . 1 15 15 U C5 C 13 101.113 0.115 . . . . . . A 15 U C5 . 25427 1 142 . 1 . 1 15 15 U C6 C 13 139.977 0.000 . . . . . . A 15 U C6 . 25427 1 143 . 1 . 1 16 16 A H1' H 1 6.025 0.010 . . . . . . A 16 A H1' . 25427 1 144 . 1 . 1 16 16 A H2 H 1 8.077 0.011 . . . . . . A 16 A H2 . 25427 1 145 . 1 . 1 16 16 A H2' H 1 3.788 0.013 . . . . . . A 16 A H2' . 25427 1 146 . 1 . 1 16 16 A H4' H 1 3.975 0.009 . . . . . . A 16 A H4' . 25427 1 147 . 1 . 1 16 16 A H8 H 1 7.941 0.010 . . . . . . A 16 A H8 . 25427 1 148 . 1 . 1 16 16 A H62 H 1 6.487 0.000 . . . . . . A 16 A H62 . 25427 1 149 . 1 . 1 16 16 A C1' C 13 90.114 0.017 . . . . . . A 16 A C1' . 25427 1 150 . 1 . 1 16 16 A C2 C 13 152.768 0.000 . . . . . . A 16 A C2 . 25427 1 151 . 1 . 1 16 16 A C8 C 13 139.749 0.000 . . . . . . A 16 A C8 . 25427 1 152 . 1 . 1 17 17 A H1' H 1 5.982 0.011 . . . . . . A 17 A H1' . 25427 1 153 . 1 . 1 17 17 A H2 H 1 7.869 0.004 . . . . . . A 17 A H2 . 25427 1 154 . 1 . 1 17 17 A H2' H 1 4.901 0.000 . . . . . . A 17 A H2' . 25427 1 155 . 1 . 1 17 17 A H3' H 1 4.861 0.006 . . . . . . A 17 A H3' . 25427 1 156 . 1 . 1 17 17 A H4' H 1 4.120 0.000 . . . . . . A 17 A H4' . 25427 1 157 . 1 . 1 17 17 A H8 H 1 8.228 0.007 . . . . . . A 17 A H8 . 25427 1 158 . 1 . 1 17 17 A C1' C 13 85.204 0.005 . . . . . . A 17 A C1' . 25427 1 159 . 1 . 1 17 17 A C2 C 13 152.958 0.000 . . . . . . A 17 A C2 . 25427 1 160 . 1 . 1 17 17 A C8 C 13 138.613 0.000 . . . . . . A 17 A C8 . 25427 1 161 . 1 . 1 18 18 U H1' H 1 4.278 0.049 . . . . . . A 18 U H1' . 25427 1 162 . 1 . 1 18 18 U H2' H 1 4.049 0.000 . . . . . . A 18 U H2' . 25427 1 163 . 1 . 1 18 18 U H3 H 1 9.949 0.012 . . . . . . A 18 U H3 . 25427 1 164 . 1 . 1 18 18 U H3' H 1 3.836 0.003 . . . . . . A 18 U H3' . 25427 1 165 . 1 . 1 18 18 U H4' H 1 2.969 0.016 . . . . . . A 18 U H4' . 25427 1 166 . 1 . 1 18 18 U H5 H 1 5.629 0.013 . . . . . . A 18 U H5 . 25427 1 167 . 1 . 1 18 18 U H6 H 1 6.816 0.304 . . . . . . A 18 U H6 . 25427 1 168 . 1 . 1 18 18 U C1' C 13 90.436 0.024 . . . . . . A 18 U C1' . 25427 1 169 . 1 . 1 18 18 U C2 C 13 149.613 0.000 . . . . . . A 18 U C2 . 25427 1 170 . 1 . 1 18 18 U C4 C 13 166.521 0.000 . . . . . . A 18 U C4 . 25427 1 171 . 1 . 1 18 18 U C5 C 13 103.415 0.282 . . . . . . A 18 U C5 . 25427 1 172 . 1 . 1 18 18 U C6 C 13 137.192 0.000 . . . . . . A 18 U C6 . 25427 1 173 . 1 . 1 18 18 U N3 N 15 156.836 0.000 . . . . . . A 18 U N3 . 25427 1 174 . 1 . 1 19 19 G H1 H 1 12.830 0.011 . . . . . . A 19 G H1 . 25427 1 175 . 1 . 1 19 19 G H1' H 1 5.597 0.006 . . . . . . A 19 G H1' . 25427 1 176 . 1 . 1 19 19 G H2' H 1 4.634 0.000 . . . . . . A 19 G H2' . 25427 1 177 . 1 . 1 19 19 G H3' H 1 4.483 0.000 . . . . . . A 19 G H3' . 25427 1 178 . 1 . 1 19 19 G H4' H 1 4.115 0.004 . . . . . . A 19 G H4' . 25427 1 179 . 1 . 1 19 19 G H8 H 1 7.239 0.009 . . . . . . A 19 G H8 . 25427 1 180 . 1 . 1 19 19 G H21 H 1 8.834 0.015 . . . . . . A 19 G H21 . 25427 1 181 . 1 . 1 19 19 G H22 H 1 6.430 0.017 . . . . . . A 19 G H22 . 25427 1 182 . 1 . 1 19 19 G C1' C 13 88.877 0.076 . . . . . . A 19 G C1' . 25427 1 183 . 1 . 1 19 19 G C2 C 13 153.889 0.000 . . . . . . A 19 G C2 . 25427 1 184 . 1 . 1 19 19 G C6 C 13 158.486 0.000 . . . . . . A 19 G C6 . 25427 1 185 . 1 . 1 19 19 G C8 C 13 133.673 0.000 . . . . . . A 19 G C8 . 25427 1 186 . 1 . 1 19 19 G N1 N 15 154.189 0.000 . . . . . . A 19 G N1 . 25427 1 187 . 1 . 1 20 20 G H1 H 1 12.847 0.013 . . . . . . A 20 G H1 . 25427 1 188 . 1 . 1 20 20 G H1' H 1 5.133 0.008 . . . . . . A 20 G H1' . 25427 1 189 . 1 . 1 20 20 G H3' H 1 3.797 0.016 . . . . . . A 20 G H3' . 25427 1 190 . 1 . 1 20 20 G H8 H 1 6.961 0.031 . . . . . . A 20 G H8 . 25427 1 191 . 1 . 1 20 20 G H21 H 1 8.002 0.015 . . . . . . A 20 G H21 . 25427 1 192 . 1 . 1 20 20 G H22 H 1 5.612 0.018 . . . . . . A 20 G H22 . 25427 1 193 . 1 . 1 20 20 G C1' C 13 90.469 0.068 . . . . . . A 20 G C1' . 25427 1 194 . 1 . 1 20 20 G C2 C 13 153.588 0.000 . . . . . . A 20 G C2 . 25427 1 195 . 1 . 1 20 20 G C6 C 13 159.066 0.000 . . . . . . A 20 G C6 . 25427 1 196 . 1 . 1 20 20 G C8 C 13 134.352 0.000 . . . . . . A 20 G C8 . 25427 1 197 . 1 . 1 20 20 G N1 N 15 154.922 0.000 . . . . . . A 20 G N1 . 25427 1 198 . 1 . 1 21 21 U H1' H 1 5.322 0.005 . . . . . . A 21 U H1' . 25427 1 199 . 1 . 1 21 21 U H3 H 1 9.441 0.015 . . . . . . A 21 U H3 . 25427 1 200 . 1 . 1 21 21 U H3' H 1 4.103 0.000 . . . . . . A 21 U H3' . 25427 1 201 . 1 . 1 21 21 U H5 H 1 4.971 0.012 . . . . . . A 21 U H5 . 25427 1 202 . 1 . 1 21 21 U H6 H 1 7.220 0.008 . . . . . . A 21 U H6 . 25427 1 203 . 1 . 1 21 21 U C1' C 13 90.952 0.069 . . . . . . A 21 U C1' . 25427 1 204 . 1 . 1 21 21 U C5 C 13 99.457 0.061 . . . . . . A 21 U C5 . 25427 1 205 . 1 . 1 21 21 U C6 C 13 139.600 0.000 . . . . . . A 21 U C6 . 25427 1 206 . 1 . 1 22 22 C H1' H 1 5.299 0.006 . . . . . . A 22 C H1' . 25427 1 207 . 1 . 1 22 22 C H2' H 1 4.176 0.000 . . . . . . A 22 C H2' . 25427 1 208 . 1 . 1 22 22 C H5 H 1 5.663 0.009 . . . . . . A 22 C H5 . 25427 1 209 . 1 . 1 22 22 C H6 H 1 7.831 0.012 . . . . . . A 22 C H6 . 25427 1 210 . 1 . 1 22 22 C H41 H 1 8.333 0.012 . . . . . . A 22 C H41 . 25427 1 211 . 1 . 1 22 22 C H42 H 1 7.905 0.031 . . . . . . A 22 C H42 . 25427 1 212 . 1 . 1 22 22 C C1' C 13 90.464 0.108 . . . . . . A 22 C C1' . 25427 1 213 . 1 . 1 22 22 C C5 C 13 95.840 0.086 . . . . . . A 22 C C5 . 25427 1 214 . 1 . 1 22 22 C C6 C 13 138.186 0.000 . . . . . . A 22 C C6 . 25427 1 215 . 1 . 1 22 22 C N4 N 15 104.607 0.018 . . . . . . A 22 C N4 . 25427 1 216 . 1 . 1 23 23 C H1' H 1 5.259 0.008 . . . . . . A 23 C H1' . 25427 1 217 . 1 . 1 23 23 C H2' H 1 3.987 0.000 . . . . . . A 23 C H2' . 25427 1 218 . 1 . 1 23 23 C H3' H 1 4.376 0.007 . . . . . . A 23 C H3' . 25427 1 219 . 1 . 1 23 23 C H5 H 1 5.453 0.012 . . . . . . A 23 C H5 . 25427 1 220 . 1 . 1 23 23 C H6 H 1 7.758 0.008 . . . . . . A 23 C H6 . 25427 1 221 . 1 . 1 23 23 C H41 H 1 8.222 0.016 . . . . . . A 23 C H41 . 25427 1 222 . 1 . 1 23 23 C H42 H 1 7.212 0.018 . . . . . . A 23 C H42 . 25427 1 223 . 1 . 1 23 23 C C1' C 13 90.676 0.000 . . . . . . A 23 C C1' . 25427 1 224 . 1 . 1 23 23 C C5 C 13 96.225 0.022 . . . . . . A 23 C C5 . 25427 1 225 . 1 . 1 23 23 C C6 C 13 137.318 0.000 . . . . . . A 23 C C6 . 25427 1 226 . 1 . 1 23 23 C N4 N 15 102.009 0.018 . . . . . . A 23 C N4 . 25427 1 227 . 1 . 1 24 24 A H1' H 1 5.598 0.026 . . . . . . A 24 A H1' . 25427 1 228 . 1 . 1 24 24 A H2 H 1 6.992 0.008 . . . . . . A 24 A H2 . 25427 1 229 . 1 . 1 24 24 A H2' H 1 4.434 0.004 . . . . . . A 24 A H2' . 25427 1 230 . 1 . 1 24 24 A H3' H 1 4.527 0.006 . . . . . . A 24 A H3' . 25427 1 231 . 1 . 1 24 24 A H8 H 1 7.923 0.019 . . . . . . A 24 A H8 . 25427 1 232 . 1 . 1 24 24 A H61 H 1 7.636 0.011 . . . . . . A 24 A H61 . 25427 1 233 . 1 . 1 24 24 A C1' C 13 89.108 0.064 . . . . . . A 24 A C1' . 25427 1 234 . 1 . 1 24 24 A C2 C 13 149.691 0.000 . . . . . . A 24 A C2 . 25427 1 235 . 1 . 1 24 24 A C8 C 13 136.671 0.000 . . . . . . A 24 A C8 . 25427 1 236 . 1 . 1 25 25 G H1 H 1 13.546 0.011 . . . . . . A 25 G H1 . 25427 1 237 . 1 . 1 25 25 G H1' H 1 5.163 0.010 . . . . . . A 25 G H1' . 25427 1 238 . 1 . 1 25 25 G H3' H 1 3.957 0.012 . . . . . . A 25 G H3' . 25427 1 239 . 1 . 1 25 25 G H4' H 1 4.151 0.028 . . . . . . A 25 G H4' . 25427 1 240 . 1 . 1 25 25 G H8 H 1 6.811 0.007 . . . . . . A 25 G H8 . 25427 1 241 . 1 . 1 25 25 G H22 H 1 6.030 0.018 . . . . . . A 25 G H22 . 25427 1 242 . 1 . 1 25 25 G C1' C 13 89.810 0.036 . . . . . . A 25 G C1' . 25427 1 243 . 1 . 1 25 25 G C2 C 13 153.996 0.000 . . . . . . A 25 G C2 . 25427 1 244 . 1 . 1 25 25 G C6 C 13 158.744 0.000 . . . . . . A 25 G C6 . 25427 1 245 . 1 . 1 25 25 G C8 C 13 132.268 0.000 . . . . . . A 25 G C8 . 25427 1 246 . 1 . 1 25 25 G N1 N 15 154.402 0.000 . . . . . . A 25 G N1 . 25427 1 247 . 1 . 1 26 26 U H1' H 1 5.229 0.026 . . . . . . A 26 U H1' . 25427 1 248 . 1 . 1 26 26 U H2' H 1 3.776 0.004 . . . . . . A 26 U H2' . 25427 1 249 . 1 . 1 26 26 U H3 H 1 11.992 0.121 . . . . . . A 26 U H3 . 25427 1 250 . 1 . 1 26 26 U H3' H 1 4.200 0.002 . . . . . . A 26 U H3' . 25427 1 251 . 1 . 1 26 26 U H5 H 1 5.075 0.009 . . . . . . A 26 U H5 . 25427 1 252 . 1 . 1 26 26 U H6 H 1 7.406 0.010 . . . . . . A 26 U H6 . 25427 1 253 . 1 . 1 26 26 U C1' C 13 91.578 0.109 . . . . . . A 26 U C1' . 25427 1 254 . 1 . 1 26 26 U C2 C 13 151.890 0.000 . . . . . . A 26 U C2 . 25427 1 255 . 1 . 1 26 26 U C4 C 13 163.642 0.000 . . . . . . A 26 U C4 . 25427 1 256 . 1 . 1 26 26 U C5 C 13 101.115 0.061 . . . . . . A 26 U C5 . 25427 1 257 . 1 . 1 26 26 U C6 C 13 137.508 0.000 . . . . . . A 26 U C6 . 25427 1 258 . 1 . 1 26 26 U N3 N 15 158.561 0.000 . . . . . . A 26 U N3 . 25427 1 259 . 1 . 1 27 27 C H1' H 1 5.929 0.013 . . . . . . A 27 C H1' . 25427 1 260 . 1 . 1 27 27 C H3' H 1 4.738 0.000 . . . . . . A 27 C H3' . 25427 1 261 . 1 . 1 27 27 C H5 H 1 5.400 0.010 . . . . . . A 27 C H5 . 25427 1 262 . 1 . 1 27 27 C H6 H 1 7.262 0.011 . . . . . . A 27 C H6 . 25427 1 263 . 1 . 1 27 27 C H41 H 1 8.435 0.018 . . . . . . A 27 C H41 . 25427 1 264 . 1 . 1 27 27 C H42 H 1 6.838 0.015 . . . . . . A 27 C H42 . 25427 1 265 . 1 . 1 27 27 C C1' C 13 88.694 0.107 . . . . . . A 27 C C1' . 25427 1 266 . 1 . 1 27 27 C C5 C 13 96.239 0.015 . . . . . . A 27 C C5 . 25427 1 267 . 1 . 1 27 27 C C6 C 13 140.135 0.000 . . . . . . A 27 C C6 . 25427 1 268 . 1 . 1 27 27 C N4 N 15 98.798 0.038 . . . . . . A 27 C N4 . 25427 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_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 6 '2D 1H-13C HSQC aromatic' . . . 25427 2 7 '2D 1H-13C HSQC aliphatic' . . . 25427 2 8 '2D 1H-13C HSQC aliphatic' . . . 25427 2 9 '3D 1H-13C NOESY-HSQC aliphatic' . . . 25427 2 10 '3D 1H-13C NOESY-HMQC aromatic' . . . 25427 2 11 '3D HCCH-COSY' . . . 25427 2 12 '3D HCCH-TOCSY' . . . 25427 2 13 '2D 1H-15N lrHSQC' . . . 25427 2 15 '2D 1H-31P HCP' . . . 25427 2 16 '3D HCCH-TOCSY-E.COSY' . . . 25427 2 17 '2D 13C filter NOESY' . . . 25427 2 18 '2D 13C filter TOCSY' . . . 25427 2 19 '2D quant 31P coupled 1H, 13C HSQC' . . . 25427 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 5.868 0.034 . . . . . . A 1 G H1' . 25427 2 2 . 1 . 1 1 1 G H2' H 1 4.876 0.033 . . . . . . A 1 G H2' . 25427 2 3 . 1 . 1 1 1 G H3' H 1 4.749 0.073 . . . . . . A 1 G H3' . 25427 2 4 . 1 . 1 1 1 G H4' H 1 4.600 0.004 . . . . . . A 1 G H4' . 25427 2 5 . 1 . 1 1 1 G H5" H 1 4.492 0.045 . . . . . . A 1 G H5" . 25427 2 6 . 1 . 1 1 1 G H5' H 1 4.330 0.021 . . . . . . A 1 G H5' . 25427 2 7 . 1 . 1 1 1 G H8 H 1 8.252 0.030 . . . . . . A 1 G H8 . 25427 2 8 . 1 . 1 1 1 G C1' C 13 89.029 0.076 . . . . . . A 1 G C1' . 25427 2 9 . 1 . 1 1 1 G C2' C 13 72.688 0.097 . . . . . . A 1 G C2' . 25427 2 10 . 1 . 1 1 1 G C3' C 13 71.812 0.142 . . . . . . A 1 G C3' . 25427 2 11 . 1 . 1 1 1 G C4' C 13 80.458 0.032 . . . . . . A 1 G C4' . 25427 2 12 . 1 . 1 1 1 G C5' C 13 64.111 0.000 . . . . . . A 1 G C5' . 25427 2 13 . 1 . 1 1 1 G C8 C 13 136.539 0.004 . . . . . . A 1 G C8 . 25427 2 14 . 1 . 1 2 2 G H1' H 1 5.960 0.037 . . . . . . A 2 G H1' . 25427 2 15 . 1 . 1 2 2 G H2' H 1 4.798 0.040 . . . . . . A 2 G H2' . 25427 2 16 . 1 . 1 2 2 G H3' H 1 4.467 0.037 . . . . . . A 2 G H3' . 25427 2 17 . 1 . 1 2 2 G H4' H 1 4.605 0.005 . . . . . . A 2 G H4' . 25427 2 18 . 1 . 1 2 2 G H5" H 1 4.532 0.025 . . . . . . A 2 G H5" . 25427 2 19 . 1 . 1 2 2 G H5' H 1 4.290 0.020 . . . . . . A 2 G H5' . 25427 2 20 . 1 . 1 2 2 G H8 H 1 7.595 0.038 . . . . . . A 2 G H8 . 25427 2 21 . 1 . 1 2 2 G C1' C 13 90.599 0.060 . . . . . . A 2 G C1' . 25427 2 22 . 1 . 1 2 2 G C2' C 13 72.448 0.079 . . . . . . A 2 G C2' . 25427 2 23 . 1 . 1 2 2 G C3' C 13 70.366 0.095 . . . . . . A 2 G C3' . 25427 2 24 . 1 . 1 2 2 G C4' C 13 79.938 0.040 . . . . . . A 2 G C4' . 25427 2 25 . 1 . 1 2 2 G C5' C 13 63.521 0.000 . . . . . . A 2 G C5' . 25427 2 26 . 1 . 1 2 2 G C8 C 13 134.576 0.013 . . . . . . A 2 G C8 . 25427 2 27 . 1 . 1 3 3 C H1' H 1 5.584 0.031 . . . . . . A 3 C H1' . 25427 2 28 . 1 . 1 3 3 C H2' H 1 4.363 0.004 . . . . . . A 3 C H2' . 25427 2 29 . 1 . 1 3 3 C H3' H 1 4.555 0.004 . . . . . . A 3 C H3' . 25427 2 30 . 1 . 1 3 3 C H4' H 1 4.496 0.013 . . . . . . A 3 C H4' . 25427 2 31 . 1 . 1 3 3 C H5 H 1 5.480 0.042 . . . . . . A 3 C H5 . 25427 2 32 . 1 . 1 3 3 C H5" H 1 4.601 0.028 . . . . . . A 3 C H5" . 25427 2 33 . 1 . 1 3 3 C H5' H 1 4.150 0.021 . . . . . . A 3 C H5' . 25427 2 34 . 1 . 1 3 3 C H6 H 1 7.786 0.040 . . . . . . A 3 C H6 . 25427 2 35 . 1 . 1 3 3 C C1' C 13 91.454 0.108 . . . . . . A 3 C C1' . 25427 2 36 . 1 . 1 3 3 C C2' C 13 72.772 0.063 . . . . . . A 3 C C2' . 25427 2 37 . 1 . 1 3 3 C C3' C 13 69.278 0.098 . . . . . . A 3 C C3' . 25427 2 38 . 1 . 1 3 3 C C4' C 13 79.032 0.085 . . . . . . A 3 C C4' . 25427 2 39 . 1 . 1 3 3 C C5 C 13 94.495 0.019 . . . . . . A 3 C C5 . 25427 2 40 . 1 . 1 3 3 C C5' C 13 61.188 0.000 . . . . . . A 3 C C5' . 25427 2 41 . 1 . 1 3 3 C C6 C 13 138.163 0.022 . . . . . . A 3 C C6 . 25427 2 42 . 1 . 1 4 4 U H1' H 1 5.536 0.036 . . . . . . A 4 U H1' . 25427 2 43 . 1 . 1 4 4 U H2' H 1 4.270 0.034 . . . . . . A 4 U H2' . 25427 2 44 . 1 . 1 4 4 U H3' H 1 4.637 0.026 . . . . . . A 4 U H3' . 25427 2 45 . 1 . 1 4 4 U H4' H 1 4.444 0.005 . . . . . . A 4 U H4' . 25427 2 46 . 1 . 1 4 4 U H5 H 1 5.470 0.038 . . . . . . A 4 U H5 . 25427 2 47 . 1 . 1 4 4 U H5' H 1 4.150 0.002 . . . . . . A 4 U H5' . 25427 2 48 . 1 . 1 4 4 U H6 H 1 7.943 0.043 . . . . . . A 4 U H6 . 25427 2 49 . 1 . 1 4 4 U C1' C 13 91.700 0.110 . . . . . . A 4 U C1' . 25427 2 50 . 1 . 1 4 4 U C2' C 13 72.358 0.072 . . . . . . A 4 U C2' . 25427 2 51 . 1 . 1 4 4 U C3' C 13 69.251 0.065 . . . . . . A 4 U C3' . 25427 2 52 . 1 . 1 4 4 U C4' C 13 79.568 0.000 . . . . . . A 4 U C4' . 25427 2 53 . 1 . 1 4 4 U C5 C 13 100.101 0.006 . . . . . . A 4 U C5 . 25427 2 54 . 1 . 1 4 4 U C6 C 13 139.630 0.002 . . . . . . A 4 U C6 . 25427 2 55 . 1 . 1 5 5 G H1' H 1 5.875 0.037 . . . . . . A 5 G H1' . 25427 2 56 . 1 . 1 5 5 G H2' H 1 4.859 0.070 . . . . . . A 5 G H2' . 25427 2 57 . 1 . 1 5 5 G H3' H 1 4.282 0.028 . . . . . . A 5 G H3' . 25427 2 58 . 1 . 1 5 5 G H4' H 1 4.653 0.006 . . . . . . A 5 G H4' . 25427 2 59 . 1 . 1 5 5 G H5" H 1 4.565 0.003 . . . . . . A 5 G H5" . 25427 2 60 . 1 . 1 5 5 G H5' H 1 4.759 0.005 . . . . . . A 5 G H5' . 25427 2 61 . 1 . 1 5 5 G H8 H 1 8.088 0.042 . . . . . . A 5 G H8 . 25427 2 62 . 1 . 1 5 5 G C1' C 13 86.248 0.089 . . . . . . A 5 G C1' . 25427 2 63 . 1 . 1 5 5 G C2' C 13 75.282 0.143 . . . . . . A 5 G C2' . 25427 2 64 . 1 . 1 5 5 G C3' C 13 73.500 0.000 . . . . . . A 5 G C3' . 25427 2 65 . 1 . 1 5 5 G C4' C 13 83.462 0.025 . . . . . . A 5 G C4' . 25427 2 66 . 1 . 1 5 5 G C8 C 13 135.934 0.005 . . . . . . A 5 G C8 . 25427 2 67 . 1 . 1 6 6 C H1' H 1 5.677 0.030 . . . . . . A 6 C H1' . 25427 2 68 . 1 . 1 6 6 C H2' H 1 4.240 0.032 . . . . . . A 6 C H2' . 25427 2 69 . 1 . 1 6 6 C H3' H 1 4.574 0.295 . . . . . . A 6 C H3' . 25427 2 70 . 1 . 1 6 6 C H4' H 1 4.410 0.005 . . . . . . A 6 C H4' . 25427 2 71 . 1 . 1 6 6 C H5 H 1 5.722 0.377 . . . . . . A 6 C H5 . 25427 2 72 . 1 . 1 6 6 C H5" H 1 4.330 0.022 . . . . . . A 6 C H5" . 25427 2 73 . 1 . 1 6 6 C H5' H 1 4.547 0.022 . . . . . . A 6 C H5' . 25427 2 74 . 1 . 1 6 6 C H6 H 1 7.855 0.106 . . . . . . A 6 C H6 . 25427 2 75 . 1 . 1 6 6 C C1' C 13 88.715 0.213 . . . . . . A 6 C C1' . 25427 2 76 . 1 . 1 6 6 C C2' C 13 74.203 0.107 . . . . . . A 6 C C2' . 25427 2 77 . 1 . 1 6 6 C C3' C 13 72.373 1.306 . . . . . . A 6 C C3' . 25427 2 78 . 1 . 1 6 6 C C4' C 13 81.379 0.031 . . . . . . A 6 C C4' . 25427 2 79 . 1 . 1 6 6 C C5 C 13 95.761 0.422 . . . . . . A 6 C C5 . 25427 2 80 . 1 . 1 6 6 C C5' C 13 65.111 0.000 . . . . . . A 6 C C5' . 25427 2 81 . 1 . 1 6 6 C C6 C 13 139.888 0.002 . . . . . . A 6 C C6 . 25427 2 82 . 1 . 1 7 7 U H1' H 1 6.086 0.010 . . . . . . A 7 U H1' . 25427 2 83 . 1 . 1 7 7 U H2' H 1 4.477 0.034 . . . . . . A 7 U H2' . 25427 2 84 . 1 . 1 7 7 U H3' H 1 4.681 0.007 . . . . . . A 7 U H3' . 25427 2 85 . 1 . 1 7 7 U H4' H 1 4.582 0.081 . . . . . . A 7 U H4' . 25427 2 86 . 1 . 1 7 7 U H5 H 1 5.976 0.023 . . . . . . A 7 U H5 . 25427 2 87 . 1 . 1 7 7 U H5' H 1 4.191 0.021 . . . . . . A 7 U H5' . 25427 2 88 . 1 . 1 7 7 U H6 H 1 7.930 0.036 . . . . . . A 7 U H6 . 25427 2 89 . 1 . 1 7 7 U C1' C 13 87.453 0.039 . . . . . . A 7 U C1' . 25427 2 90 . 1 . 1 7 7 U C2' C 13 72.596 0.401 . . . . . . A 7 U C2' . 25427 2 91 . 1 . 1 7 7 U C3' C 13 74.377 0.176 . . . . . . A 7 U C3' . 25427 2 92 . 1 . 1 7 7 U C4' C 13 82.393 0.120 . . . . . . A 7 U C4' . 25427 2 93 . 1 . 1 7 7 U C5 C 13 102.992 0.102 . . . . . . A 7 U C5 . 25427 2 94 . 1 . 1 7 7 U C5' C 13 65.070 0.000 . . . . . . A 7 U C5' . 25427 2 95 . 1 . 1 7 7 U C6 C 13 141.367 0.017 . . . . . . A 7 U C6 . 25427 2 96 . 1 . 1 8 8 U H1' H 1 6.131 0.060 . . . . . . A 8 U H1' . 25427 2 97 . 1 . 1 8 8 U H2' H 1 4.551 0.099 . . . . . . A 8 U H2' . 25427 2 98 . 1 . 1 8 8 U H3' H 1 4.750 0.082 . . . . . . A 8 U H3' . 25427 2 99 . 1 . 1 8 8 U H4' H 1 4.584 0.079 . . . . . . A 8 U H4' . 25427 2 100 . 1 . 1 8 8 U H5 H 1 6.008 0.069 . . . . . . A 8 U H5 . 25427 2 101 . 1 . 1 8 8 U H5" H 1 4.300 0.022 . . . . . . A 8 U H5" . 25427 2 102 . 1 . 1 8 8 U H5' H 1 4.215 0.020 . . . . . . A 8 U H5' . 25427 2 103 . 1 . 1 8 8 U H6 H 1 7.960 0.044 . . . . . . A 8 U H6 . 25427 2 104 . 1 . 1 8 8 U C1' C 13 87.430 0.016 . . . . . . A 8 U C1' . 25427 2 105 . 1 . 1 8 8 U C2' C 13 72.228 0.396 . . . . . . A 8 U C2' . 25427 2 106 . 1 . 1 8 8 U C3' C 13 74.056 0.063 . . . . . . A 8 U C3' . 25427 2 107 . 1 . 1 8 8 U C4' C 13 82.388 0.114 . . . . . . A 8 U C4' . 25427 2 108 . 1 . 1 8 8 U C5 C 13 103.029 0.092 . . . . . . A 8 U C5 . 25427 2 109 . 1 . 1 8 8 U C5' C 13 65.361 0.000 . . . . . . A 8 U C5' . 25427 2 110 . 1 . 1 8 8 U C6 C 13 141.324 0.019 . . . . . . A 8 U C6 . 25427 2 111 . 1 . 1 9 9 G H1' H 1 5.783 0.033 . . . . . . A 9 G H1' . 25427 2 112 . 1 . 1 9 9 G H2' H 1 4.887 0.118 . . . . . . A 9 G H2' . 25427 2 113 . 1 . 1 9 9 G H3' H 1 4.105 0.005 . . . . . . A 9 G H3' . 25427 2 114 . 1 . 1 9 9 G H4' H 1 4.579 0.005 . . . . . . A 9 G H4' . 25427 2 115 . 1 . 1 9 9 G H5" H 1 4.384 0.020 . . . . . . A 9 G H5" . 25427 2 116 . 1 . 1 9 9 G H5' H 1 4.315 0.023 . . . . . . A 9 G H5' . 25427 2 117 . 1 . 1 9 9 G H8 H 1 7.885 0.033 . . . . . . A 9 G H8 . 25427 2 118 . 1 . 1 9 9 G C1' C 13 91.736 0.075 . . . . . . A 9 G C1' . 25427 2 119 . 1 . 1 9 9 G C2' C 13 71.960 0.180 . . . . . . A 9 G C2' . 25427 2 120 . 1 . 1 9 9 G C3' C 13 72.932 0.073 . . . . . . A 9 G C3' . 25427 2 121 . 1 . 1 9 9 G C4' C 13 80.229 0.091 . . . . . . A 9 G C4' . 25427 2 122 . 1 . 1 9 9 G C5' C 13 66.321 0.000 . . . . . . A 9 G C5' . 25427 2 123 . 1 . 1 9 9 G C8 C 13 134.572 0.022 . . . . . . A 9 G C8 . 25427 2 124 . 1 . 1 10 10 U H1' H 1 5.595 0.039 . . . . . . A 10 U H1' . 25427 2 125 . 1 . 1 10 10 U H2' H 1 3.727 0.039 . . . . . . A 10 U H2' . 25427 2 126 . 1 . 1 10 10 U H3' H 1 4.548 0.004 . . . . . . A 10 U H3' . 25427 2 127 . 1 . 1 10 10 U H4' H 1 4.370 0.003 . . . . . . A 10 U H4' . 25427 2 128 . 1 . 1 10 10 U H5 H 1 5.160 0.039 . . . . . . A 10 U H5 . 25427 2 129 . 1 . 1 10 10 U H5" H 1 4.476 0.024 . . . . . . A 10 U H5" . 25427 2 130 . 1 . 1 10 10 U H5' H 1 4.089 0.025 . . . . . . A 10 U H5' . 25427 2 131 . 1 . 1 10 10 U H6 H 1 7.820 0.024 . . . . . . A 10 U H6 . 25427 2 132 . 1 . 1 10 10 U C1' C 13 91.317 0.032 . . . . . . A 10 U C1' . 25427 2 133 . 1 . 1 10 10 U C2' C 13 72.858 0.013 . . . . . . A 10 U C2' . 25427 2 134 . 1 . 1 10 10 U C3' C 13 69.512 0.189 . . . . . . A 10 U C3' . 25427 2 135 . 1 . 1 10 10 U C4' C 13 79.987 0.124 . . . . . . A 10 U C4' . 25427 2 136 . 1 . 1 10 10 U C5 C 13 100.293 0.048 . . . . . . A 10 U C5 . 25427 2 137 . 1 . 1 10 10 U C5' C 13 61.271 0.000 . . . . . . A 10 U C5' . 25427 2 138 . 1 . 1 10 10 U C6 C 13 139.328 0.008 . . . . . . A 10 U C6 . 25427 2 139 . 1 . 1 11 11 C H1' H 1 5.654 0.021 . . . . . . A 11 C H1' . 25427 2 140 . 1 . 1 11 11 C H2' H 1 4.187 0.045 . . . . . . A 11 C H2' . 25427 2 141 . 1 . 1 11 11 C H3' H 1 4.732 0.005 . . . . . . A 11 C H3' . 25427 2 142 . 1 . 1 11 11 C H4' H 1 4.415 0.002 . . . . . . A 11 C H4' . 25427 2 143 . 1 . 1 11 11 C H5 H 1 5.798 0.044 . . . . . . A 11 C H5 . 25427 2 144 . 1 . 1 11 11 C H5" H 1 4.338 0.025 . . . . . . A 11 C H5" . 25427 2 145 . 1 . 1 11 11 C H5' H 1 4.040 0.023 . . . . . . A 11 C H5' . 25427 2 146 . 1 . 1 11 11 C H6 H 1 7.754 0.038 . . . . . . A 11 C H6 . 25427 2 147 . 1 . 1 11 11 C C1' C 13 88.109 0.193 . . . . . . A 11 C C1' . 25427 2 148 . 1 . 1 11 11 C C3' C 13 73.237 0.051 . . . . . . A 11 C C3' . 25427 2 149 . 1 . 1 11 11 C C4' C 13 81.405 0.002 . . . . . . A 11 C C4' . 25427 2 150 . 1 . 1 11 11 C C5 C 13 96.292 0.064 . . . . . . A 11 C C5 . 25427 2 151 . 1 . 1 11 11 C C5' C 13 63.971 0.000 . . . . . . A 11 C C5' . 25427 2 152 . 1 . 1 11 11 C C6 C 13 140.298 0.007 . . . . . . A 11 C C6 . 25427 2 153 . 1 . 1 12 12 C H1' H 1 5.623 0.004 . . . . . . A 12 C H1' . 25427 2 154 . 1 . 1 12 12 C H2' H 1 4.491 0.005 . . . . . . A 12 C H2' . 25427 2 155 . 1 . 1 12 12 C H3' H 1 4.093 0.003 . . . . . . A 12 C H3' . 25427 2 156 . 1 . 1 12 12 C H4' H 1 4.485 0.061 . . . . . . A 12 C H4' . 25427 2 157 . 1 . 1 12 12 C H5 H 1 5.402 0.292 . . . . . . A 12 C H5 . 25427 2 158 . 1 . 1 12 12 C H5" H 1 4.471 0.000 . . . . . . A 12 C H5" . 25427 2 159 . 1 . 1 12 12 C H5' H 1 4.277 0.010 . . . . . . A 12 C H5' . 25427 2 160 . 1 . 1 12 12 C H6 H 1 7.751 0.041 . . . . . . A 12 C H6 . 25427 2 161 . 1 . 1 12 12 C C1' C 13 91.739 0.085 . . . . . . A 12 C C1' . 25427 2 162 . 1 . 1 12 12 C C2' C 13 72.858 0.041 . . . . . . A 12 C C2' . 25427 2 163 . 1 . 1 12 12 C C3' C 13 70.411 0.024 . . . . . . A 12 C C3' . 25427 2 164 . 1 . 1 12 12 C C4' C 13 80.283 0.058 . . . . . . A 12 C C4' . 25427 2 165 . 1 . 1 12 12 C C5 C 13 95.331 0.453 . . . . . . A 12 C C5 . 25427 2 166 . 1 . 1 12 12 C C6 C 13 139.584 0.009 . . . . . . A 12 C C6 . 25427 2 167 . 1 . 1 13 13 U H1' H 1 5.725 0.036 . . . . . . A 13 U H1' . 25427 2 168 . 1 . 1 13 13 U H2' H 1 4.202 0.036 . . . . . . A 13 U H2' . 25427 2 169 . 1 . 1 13 13 U H3' H 1 4.461 0.040 . . . . . . A 13 U H3' . 25427 2 170 . 1 . 1 13 13 U H4' H 1 4.407 0.007 . . . . . . A 13 U H4' . 25427 2 171 . 1 . 1 13 13 U H5 H 1 5.517 0.041 . . . . . . A 13 U H5 . 25427 2 172 . 1 . 1 13 13 U H5" H 1 4.385 0.163 . . . . . . A 13 U H5" . 25427 2 173 . 1 . 1 13 13 U H5' H 1 4.102 0.026 . . . . . . A 13 U H5' . 25427 2 174 . 1 . 1 13 13 U H6 H 1 7.930 0.043 . . . . . . A 13 U H6 . 25427 2 175 . 1 . 1 13 13 U C1' C 13 90.609 0.067 . . . . . . A 13 U C1' . 25427 2 176 . 1 . 1 13 13 U C2' C 13 72.933 0.057 . . . . . . A 13 U C2' . 25427 2 177 . 1 . 1 13 13 U C3' C 13 68.621 0.034 . . . . . . A 13 U C3' . 25427 2 178 . 1 . 1 13 13 U C4' C 13 79.552 0.033 . . . . . . A 13 U C4' . 25427 2 179 . 1 . 1 13 13 U C5 C 13 102.150 0.021 . . . . . . A 13 U C5 . 25427 2 180 . 1 . 1 13 13 U C5' C 13 61.551 0.000 . . . . . . A 13 U C5' . 25427 2 181 . 1 . 1 13 13 U C6 C 13 137.742 0.002 . . . . . . A 13 U C6 . 25427 2 182 . 1 . 1 14 14 U H1' H 1 5.450 0.033 . . . . . . A 14 U H1' . 25427 2 183 . 1 . 1 14 14 U H2' H 1 4.776 0.240 . . . . . . A 14 U H2' . 25427 2 184 . 1 . 1 14 14 U H3' H 1 4.481 0.077 . . . . . . A 14 U H3' . 25427 2 185 . 1 . 1 14 14 U H4' H 1 4.301 0.052 . . . . . . A 14 U H4' . 25427 2 186 . 1 . 1 14 14 U H5 H 1 5.303 0.037 . . . . . . A 14 U H5 . 25427 2 187 . 1 . 1 14 14 U H5" H 1 4.525 0.005 . . . . . . A 14 U H5" . 25427 2 188 . 1 . 1 14 14 U H5' H 1 4.037 0.007 . . . . . . A 14 U H5' . 25427 2 189 . 1 . 1 14 14 U H6 H 1 7.504 0.041 . . . . . . A 14 U H6 . 25427 2 190 . 1 . 1 14 14 U C1' C 13 91.774 0.110 . . . . . . A 14 U C1' . 25427 2 191 . 1 . 1 14 14 U C2' C 13 71.630 0.029 . . . . . . A 14 U C2' . 25427 2 192 . 1 . 1 14 14 U C3' C 13 69.269 0.088 . . . . . . A 14 U C3' . 25427 2 193 . 1 . 1 14 14 U C4' C 13 79.148 0.058 . . . . . . A 14 U C4' . 25427 2 194 . 1 . 1 14 14 U C5 C 13 100.110 0.020 . . . . . . A 14 U C5 . 25427 2 195 . 1 . 1 14 14 U C6 C 13 139.154 0.015 . . . . . . A 14 U C6 . 25427 2 196 . 1 . 1 15 15 U H1' H 1 5.351 0.037 . . . . . . A 15 U H1' . 25427 2 197 . 1 . 1 15 15 U H2' H 1 4.070 0.037 . . . . . . A 15 U H2' . 25427 2 198 . 1 . 1 15 15 U H3' H 1 4.268 0.039 . . . . . . A 15 U H3' . 25427 2 199 . 1 . 1 15 15 U H4' H 1 4.185 0.005 . . . . . . A 15 U H4' . 25427 2 200 . 1 . 1 15 15 U H5 H 1 5.706 0.043 . . . . . . A 15 U H5 . 25427 2 201 . 1 . 1 15 15 U H5" H 1 4.244 0.025 . . . . . . A 15 U H5" . 25427 2 202 . 1 . 1 15 15 U H5' H 1 3.992 0.019 . . . . . . A 15 U H5' . 25427 2 203 . 1 . 1 15 15 U H6 H 1 7.678 0.040 . . . . . . A 15 U H6 . 25427 2 204 . 1 . 1 15 15 U C1' C 13 91.825 0.042 . . . . . . A 15 U C1' . 25427 2 205 . 1 . 1 15 15 U C2' C 13 72.920 0.065 . . . . . . A 15 U C2' . 25427 2 206 . 1 . 1 15 15 U C3' C 13 68.630 0.020 . . . . . . A 15 U C3' . 25427 2 207 . 1 . 1 15 15 U C4' C 13 79.816 0.015 . . . . . . A 15 U C4' . 25427 2 208 . 1 . 1 15 15 U C5 C 13 101.383 0.026 . . . . . . A 15 U C5 . 25427 2 209 . 1 . 1 15 15 U C5' C 13 60.741 0.000 . . . . . . A 15 U C5' . 25427 2 210 . 1 . 1 15 15 U C6 C 13 140.220 0.010 . . . . . . A 15 U C6 . 25427 2 211 . 1 . 1 16 16 A H1' H 1 6.295 0.036 . . . . . . A 16 A H1' . 25427 2 212 . 1 . 1 16 16 A H2 H 1 8.364 0.005 . . . . . . A 16 A H2 . 25427 2 213 . 1 . 1 16 16 A H2' H 1 4.087 0.022 . . . . . . A 16 A H2' . 25427 2 214 . 1 . 1 16 16 A H3' H 1 5.101 0.034 . . . . . . A 16 A H3' . 25427 2 215 . 1 . 1 16 16 A H4' H 1 4.265 0.004 . . . . . . A 16 A H4' . 25427 2 216 . 1 . 1 16 16 A H5" H 1 4.257 0.026 . . . . . . A 16 A H5" . 25427 2 217 . 1 . 1 16 16 A H5' H 1 4.019 0.022 . . . . . . A 16 A H5' . 25427 2 218 . 1 . 1 16 16 A H8 H 1 8.234 0.042 . . . . . . A 16 A H8 . 25427 2 219 . 1 . 1 16 16 A C1' C 13 90.244 0.022 . . . . . . A 16 A C1' . 25427 2 220 . 1 . 1 16 16 A C2 C 13 152.980 0.000 . . . . . . A 16 A C2 . 25427 2 221 . 1 . 1 16 16 A C2' C 13 74.134 0.043 . . . . . . A 16 A C2' . 25427 2 222 . 1 . 1 16 16 A C3' C 13 69.283 0.042 . . . . . . A 16 A C3' . 25427 2 223 . 1 . 1 16 16 A C4' C 13 80.673 0.058 . . . . . . A 16 A C4' . 25427 2 224 . 1 . 1 16 16 A C5' C 13 61.181 0.000 . . . . . . A 16 A C5' . 25427 2 225 . 1 . 1 16 16 A C8 C 13 140.061 0.001 . . . . . . A 16 A C8 . 25427 2 226 . 1 . 1 17 17 A H1' H 1 6.234 0.038 . . . . . . A 17 A H1' . 25427 2 227 . 1 . 1 17 17 A H2 H 1 8.215 0.002 . . . . . . A 17 A H2 . 25427 2 228 . 1 . 1 17 17 A H2' H 1 5.079 0.353 . . . . . . A 17 A H2' . 25427 2 229 . 1 . 1 17 17 A H3' H 1 5.140 0.021 . . . . . . A 17 A H3' . 25427 2 230 . 1 . 1 17 17 A H4' H 1 4.404 0.044 . . . . . . A 17 A H4' . 25427 2 231 . 1 . 1 17 17 A H5' H 1 4.143 0.021 . . . . . . A 17 A H5' . 25427 2 232 . 1 . 1 17 17 A H8 H 1 8.489 0.034 . . . . . . A 17 A H8 . 25427 2 233 . 1 . 1 17 17 A C1' C 13 85.263 0.025 . . . . . . A 17 A C1' . 25427 2 234 . 1 . 1 17 17 A C2 C 13 153.301 0.000 . . . . . . A 17 A C2 . 25427 2 235 . 1 . 1 17 17 A C2' C 13 71.603 0.012 . . . . . . A 17 A C2' . 25427 2 236 . 1 . 1 17 17 A C3' C 13 75.508 2.764 . . . . . . A 17 A C3' . 25427 2 237 . 1 . 1 17 17 A C4' C 13 82.203 0.038 . . . . . . A 17 A C4' . 25427 2 238 . 1 . 1 17 17 A C5' C 13 64.481 0.000 . . . . . . A 17 A C5' . 25427 2 239 . 1 . 1 17 17 A C8 C 13 138.776 0.012 . . . . . . A 17 A C8 . 25427 2 240 . 1 . 1 18 18 U H1' H 1 4.554 0.037 . . . . . . A 18 U H1' . 25427 2 241 . 1 . 1 18 18 U H2' H 1 4.323 0.033 . . . . . . A 18 U H2' . 25427 2 242 . 1 . 1 18 18 U H3' H 1 4.117 0.026 . . . . . . A 18 U H3' . 25427 2 243 . 1 . 1 18 18 U H4' H 1 3.280 0.005 . . . . . . A 18 U H4' . 25427 2 244 . 1 . 1 18 18 U H5 H 1 5.894 0.043 . . . . . . A 18 U H5 . 25427 2 245 . 1 . 1 18 18 U H5" H 1 4.073 0.005 . . . . . . A 18 U H5" . 25427 2 246 . 1 . 1 18 18 U H5' H 1 4.034 0.061 . . . . . . A 18 U H5' . 25427 2 247 . 1 . 1 18 18 U H6 H 1 7.192 0.037 . . . . . . A 18 U H6 . 25427 2 248 . 1 . 1 18 18 U C1' C 13 90.512 0.025 . . . . . . A 18 U C1' . 25427 2 249 . 1 . 1 18 18 U C2' C 13 71.990 0.032 . . . . . . A 18 U C2' . 25427 2 250 . 1 . 1 18 18 U C3' C 13 69.443 0.046 . . . . . . A 18 U C3' . 25427 2 251 . 1 . 1 18 18 U C4' C 13 78.500 0.000 . . . . . . A 18 U C4' . 25427 2 252 . 1 . 1 18 18 U C5 C 13 103.810 0.020 . . . . . . A 18 U C5 . 25427 2 253 . 1 . 1 18 18 U C6 C 13 137.319 0.005 . . . . . . A 18 U C6 . 25427 2 254 . 1 . 1 19 19 G H1' H 1 5.906 0.005 . . . . . . A 19 G H1' . 25427 2 255 . 1 . 1 19 19 G H2' H 1 4.921 0.003 . . . . . . A 19 G H2' . 25427 2 256 . 1 . 1 19 19 G H3' H 1 4.598 0.306 . . . . . . A 19 G H3' . 25427 2 257 . 1 . 1 19 19 G H4' H 1 4.398 0.004 . . . . . . A 19 G H4' . 25427 2 258 . 1 . 1 19 19 G H5" H 1 4.108 0.005 . . . . . . A 19 G H5" . 25427 2 259 . 1 . 1 19 19 G H5' H 1 4.220 0.000 . . . . . . A 19 G H5' . 25427 2 260 . 1 . 1 19 19 G H8 H 1 7.550 0.030 . . . . . . A 19 G H8 . 25427 2 261 . 1 . 1 19 19 G C1' C 13 89.050 0.075 . . . . . . A 19 G C1' . 25427 2 262 . 1 . 1 19 19 G C2' C 13 73.489 0.027 . . . . . . A 19 G C2' . 25427 2 263 . 1 . 1 19 19 G C3' C 13 69.514 0.090 . . . . . . A 19 G C3' . 25427 2 264 . 1 . 1 19 19 G C4' C 13 78.587 0.033 . . . . . . A 19 G C4' . 25427 2 265 . 1 . 1 19 19 G C8 C 13 133.927 0.021 . . . . . . A 19 G C8 . 25427 2 266 . 1 . 1 20 20 G H1' H 1 5.402 0.038 . . . . . . A 20 G H1' . 25427 2 267 . 1 . 1 20 20 G H2' H 1 4.500 0.159 . . . . . . A 20 G H2' . 25427 2 268 . 1 . 1 20 20 G H3' H 1 4.088 0.072 . . . . . . A 20 G H3' . 25427 2 269 . 1 . 1 20 20 G H4' H 1 4.570 0.007 . . . . . . A 20 G H4' . 25427 2 270 . 1 . 1 20 20 G H5" H 1 4.249 0.029 . . . . . . A 20 G H5" . 25427 2 271 . 1 . 1 20 20 G H5' H 1 4.146 0.093 . . . . . . A 20 G H5' . 25427 2 272 . 1 . 1 20 20 G H8 H 1 7.206 0.036 . . . . . . A 20 G H8 . 25427 2 273 . 1 . 1 20 20 G C1' C 13 90.592 0.069 . . . . . . A 20 G C1' . 25427 2 274 . 1 . 1 20 20 G C2' C 13 72.921 0.401 . . . . . . A 20 G C2' . 25427 2 275 . 1 . 1 20 20 G C3' C 13 71.353 0.041 . . . . . . A 20 G C3' . 25427 2 276 . 1 . 1 20 20 G C4' C 13 79.989 0.138 . . . . . . A 20 G C4' . 25427 2 277 . 1 . 1 20 20 G C5' C 13 66.451 0.000 . . . . . . A 20 G C5' . 25427 2 278 . 1 . 1 20 20 G C8 C 13 134.449 0.008 . . . . . . A 20 G C8 . 25427 2 279 . 1 . 1 21 21 U H1' H 1 5.577 0.040 . . . . . . A 21 U H1' . 25427 2 280 . 1 . 1 21 21 U H2' H 1 4.561 0.004 . . . . . . A 21 U H2' . 25427 2 281 . 1 . 1 21 21 U H3' H 1 4.371 0.038 . . . . . . A 21 U H3' . 25427 2 282 . 1 . 1 21 21 U H4' H 1 4.305 0.152 . . . . . . A 21 U H4' . 25427 2 283 . 1 . 1 21 21 U H5 H 1 5.193 0.038 . . . . . . A 21 U H5 . 25427 2 284 . 1 . 1 21 21 U H5" H 1 4.664 0.027 . . . . . . A 21 U H5" . 25427 2 285 . 1 . 1 21 21 U H5' H 1 4.139 0.085 . . . . . . A 21 U H5' . 25427 2 286 . 1 . 1 21 21 U H6 H 1 7.532 0.032 . . . . . . A 21 U H6 . 25427 2 287 . 1 . 1 21 21 U C1' C 13 91.089 0.111 . . . . . . A 21 U C1' . 25427 2 288 . 1 . 1 21 21 U C2' C 13 72.464 0.086 . . . . . . A 21 U C2' . 25427 2 289 . 1 . 1 21 21 U C3' C 13 69.281 0.057 . . . . . . A 21 U C3' . 25427 2 290 . 1 . 1 21 21 U C5 C 13 99.610 0.095 . . . . . . A 21 U C5 . 25427 2 291 . 1 . 1 21 21 U C5' C 13 61.211 0.000 . . . . . . A 21 U C5' . 25427 2 292 . 1 . 1 21 21 U C6 C 13 139.850 0.011 . . . . . . A 21 U C6 . 25427 2 293 . 1 . 1 22 22 C H1' H 1 5.592 0.004 . . . . . . A 22 C H1' . 25427 2 294 . 1 . 1 22 22 C H2' H 1 4.487 0.006 . . . . . . A 22 C H2' . 25427 2 295 . 1 . 1 22 22 C H3' H 1 4.460 0.006 . . . . . . A 22 C H3' . 25427 2 296 . 1 . 1 22 22 C H4' H 1 4.434 0.003 . . . . . . A 22 C H4' . 25427 2 297 . 1 . 1 22 22 C H5 H 1 5.900 0.042 . . . . . . A 22 C H5 . 25427 2 298 . 1 . 1 22 22 C H5" H 1 4.519 0.030 . . . . . . A 22 C H5" . 25427 2 299 . 1 . 1 22 22 C H5' H 1 4.167 0.029 . . . . . . A 22 C H5' . 25427 2 300 . 1 . 1 22 22 C H6 H 1 8.119 0.037 . . . . . . A 22 C H6 . 25427 2 301 . 1 . 1 22 22 C C1' C 13 90.679 0.051 . . . . . . A 22 C C1' . 25427 2 302 . 1 . 1 22 22 C C2' C 13 73.118 0.038 . . . . . . A 22 C C2' . 25427 2 303 . 1 . 1 22 22 C C3' C 13 69.293 0.045 . . . . . . A 22 C C3' . 25427 2 304 . 1 . 1 22 22 C C4' C 13 79.458 0.055 . . . . . . A 22 C C4' . 25427 2 305 . 1 . 1 22 22 C C5 C 13 96.011 0.016 . . . . . . A 22 C C5 . 25427 2 306 . 1 . 1 22 22 C C5' C 13 61.721 0.000 . . . . . . A 22 C C5' . 25427 2 307 . 1 . 1 22 22 C C6 C 13 138.559 0.006 . . . . . . A 22 C C6 . 25427 2 308 . 1 . 1 23 23 C H1' H 1 5.545 0.032 . . . . . . A 23 C H1' . 25427 2 309 . 1 . 1 23 23 C H2' H 1 4.301 0.036 . . . . . . A 23 C H2' . 25427 2 310 . 1 . 1 23 23 C H3' H 1 4.651 0.038 . . . . . . A 23 C H3' . 25427 2 311 . 1 . 1 23 23 C H4' H 1 4.400 0.007 . . . . . . A 23 C H4' . 25427 2 312 . 1 . 1 23 23 C H5 H 1 5.734 0.037 . . . . . . A 23 C H5 . 25427 2 313 . 1 . 1 23 23 C H5" H 1 4.585 0.005 . . . . . . A 23 C H5" . 25427 2 314 . 1 . 1 23 23 C H5' H 1 4.153 0.008 . . . . . . A 23 C H5' . 25427 2 315 . 1 . 1 23 23 C H6 H 1 8.041 0.040 . . . . . . A 23 C H6 . 25427 2 316 . 1 . 1 23 23 C C1' C 13 90.765 0.116 . . . . . . A 23 C C1' . 25427 2 317 . 1 . 1 23 23 C C2' C 13 72.400 0.000 . . . . . . A 23 C C2' . 25427 2 318 . 1 . 1 23 23 C C3' C 13 69.266 0.055 . . . . . . A 23 C C3' . 25427 2 319 . 1 . 1 23 23 C C4' C 13 79.136 0.069 . . . . . . A 23 C C4' . 25427 2 320 . 1 . 1 23 23 C C5 C 13 96.311 0.005 . . . . . . A 23 C C5 . 25427 2 321 . 1 . 1 23 23 C C6 C 13 137.610 0.004 . . . . . . A 23 C C6 . 25427 2 322 . 1 . 1 24 24 A H1' H 1 5.862 0.035 . . . . . . A 24 A H1' . 25427 2 323 . 1 . 1 24 24 A H2 H 1 7.261 0.038 . . . . . . A 24 A H2 . 25427 2 324 . 1 . 1 24 24 A H2' H 1 4.713 0.007 . . . . . . A 24 A H2' . 25427 2 325 . 1 . 1 24 24 A H3' H 1 4.820 0.004 . . . . . . A 24 A H3' . 25427 2 326 . 1 . 1 24 24 A H4' H 1 4.480 0.005 . . . . . . A 24 A H4' . 25427 2 327 . 1 . 1 24 24 A H5" H 1 4.613 0.021 . . . . . . A 24 A H5" . 25427 2 328 . 1 . 1 24 24 A H5' H 1 4.177 0.020 . . . . . . A 24 A H5' . 25427 2 329 . 1 . 1 24 24 A H8 H 1 8.194 0.032 . . . . . . A 24 A H8 . 25427 2 330 . 1 . 1 24 24 A C1' C 13 89.397 0.126 . . . . . . A 24 A C1' . 25427 2 331 . 1 . 1 24 24 A C2 C 13 149.917 0.000 . . . . . . A 24 A C2 . 25427 2 332 . 1 . 1 24 24 A C2' C 13 73.137 0.043 . . . . . . A 24 A C2' . 25427 2 333 . 1 . 1 24 24 A C3' C 13 69.707 0.081 . . . . . . A 24 A C3' . 25427 2 334 . 1 . 1 24 24 A C4' C 13 78.923 0.018 . . . . . . A 24 A C4' . 25427 2 335 . 1 . 1 24 24 A C5' C 13 61.771 0.000 . . . . . . A 24 A C5' . 25427 2 336 . 1 . 1 24 24 A C8 C 13 136.796 0.000 . . . . . . A 24 A C8 . 25427 2 337 . 1 . 1 25 25 G H1' H 1 5.436 0.037 . . . . . . A 25 G H1' . 25427 2 338 . 1 . 1 25 25 G H2' H 1 4.471 0.041 . . . . . . A 25 G H2' . 25427 2 339 . 1 . 1 25 25 G H3' H 1 4.237 0.035 . . . . . . A 25 G H3' . 25427 2 340 . 1 . 1 25 25 G H4' H 1 4.438 0.004 . . . . . . A 25 G H4' . 25427 2 341 . 1 . 1 25 25 G H5" H 1 4.429 0.025 . . . . . . A 25 G H5" . 25427 2 342 . 1 . 1 25 25 G H5' H 1 4.063 0.022 . . . . . . A 25 G H5' . 25427 2 343 . 1 . 1 25 25 G H8 H 1 7.076 0.033 . . . . . . A 25 G H8 . 25427 2 344 . 1 . 1 25 25 G C1' C 13 89.936 0.019 . . . . . . A 25 G C1' . 25427 2 345 . 1 . 1 25 25 G C2' C 13 72.447 0.074 . . . . . . A 25 G C2' . 25427 2 346 . 1 . 1 25 25 G C3' C 13 70.021 0.059 . . . . . . A 25 G C3' . 25427 2 347 . 1 . 1 25 25 G C4' C 13 79.235 0.034 . . . . . . A 25 G C4' . 25427 2 348 . 1 . 1 25 25 G C5' C 13 62.969 0.000 . . . . . . A 25 G C5' . 25427 2 349 . 1 . 1 25 25 G C8 C 13 132.596 0.014 . . . . . . A 25 G C8 . 25427 2 350 . 1 . 1 26 26 U H1' H 1 5.472 0.035 . . . . . . A 26 U H1' . 25427 2 351 . 1 . 1 26 26 U H2' H 1 4.058 0.039 . . . . . . A 26 U H2' . 25427 2 352 . 1 . 1 26 26 U H3' H 1 4.493 0.034 . . . . . . A 26 U H3' . 25427 2 353 . 1 . 1 26 26 U H4' H 1 4.370 0.005 . . . . . . A 26 U H4' . 25427 2 354 . 1 . 1 26 26 U H5 H 1 5.353 0.041 . . . . . . A 26 U H5 . 25427 2 355 . 1 . 1 26 26 U H5" H 1 4.474 0.027 . . . . . . A 26 U H5" . 25427 2 356 . 1 . 1 26 26 U H5' H 1 4.028 0.028 . . . . . . A 26 U H5' . 25427 2 357 . 1 . 1 26 26 U H6 H 1 7.687 0.037 . . . . . . A 26 U H6 . 25427 2 358 . 1 . 1 26 26 U C1' C 13 91.590 0.016 . . . . . . A 26 U C1' . 25427 2 359 . 1 . 1 26 26 U C2' C 13 72.932 0.059 . . . . . . A 26 U C2' . 25427 2 360 . 1 . 1 26 26 U C3' C 13 69.264 0.065 . . . . . . A 26 U C3' . 25427 2 361 . 1 . 1 26 26 U C4' C 13 79.855 0.026 . . . . . . A 26 U C4' . 25427 2 362 . 1 . 1 26 26 U C5 C 13 101.390 0.027 . . . . . . A 26 U C5 . 25427 2 363 . 1 . 1 26 26 U C5' C 13 62.121 0.000 . . . . . . A 26 U C5' . 25427 2 364 . 1 . 1 26 26 U C6 C 13 137.866 0.012 . . . . . . A 26 U C6 . 25427 2 365 . 1 . 1 27 27 C H1' H 1 6.228 0.016 . . . . . . A 27 C H1' . 25427 2 366 . 1 . 1 27 27 C H2' H 1 4.703 0.006 . . . . . . A 27 C H2' . 25427 2 367 . 1 . 1 27 27 C H3' H 1 5.026 0.003 . . . . . . A 27 C H3' . 25427 2 368 . 1 . 1 27 27 C H4' H 1 4.397 0.004 . . . . . . A 27 C H4' . 25427 2 369 . 1 . 1 27 27 C H5 H 1 5.677 0.042 . . . . . . A 27 C H5 . 25427 2 370 . 1 . 1 27 27 C H5" H 1 4.589 0.021 . . . . . . A 27 C H5" . 25427 2 371 . 1 . 1 27 27 C H5' H 1 4.114 0.019 . . . . . . A 27 C H5' . 25427 2 372 . 1 . 1 27 27 C H6 H 1 7.557 0.037 . . . . . . A 27 C H6 . 25427 2 373 . 1 . 1 27 27 C C1' C 13 88.902 0.022 . . . . . . A 27 C C1' . 25427 2 374 . 1 . 1 27 27 C C2' C 13 82.228 0.039 . . . . . . A 27 C C2' . 25427 2 375 . 1 . 1 27 27 C C3' C 13 75.203 0.010 . . . . . . A 27 C C3' . 25427 2 376 . 1 . 1 27 27 C C4' C 13 82.406 0.119 . . . . . . A 27 C C4' . 25427 2 377 . 1 . 1 27 27 C C5 C 13 96.316 0.011 . . . . . . A 27 C C5 . 25427 2 378 . 1 . 1 27 27 C C5' C 13 62.959 0.000 . . . . . . A 27 C C5' . 25427 2 379 . 1 . 1 27 27 C C6 C 13 140.407 0.003 . . . . . . A 27 C C6 . 25427 2 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_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-1H NOESY' . . . 25427 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 . 2 . 2 1 1 PAR H11 H 1 5.092 0.185 . . . . . . A 101 PAR H11 . 25427 3 2 . 2 . 2 1 1 PAR H12 H 1 2.753 0.010 . . . . . . A 101 PAR H12 . 25427 3 3 . 2 . 2 1 1 PAR H13 H 1 4.021 0.016 . . . . . . A 101 PAR H13 . 25427 3 4 . 2 . 2 1 1 PAR H14 H 1 2.513 0.199 . . . . . . A 101 PAR H14 . 25427 3 5 . 2 . 2 1 1 PAR H15 H 1 3.242 0.032 . . . . . . A 101 PAR H15 . 25427 3 6 . 2 . 2 1 1 PAR H161 H 1 3.364 0.167 . . . . . . A 101 PAR H161 . 25427 3 7 . 2 . 2 1 1 PAR H162 H 1 3.541 0.105 . . . . . . A 101 PAR H162 . 25427 3 8 . 2 . 2 1 1 PAR H21 H 1 2.896 0.083 . . . . . . A 101 PAR H21 . 25427 3 9 . 2 . 2 1 1 PAR H211 H 1 7.128 0.038 . . . . . . A 101 PAR H211 . 25427 3 10 . 2 . 2 1 1 PAR H212 H 1 7.128 0.038 . . . . . . A 101 PAR H212 . 25427 3 11 . 2 . 2 1 1 PAR H213 H 1 7.128 0.038 . . . . . . A 101 PAR H213 . 25427 3 12 . 2 . 2 1 1 PAR H221 H 1 1.327 0.028 . . . . . . A 101 PAR H221 . 25427 3 13 . 2 . 2 1 1 PAR H222 H 1 1.747 0.029 . . . . . . A 101 PAR H222 . 25427 3 14 . 2 . 2 1 1 PAR H23 H 1 2.553 0.078 . . . . . . A 101 PAR H23 . 25427 3 15 . 2 . 2 1 1 PAR H231 H 1 8.081 0.037 . . . . . . A 101 PAR H231 . 25427 3 16 . 2 . 2 1 1 PAR H232 H 1 8.081 0.037 . . . . . . A 101 PAR H232 . 25427 3 17 . 2 . 2 1 1 PAR H233 H 1 8.081 0.037 . . . . . . A 101 PAR H233 . 25427 3 18 . 2 . 2 1 1 PAR H24 H 1 3.550 0.032 . . . . . . A 101 PAR H24 . 25427 3 19 . 2 . 2 1 1 PAR H25 H 1 3.591 0.026 . . . . . . A 101 PAR H25 . 25427 3 20 . 2 . 2 1 1 PAR H26 H 1 3.446 0.024 . . . . . . A 101 PAR H26 . 25427 3 21 . 2 . 2 1 1 PAR H31 H 1 5.335 0.062 . . . . . . A 101 PAR H31 . 25427 3 22 . 2 . 2 1 1 PAR H32 H 1 3.398 0.006 . . . . . . A 101 PAR H32 . 25427 3 23 . 2 . 2 1 1 PAR H33 H 1 4.125 0.005 . . . . . . A 101 PAR H33 . 25427 3 24 . 2 . 2 1 1 PAR H34 H 1 3.748 0.004 . . . . . . A 101 PAR H34 . 25427 3 25 . 2 . 2 1 1 PAR H351 H 1 4.125 0.275 . . . . . . A 101 PAR H351 . 25427 3 26 . 2 . 2 1 1 PAR H352 H 1 3.307 0.027 . . . . . . A 101 PAR H352 . 25427 3 27 . 2 . 2 1 1 PAR H41 H 1 5.242 0.022 . . . . . . A 101 PAR H41 . 25427 3 28 . 2 . 2 1 1 PAR H43 H 1 3.803 0.180 . . . . . . A 101 PAR H43 . 25427 3 29 . 2 . 2 1 1 PAR H45 H 1 3.827 0.052 . . . . . . A 101 PAR H45 . 25427 3 30 . 2 . 2 1 1 PAR HO13 H 1 6.097 0.002 . . . . . . A 101 PAR HO13 . 25427 3 31 . 2 . 2 1 1 PAR HO14 H 1 6.852 0.033 . . . . . . A 101 PAR HO14 . 25427 3 32 . 2 . 2 1 1 PAR HO16 H 1 7.130 0.038 . . . . . . A 101 PAR HO16 . 25427 3 33 . 2 . 2 1 1 PAR HO26 H 1 8.376 0.023 . . . . . . A 101 PAR HO26 . 25427 3 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_assigned_chem_shift_list_3_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3_dup _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-1H NOESY' . . . 25427 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 . 2 . 2 1 1 PAR H11 H 1 5.293 0.012 . . . . . . A 101 PAR H11 . 25427 4 2 . 2 . 2 1 1 PAR H12 H 1 3.076 0.053 . . . . . . A 101 PAR H12 . 25427 4 3 . 2 . 2 1 1 PAR H13 H 1 4.213 0.005 . . . . . . A 101 PAR H13 . 25427 4 4 . 2 . 2 1 1 PAR H14 H 1 2.808 0.408 . . . . . . A 101 PAR H14 . 25427 4 5 . 2 . 2 1 1 PAR H15 H 1 3.434 0.005 . . . . . . A 101 PAR H15 . 25427 4 6 . 2 . 2 1 1 PAR H161 H 1 3.767 0.005 . . . . . . A 101 PAR H161 . 25427 4 7 . 2 . 2 1 1 PAR H162 H 1 3.092 0.003 . . . . . . A 101 PAR H162 . 25427 4 8 . 2 . 2 1 1 PAR H21 H 1 3.159 0.004 . . . . . . A 101 PAR H21 . 25427 4 9 . 2 . 2 1 1 PAR H221 H 1 1.581 0.047 . . . . . . A 101 PAR H221 . 25427 4 10 . 2 . 2 1 1 PAR H222 H 1 1.952 0.004 . . . . . . A 101 PAR H222 . 25427 4 11 . 2 . 2 1 1 PAR H23 H 1 2.792 0.007 . . . . . . A 101 PAR H23 . 25427 4 12 . 2 . 2 1 1 PAR H24 H 1 3.750 0.006 . . . . . . A 101 PAR H24 . 25427 4 13 . 2 . 2 1 1 PAR H25 H 1 3.818 0.006 . . . . . . A 101 PAR H25 . 25427 4 14 . 2 . 2 1 1 PAR H26 H 1 3.687 0.007 . . . . . . A 101 PAR H26 . 25427 4 15 . 2 . 2 1 1 PAR H31 H 1 5.499 0.082 . . . . . . A 101 PAR H31 . 25427 4 16 . 2 . 2 1 1 PAR H32 H 1 3.821 0.391 . . . . . . A 101 PAR H32 . 25427 4 17 . 2 . 2 1 1 PAR H33 H 1 4.406 0.117 . . . . . . A 101 PAR H33 . 25427 4 18 . 2 . 2 1 1 PAR H34 H 1 3.987 0.049 . . . . . . A 101 PAR H34 . 25427 4 19 . 2 . 2 1 1 PAR H351 H 1 4.476 0.193 . . . . . . A 101 PAR H351 . 25427 4 20 . 2 . 2 1 1 PAR H352 H 1 3.502 0.069 . . . . . . A 101 PAR H352 . 25427 4 21 . 2 . 2 1 1 PAR H41 H 1 5.510 0.072 . . . . . . A 101 PAR H41 . 25427 4 22 . 2 . 2 1 1 PAR H42 H 1 3.646 0.002 . . . . . . A 101 PAR H42 . 25427 4 23 . 2 . 2 1 1 PAR H43 H 1 4.331 0.002 . . . . . . A 101 PAR H43 . 25427 4 24 . 2 . 2 1 1 PAR H44 H 1 3.966 0.003 . . . . . . A 101 PAR H44 . 25427 4 25 . 2 . 2 1 1 PAR H45 H 1 4.544 0.005 . . . . . . A 101 PAR H45 . 25427 4 26 . 2 . 2 1 1 PAR H461 H 1 3.530 0.003 . . . . . . A 101 PAR H461 . 25427 4 27 . 2 . 2 1 1 PAR H462 H 1 4.388 0.003 . . . . . . A 101 PAR H462 . 25427 4 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_assigned_chem_shift_list_3_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3_dup_dup _Assigned_chem_shift_list.Entry_ID 25427 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-1H NOESY' . . . 25427 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 5.868 0.034 . . . . . . A 1 G H1' . 25427 5 2 . 1 . 1 1 1 G H2' H 1 4.876 0.033 . . . . . . A 1 G H2' . 25427 5 3 . 1 . 1 1 1 G H3' H 1 4.749 0.073 . . . . . . A 1 G H3' . 25427 5 4 . 1 . 1 1 1 G H4' H 1 4.600 0.004 . . . . . . A 1 G H4' . 25427 5 5 . 1 . 1 1 1 G H5" H 1 4.492 0.045 . . . . . . A 1 G H5" . 25427 5 6 . 1 . 1 1 1 G H5' H 1 4.330 0.021 . . . . . . A 1 G H5' . 25427 5 7 . 1 . 1 1 1 G H8 H 1 8.252 0.030 . . . . . . A 1 G H8 . 25427 5 8 . 1 . 1 1 1 G C1' C 13 91.689 0.076 . . . . . . A 1 G C1' . 25427 5 9 . 1 . 1 1 1 G C2' C 13 75.348 0.097 . . . . . . A 1 G C2' . 25427 5 10 . 1 . 1 1 1 G C3' C 13 74.472 0.142 . . . . . . A 1 G C3' . 25427 5 11 . 1 . 1 1 1 G C4' C 13 83.118 0.032 . . . . . . A 1 G C4' . 25427 5 12 . 1 . 1 1 1 G C5' C 13 66.771 0.000 . . . . . . A 1 G C5' . 25427 5 13 . 1 . 1 1 1 G C8 C 13 139.199 0.004 . . . . . . A 1 G C8 . 25427 5 14 . 1 . 1 2 2 G H1' H 1 5.960 0.037 . . . . . . A 2 G H1' . 25427 5 15 . 1 . 1 2 2 G H2' H 1 4.798 0.040 . . . . . . A 2 G H2' . 25427 5 16 . 1 . 1 2 2 G H3' H 1 4.467 0.037 . . . . . . A 2 G H3' . 25427 5 17 . 1 . 1 2 2 G H4' H 1 4.605 0.005 . . . . . . A 2 G H4' . 25427 5 18 . 1 . 1 2 2 G H5" H 1 4.532 0.025 . . . . . . A 2 G H5" . 25427 5 19 . 1 . 1 2 2 G H5' H 1 4.290 0.020 . . . . . . A 2 G H5' . 25427 5 20 . 1 . 1 2 2 G H8 H 1 7.595 0.038 . . . . . . A 2 G H8 . 25427 5 21 . 1 . 1 2 2 G C1' C 13 93.259 0.060 . . . . . . A 2 G C1' . 25427 5 22 . 1 . 1 2 2 G C2' C 13 75.108 0.079 . . . . . . A 2 G C2' . 25427 5 23 . 1 . 1 2 2 G C3' C 13 73.026 0.095 . . . . . . A 2 G C3' . 25427 5 24 . 1 . 1 2 2 G C4' C 13 82.598 0.040 . . . . . . A 2 G C4' . 25427 5 25 . 1 . 1 2 2 G C5' C 13 66.181 0.000 . . . . . . A 2 G C5' . 25427 5 26 . 1 . 1 2 2 G C8 C 13 137.236 0.013 . . . . . . A 2 G C8 . 25427 5 27 . 1 . 1 3 3 C H1' H 1 5.584 0.031 . . . . . . A 3 C H1' . 25427 5 28 . 1 . 1 3 3 C H2' H 1 4.363 0.004 . . . . . . A 3 C H2' . 25427 5 29 . 1 . 1 3 3 C H3' H 1 4.555 0.004 . . . . . . A 3 C H3' . 25427 5 30 . 1 . 1 3 3 C H4' H 1 4.496 0.013 . . . . . . A 3 C H4' . 25427 5 31 . 1 . 1 3 3 C H5 H 1 5.480 0.042 . . . . . . A 3 C H5 . 25427 5 32 . 1 . 1 3 3 C H5" H 1 4.601 0.028 . . . . . . A 3 C H5" . 25427 5 33 . 1 . 1 3 3 C H5' H 1 4.150 0.021 . . . . . . A 3 C H5' . 25427 5 34 . 1 . 1 3 3 C H6 H 1 7.786 0.040 . . . . . . A 3 C H6 . 25427 5 35 . 1 . 1 3 3 C C1' C 13 94.114 0.108 . . . . . . A 3 C C1' . 25427 5 36 . 1 . 1 3 3 C C2' C 13 75.432 0.063 . . . . . . A 3 C C2' . 25427 5 37 . 1 . 1 3 3 C C3' C 13 71.938 0.098 . . . . . . A 3 C C3' . 25427 5 38 . 1 . 1 3 3 C C4' C 13 81.692 0.085 . . . . . . A 3 C C4' . 25427 5 39 . 1 . 1 3 3 C C5 C 13 97.155 0.019 . . . . . . A 3 C C5 . 25427 5 40 . 1 . 1 3 3 C C5' C 13 63.848 0.000 . . . . . . A 3 C C5' . 25427 5 41 . 1 . 1 3 3 C C6 C 13 140.823 0.022 . . . . . . A 3 C C6 . 25427 5 42 . 1 . 1 4 4 U H1' H 1 5.536 0.036 . . . . . . A 4 U H1' . 25427 5 43 . 1 . 1 4 4 U H2' H 1 4.270 0.034 . . . . . . A 4 U H2' . 25427 5 44 . 1 . 1 4 4 U H3' H 1 4.637 0.026 . . . . . . A 4 U H3' . 25427 5 45 . 1 . 1 4 4 U H4' H 1 4.444 0.005 . . . . . . A 4 U H4' . 25427 5 46 . 1 . 1 4 4 U H5 H 1 5.470 0.038 . . . . . . A 4 U H5 . 25427 5 47 . 1 . 1 4 4 U H5' H 1 4.150 0.002 . . . . . . A 4 U H5' . 25427 5 48 . 1 . 1 4 4 U H6 H 1 7.943 0.043 . . . . . . A 4 U H6 . 25427 5 49 . 1 . 1 4 4 U C1' C 13 93.960 0.110 . . . . . . A 4 U C1' . 25427 5 50 . 1 . 1 4 4 U C2' C 13 75.018 0.072 . . . . . . A 4 U C2' . 25427 5 51 . 1 . 1 4 4 U C3' C 13 71.911 0.065 . . . . . . A 4 U C3' . 25427 5 52 . 1 . 1 4 4 U C4' C 13 82.248 0.000 . . . . . . A 4 U C4' . 25427 5 53 . 1 . 1 4 4 U C5 C 13 102.761 0.006 . . . . . . A 4 U C5 . 25427 5 54 . 1 . 1 4 4 U C6 C 13 142.290 0.002 . . . . . . A 4 U C6 . 25427 5 55 . 1 . 1 5 5 G H1' H 1 5.875 0.037 . . . . . . A 5 G H1' . 25427 5 56 . 1 . 1 5 5 G H2' H 1 4.859 0.070 . . . . . . A 5 G H2' . 25427 5 57 . 1 . 1 5 5 G H3' H 1 4.282 0.028 . . . . . . A 5 G H3' . 25427 5 58 . 1 . 1 5 5 G H4' H 1 4.653 0.006 . . . . . . A 5 G H4' . 25427 5 59 . 1 . 1 5 5 G H5" H 1 4.565 0.003 . . . . . . A 5 G H5" . 25427 5 60 . 1 . 1 5 5 G H5' H 1 4.759 0.005 . . . . . . A 5 G H5' . 25427 5 61 . 1 . 1 5 5 G H8 H 1 8.088 0.042 . . . . . . A 5 G H8 . 25427 5 62 . 1 . 1 5 5 G C1' C 13 88.908 0.089 . . . . . . A 5 G C1' . 25427 5 63 . 1 . 1 5 5 G C2' C 13 77.942 0.143 . . . . . . A 5 G C2' . 25427 5 64 . 1 . 1 5 5 G C3' C 13 75.760 0.000 . . . . . . A 5 G C3' . 25427 5 65 . 1 . 1 5 5 G C4' C 13 86.122 0.025 . . . . . . A 5 G C4' . 25427 5 66 . 1 . 1 5 5 G C8 C 13 138.594 0.005 . . . . . . A 5 G C8 . 25427 5 67 . 1 . 1 6 6 C H1' H 1 5.677 0.030 . . . . . . A 6 C H1' . 25427 5 68 . 1 . 1 6 6 C H2' H 1 4.240 0.032 . . . . . . A 6 C H2' . 25427 5 69 . 1 . 1 6 6 C H3' H 1 4.574 0.295 . . . . . . A 6 C H3' . 25427 5 70 . 1 . 1 6 6 C H4' H 1 4.410 0.005 . . . . . . A 6 C H4' . 25427 5 71 . 1 . 1 6 6 C H5 H 1 5.722 0.377 . . . . . . A 6 C H5 . 25427 5 72 . 1 . 1 6 6 C H5" H 1 4.330 0.022 . . . . . . A 6 C H5" . 25427 5 73 . 1 . 1 6 6 C H5' H 1 4.547 0.022 . . . . . . A 6 C H5' . 25427 5 74 . 1 . 1 6 6 C H6 H 1 7.855 0.106 . . . . . . A 6 C H6 . 25427 5 75 . 1 . 1 6 6 C C1' C 13 91.375 0.213 . . . . . . A 6 C C1' . 25427 5 76 . 1 . 1 6 6 C C2' C 13 76.863 0.107 . . . . . . A 6 C C2' . 25427 5 77 . 1 . 1 6 6 C C3' C 13 75.033 1.306 . . . . . . A 6 C C3' . 25427 5 78 . 1 . 1 6 6 C C4' C 13 84.039 0.031 . . . . . . A 6 C C4' . 25427 5 79 . 1 . 1 6 6 C C5 C 13 98.421 0.422 . . . . . . A 6 C C5 . 25427 5 80 . 1 . 1 6 6 C C5' C 13 67.671 0.000 . . . . . . A 6 C C5' . 25427 5 81 . 1 . 1 6 6 C C6 C 13 142.548 0.002 . . . . . . A 6 C C6 . 25427 5 82 . 1 . 1 7 7 U H1' H 1 6.086 0.010 . . . . . . A 7 U H1' . 25427 5 83 . 1 . 1 7 7 U H2' H 1 4.477 0.034 . . . . . . A 7 U H2' . 25427 5 84 . 1 . 1 7 7 U H3' H 1 4.681 0.007 . . . . . . A 7 U H3' . 25427 5 85 . 1 . 1 7 7 U H4' H 1 4.582 0.081 . . . . . . A 7 U H4' . 25427 5 86 . 1 . 1 7 7 U H5 H 1 5.976 0.023 . . . . . . A 7 U H5 . 25427 5 87 . 1 . 1 7 7 U H5' H 1 4.191 0.021 . . . . . . A 7 U H5' . 25427 5 88 . 1 . 1 7 7 U H6 H 1 7.930 0.036 . . . . . . A 7 U H6 . 25427 5 89 . 1 . 1 7 7 U C1' C 13 90.113 0.039 . . . . . . A 7 U C1' . 25427 5 90 . 1 . 1 7 7 U C2' C 13 75.256 0.401 . . . . . . A 7 U C2' . 25427 5 91 . 1 . 1 7 7 U C3' C 13 77.037 0.176 . . . . . . A 7 U C3' . 25427 5 92 . 1 . 1 7 7 U C4' C 13 85.053 0.120 . . . . . . A 7 U C4' . 25427 5 93 . 1 . 1 7 7 U C5 C 13 105.652 0.102 . . . . . . A 7 U C5 . 25427 5 94 . 1 . 1 7 7 U C5' C 13 67.730 0.000 . . . . . . A 7 U C5' . 25427 5 95 . 1 . 1 7 7 U C6 C 13 144.027 0.017 . . . . . . A 7 U C6 . 25427 5 96 . 1 . 1 8 8 U H1' H 1 6.131 0.060 . . . . . . A 8 U H1' . 25427 5 97 . 1 . 1 8 8 U H2' H 1 4.551 0.099 . . . . . . A 8 U H2' . 25427 5 98 . 1 . 1 8 8 U H3' H 1 4.750 0.082 . . . . . . A 8 U H3' . 25427 5 99 . 1 . 1 8 8 U H4' H 1 4.584 0.079 . . . . . . A 8 U H4' . 25427 5 100 . 1 . 1 8 8 U H5 H 1 6.008 0.069 . . . . . . A 8 U H5 . 25427 5 101 . 1 . 1 8 8 U H5" H 1 4.300 0.022 . . . . . . A 8 U H5" . 25427 5 102 . 1 . 1 8 8 U H5' H 1 4.215 0.020 . . . . . . A 8 U H5' . 25427 5 103 . 1 . 1 8 8 U H6 H 1 7.960 0.044 . . . . . . A 8 U H6 . 25427 5 104 . 1 . 1 8 8 U C1' C 13 90.090 0.016 . . . . . . A 8 U C1' . 25427 5 105 . 1 . 1 8 8 U C2' C 13 74.888 0.396 . . . . . . A 8 U C2' . 25427 5 106 . 1 . 1 8 8 U C3' C 13 76.716 0.063 . . . . . . A 8 U C3' . 25427 5 107 . 1 . 1 8 8 U C4' C 13 85.048 0.114 . . . . . . A 8 U C4' . 25427 5 108 . 1 . 1 8 8 U C5 C 13 105.689 0.092 . . . . . . A 8 U C5 . 25427 5 109 . 1 . 1 8 8 U C5' C 13 68.021 0.000 . . . . . . A 8 U C5' . 25427 5 110 . 1 . 1 8 8 U C6 C 13 143.984 0.019 . . . . . . A 8 U C6 . 25427 5 111 . 1 . 1 9 9 G H1' H 1 5.783 0.033 . . . . . . A 9 G H1' . 25427 5 112 . 1 . 1 9 9 G H2' H 1 4.887 0.118 . . . . . . A 9 G H2' . 25427 5 113 . 1 . 1 9 9 G H3' H 1 4.105 0.005 . . . . . . A 9 G H3' . 25427 5 114 . 1 . 1 9 9 G H4' H 1 4.579 0.005 . . . . . . A 9 G H4' . 25427 5 115 . 1 . 1 9 9 G H5" H 1 4.384 0.020 . . . . . . A 9 G H5" . 25427 5 116 . 1 . 1 9 9 G H5' H 1 4.315 0.023 . . . . . . A 9 G H5' . 25427 5 117 . 1 . 1 9 9 G H8 H 1 7.885 0.033 . . . . . . A 9 G H8 . 25427 5 118 . 1 . 1 9 9 G C1' C 13 94.396 0.075 . . . . . . A 9 G C1' . 25427 5 119 . 1 . 1 9 9 G C2' C 13 74.620 0.180 . . . . . . A 9 G C2' . 25427 5 120 . 1 . 1 9 9 G C3' C 13 75.592 0.073 . . . . . . A 9 G C3' . 25427 5 121 . 1 . 1 9 9 G C4' C 13 82.889 0.091 . . . . . . A 9 G C4' . 25427 5 122 . 1 . 1 9 9 G C5' C 13 68.981 0.000 . . . . . . A 9 G C5' . 25427 5 123 . 1 . 1 9 9 G C8 C 13 137.232 0.022 . . . . . . A 9 G C8 . 25427 5 124 . 1 . 1 10 10 U H1' H 1 5.595 0.039 . . . . . . A 10 U H1' . 25427 5 125 . 1 . 1 10 10 U H2' H 1 3.727 0.039 . . . . . . A 10 U H2' . 25427 5 126 . 1 . 1 10 10 U H3' H 1 4.548 0.004 . . . . . . A 10 U H3' . 25427 5 127 . 1 . 1 10 10 U H4' H 1 4.370 0.003 . . . . . . A 10 U H4' . 25427 5 128 . 1 . 1 10 10 U H5 H 1 5.160 0.039 . . . . . . A 10 U H5 . 25427 5 129 . 1 . 1 10 10 U H5" H 1 4.476 0.024 . . . . . . A 10 U H5" . 25427 5 130 . 1 . 1 10 10 U H5' H 1 4.089 0.025 . . . . . . A 10 U H5' . 25427 5 131 . 1 . 1 10 10 U H6 H 1 7.820 0.024 . . . . . . A 10 U H6 . 25427 5 132 . 1 . 1 10 10 U C1' C 13 93.977 0.032 . . . . . . A 10 U C1' . 25427 5 133 . 1 . 1 10 10 U C2' C 13 75.518 0.013 . . . . . . A 10 U C2' . 25427 5 134 . 1 . 1 10 10 U C3' C 13 71.172 0.189 . . . . . . A 10 U C3' . 25427 5 135 . 1 . 1 10 10 U C4' C 13 82.647 0.124 . . . . . . A 10 U C4' . 25427 5 136 . 1 . 1 10 10 U C5 C 13 102.953 0.048 . . . . . . A 10 U C5 . 25427 5 137 . 1 . 1 10 10 U C5' C 13 63.931 0.000 . . . . . . A 10 U C5' . 25427 5 138 . 1 . 1 10 10 U C6 C 13 141.988 0.008 . . . . . . A 10 U C6 . 25427 5 139 . 1 . 1 11 11 C H1' H 1 5.654 0.021 . . . . . . A 11 C H1' . 25427 5 140 . 1 . 1 11 11 C H2' H 1 4.187 0.045 . . . . . . A 11 C H2' . 25427 5 141 . 1 . 1 11 11 C H3' H 1 4.732 0.005 . . . . . . A 11 C H3' . 25427 5 142 . 1 . 1 11 11 C H4' H 1 4.415 0.002 . . . . . . A 11 C H4' . 25427 5 143 . 1 . 1 11 11 C H5 H 1 5.798 0.044 . . . . . . A 11 C H5 . 25427 5 144 . 1 . 1 11 11 C H5" H 1 4.338 0.025 . . . . . . A 11 C H5" . 25427 5 145 . 1 . 1 11 11 C H5' H 1 4.040 0.023 . . . . . . A 11 C H5' . 25427 5 146 . 1 . 1 11 11 C H6 H 1 7.754 0.038 . . . . . . A 11 C H6 . 25427 5 147 . 1 . 1 11 11 C C1' C 13 90.769 0.193 . . . . . . A 11 C C1' . 25427 5 148 . 1 . 1 11 11 C C3' C 13 75.897 0.051 . . . . . . A 11 C C3' . 25427 5 149 . 1 . 1 11 11 C C4' C 13 84.065 0.002 . . . . . . A 11 C C4' . 25427 5 150 . 1 . 1 11 11 C C5 C 13 98.952 0.064 . . . . . . A 11 C C5 . 25427 5 151 . 1 . 1 11 11 C C5' C 13 66.631 0.000 . . . . . . A 11 C C5' . 25427 5 152 . 1 . 1 11 11 C C6 C 13 142.958 0.007 . . . . . . A 11 C C6 . 25427 5 153 . 1 . 1 12 12 C H1' H 1 5.623 0.004 . . . . . . A 12 C H1' . 25427 5 154 . 1 . 1 12 12 C H2' H 1 4.491 0.005 . . . . . . A 12 C H2' . 25427 5 155 . 1 . 1 12 12 C H3' H 1 4.093 0.003 . . . . . . A 12 C H3' . 25427 5 156 . 1 . 1 12 12 C H4' H 1 4.485 0.061 . . . . . . A 12 C H4' . 25427 5 157 . 1 . 1 12 12 C H5 H 1 5.402 0.292 . . . . . . A 12 C H5 . 25427 5 158 . 1 . 1 12 12 C H5" H 1 4.471 0.000 . . . . . . A 12 C H5" . 25427 5 159 . 1 . 1 12 12 C H5' H 1 4.277 0.010 . . . . . . A 12 C H5' . 25427 5 160 . 1 . 1 12 12 C H6 H 1 7.751 0.041 . . . . . . A 12 C H6 . 25427 5 161 . 1 . 1 12 12 C C1' C 13 94.399 0.085 . . . . . . A 12 C C1' . 25427 5 162 . 1 . 1 12 12 C C2' C 13 75.518 0.041 . . . . . . A 12 C C2' . 25427 5 163 . 1 . 1 12 12 C C3' C 13 73.071 0.024 . . . . . . A 12 C C3' . 25427 5 164 . 1 . 1 12 12 C C4' C 13 82.943 0.058 . . . . . . A 12 C C4' . 25427 5 165 . 1 . 1 12 12 C C5 C 13 97.991 0.453 . . . . . . A 12 C C5 . 25427 5 166 . 1 . 1 12 12 C C6 C 13 142.244 0.009 . . . . . . A 12 C C6 . 25427 5 167 . 1 . 1 13 13 U H1' H 1 5.725 0.036 . . . . . . A 13 U H1' . 25427 5 168 . 1 . 1 13 13 U H2' H 1 4.202 0.036 . . . . . . A 13 U H2' . 25427 5 169 . 1 . 1 13 13 U H3' H 1 4.461 0.040 . . . . . . A 13 U H3' . 25427 5 170 . 1 . 1 13 13 U H4' H 1 4.407 0.007 . . . . . . A 13 U H4' . 25427 5 171 . 1 . 1 13 13 U H5 H 1 5.517 0.041 . . . . . . A 13 U H5 . 25427 5 172 . 1 . 1 13 13 U H5" H 1 4.385 0.163 . . . . . . A 13 U H5" . 25427 5 173 . 1 . 1 13 13 U H5' H 1 4.102 0.026 . . . . . . A 13 U H5' . 25427 5 174 . 1 . 1 13 13 U H6 H 1 7.930 0.043 . . . . . . A 13 U H6 . 25427 5 175 . 1 . 1 13 13 U C1' C 13 93.269 0.067 . . . . . . A 13 U C1' . 25427 5 176 . 1 . 1 13 13 U C2' C 13 75.593 0.057 . . . . . . A 13 U C2' . 25427 5 177 . 1 . 1 13 13 U C3' C 13 71.281 0.034 . . . . . . A 13 U C3' . 25427 5 178 . 1 . 1 13 13 U C4' C 13 82.212 0.033 . . . . . . A 13 U C4' . 25427 5 179 . 1 . 1 13 13 U C5 C 13 104.810 0.021 . . . . . . A 13 U C5 . 25427 5 180 . 1 . 1 13 13 U C5' C 13 64.211 0.000 . . . . . . A 13 U C5' . 25427 5 181 . 1 . 1 13 13 U C6 C 13 140.402 0.002 . . . . . . A 13 U C6 . 25427 5 182 . 1 . 1 14 14 U H1' H 1 5.450 0.033 . . . . . . A 14 U H1' . 25427 5 183 . 1 . 1 14 14 U H2' H 1 4.776 0.240 . . . . . . A 14 U H2' . 25427 5 184 . 1 . 1 14 14 U H3' H 1 4.481 0.077 . . . . . . A 14 U H3' . 25427 5 185 . 1 . 1 14 14 U H4' H 1 4.301 0.052 . . . . . . A 14 U H4' . 25427 5 186 . 1 . 1 14 14 U H5 H 1 5.303 0.037 . . . . . . A 14 U H5 . 25427 5 187 . 1 . 1 14 14 U H5" H 1 4.525 0.005 . . . . . . A 14 U H5" . 25427 5 188 . 1 . 1 14 14 U H5' H 1 4.037 0.007 . . . . . . A 14 U H5' . 25427 5 189 . 1 . 1 14 14 U H6 H 1 7.504 0.041 . . . . . . A 14 U H6 . 25427 5 190 . 1 . 1 14 14 U C1' C 13 94.434 0.110 . . . . . . A 14 U C1' . 25427 5 191 . 1 . 1 14 14 U C2' C 13 74.290 0.029 . . . . . . A 14 U C2' . 25427 5 192 . 1 . 1 14 14 U C3' C 13 71.929 0.088 . . . . . . A 14 U C3' . 25427 5 193 . 1 . 1 14 14 U C4' C 13 81.808 0.058 . . . . . . A 14 U C4' . 25427 5 194 . 1 . 1 14 14 U C5 C 13 102.770 0.020 . . . . . . A 14 U C5 . 25427 5 195 . 1 . 1 14 14 U C6 C 13 141.814 0.015 . . . . . . A 14 U C6 . 25427 5 196 . 1 . 1 15 15 U H1' H 1 5.351 0.037 . . . . . . A 15 U H1' . 25427 5 197 . 1 . 1 15 15 U H2' H 1 4.070 0.037 . . . . . . A 15 U H2' . 25427 5 198 . 1 . 1 15 15 U H3' H 1 4.268 0.039 . . . . . . A 15 U H3' . 25427 5 199 . 1 . 1 15 15 U H4' H 1 4.185 0.005 . . . . . . A 15 U H4' . 25427 5 200 . 1 . 1 15 15 U H5 H 1 5.706 0.043 . . . . . . A 15 U H5 . 25427 5 201 . 1 . 1 15 15 U H5" H 1 4.244 0.025 . . . . . . A 15 U H5" . 25427 5 202 . 1 . 1 15 15 U H5' H 1 3.992 0.019 . . . . . . A 15 U H5' . 25427 5 203 . 1 . 1 15 15 U H6 H 1 7.678 0.040 . . . . . . A 15 U H6 . 25427 5 204 . 1 . 1 15 15 U C1' C 13 94.485 0.042 . . . . . . A 15 U C1' . 25427 5 205 . 1 . 1 15 15 U C2' C 13 75.580 0.065 . . . . . . A 15 U C2' . 25427 5 206 . 1 . 1 15 15 U C3' C 13 71.290 0.020 . . . . . . A 15 U C3' . 25427 5 207 . 1 . 1 15 15 U C4' C 13 82.466 0.015 . . . . . . A 15 U C4' . 25427 5 208 . 1 . 1 15 15 U C5 C 13 104.043 0.026 . . . . . . A 15 U C5 . 25427 5 209 . 1 . 1 15 15 U C5' C 13 63.401 0.000 . . . . . . A 15 U C5' . 25427 5 210 . 1 . 1 15 15 U C6 C 13 142.880 0.010 . . . . . . A 15 U C6 . 25427 5 211 . 1 . 1 16 16 A H1' H 1 6.295 0.036 . . . . . . A 16 A H1' . 25427 5 212 . 1 . 1 16 16 A H2 H 1 8.364 0.005 . . . . . . A 16 A H2 . 25427 5 213 . 1 . 1 16 16 A H2' H 1 4.087 0.022 . . . . . . A 16 A H2' . 25427 5 214 . 1 . 1 16 16 A H3' H 1 5.101 0.034 . . . . . . A 16 A H3' . 25427 5 215 . 1 . 1 16 16 A H4' H 1 4.265 0.004 . . . . . . A 16 A H4' . 25427 5 216 . 1 . 1 16 16 A H5" H 1 4.257 0.026 . . . . . . A 16 A H5" . 25427 5 217 . 1 . 1 16 16 A H5' H 1 4.019 0.022 . . . . . . A 16 A H5' . 25427 5 218 . 1 . 1 16 16 A H8 H 1 8.234 0.042 . . . . . . A 16 A H8 . 25427 5 219 . 1 . 1 16 16 A C1' C 13 92.904 0.022 . . . . . . A 16 A C1' . 25427 5 220 . 1 . 1 16 16 A C2 C 13 155.640 0.000 . . . . . . A 16 A C2 . 25427 5 221 . 1 . 1 16 16 A C2' C 13 76.794 0.043 . . . . . . A 16 A C2' . 25427 5 222 . 1 . 1 16 16 A C3' C 13 71.943 0.042 . . . . . . A 16 A C3' . 25427 5 223 . 1 . 1 16 16 A C4' C 13 83.333 0.058 . . . . . . A 16 A C4' . 25427 5 224 . 1 . 1 16 16 A C5' C 13 63.841 0.000 . . . . . . A 16 A C5' . 25427 5 225 . 1 . 1 16 16 A C8 C 13 142.321 0.001 . . . . . . A 16 A C8 . 25427 5 226 . 1 . 1 17 17 A H1' H 1 6.234 0.038 . . . . . . A 17 A H1' . 25427 5 227 . 1 . 1 17 17 A H2 H 1 8.215 0.002 . . . . . . A 17 A H2 . 25427 5 228 . 1 . 1 17 17 A H2' H 1 5.079 0.353 . . . . . . A 17 A H2' . 25427 5 229 . 1 . 1 17 17 A H3' H 1 5.140 0.021 . . . . . . A 17 A H3' . 25427 5 230 . 1 . 1 17 17 A H4' H 1 4.404 0.044 . . . . . . A 17 A H4' . 25427 5 231 . 1 . 1 17 17 A H5' H 1 4.143 0.021 . . . . . . A 17 A H5' . 25427 5 232 . 1 . 1 17 17 A H8 H 1 8.489 0.034 . . . . . . A 17 A H8 . 25427 5 233 . 1 . 1 17 17 A C1' C 13 87.923 0.025 . . . . . . A 17 A C1' . 25427 5 234 . 1 . 1 17 17 A C2 C 13 155.961 0.000 . . . . . . A 17 A C2 . 25427 5 235 . 1 . 1 17 17 A C2' C 13 74.263 0.012 . . . . . . A 17 A C2' . 25427 5 236 . 1 . 1 17 17 A C3' C 13 78.168 2.764 . . . . . . A 17 A C3' . 25427 5 237 . 1 . 1 17 17 A C4' C 13 84.863 0.038 . . . . . . A 17 A C4' . 25427 5 238 . 1 . 1 17 17 A C5' C 13 67.141 0.000 . . . . . . A 17 A C5' . 25427 5 239 . 1 . 1 17 17 A C8 C 13 141.436 0.012 . . . . . . A 17 A C8 . 25427 5 240 . 1 . 1 18 18 U H1' H 1 4.554 0.037 . . . . . . A 18 U H1' . 25427 5 241 . 1 . 1 18 18 U H2' H 1 4.323 0.033 . . . . . . A 18 U H2' . 25427 5 242 . 1 . 1 18 18 U H3' H 1 4.117 0.026 . . . . . . A 18 U H3' . 25427 5 243 . 1 . 1 18 18 U H4' H 1 3.280 0.005 . . . . . . A 18 U H4' . 25427 5 244 . 1 . 1 18 18 U H5 H 1 5.894 0.043 . . . . . . A 18 U H5 . 25427 5 245 . 1 . 1 18 18 U H5" H 1 4.073 0.005 . . . . . . A 18 U H5" . 25427 5 246 . 1 . 1 18 18 U H5' H 1 4.034 0.061 . . . . . . A 18 U H5' . 25427 5 247 . 1 . 1 18 18 U H6 H 1 7.192 0.037 . . . . . . A 18 U H6 . 25427 5 248 . 1 . 1 18 18 U C1' C 13 93.172 0.025 . . . . . . A 18 U C1' . 25427 5 249 . 1 . 1 18 18 U C2' C 13 74.650 0.032 . . . . . . A 18 U C2' . 25427 5 250 . 1 . 1 18 18 U C3' C 13 71.103 0.046 . . . . . . A 18 U C3' . 25427 5 251 . 1 . 1 18 18 U C4' C 13 81.160 0.000 . . . . . . A 18 U C4' . 25427 5 252 . 1 . 1 18 18 U C5 C 13 106.470 0.020 . . . . . . A 18 U C5 . 25427 5 253 . 1 . 1 18 18 U C6 C 13 139.979 0.005 . . . . . . A 18 U C6 . 25427 5 254 . 1 . 1 19 19 G H1' H 1 5.906 0.005 . . . . . . A 19 G H1' . 25427 5 255 . 1 . 1 19 19 G H2' H 1 4.921 0.003 . . . . . . A 19 G H2' . 25427 5 256 . 1 . 1 19 19 G H3' H 1 4.598 0.306 . . . . . . A 19 G H3' . 25427 5 257 . 1 . 1 19 19 G H4' H 1 4.398 0.004 . . . . . . A 19 G H4' . 25427 5 258 . 1 . 1 19 19 G H5" H 1 4.108 0.005 . . . . . . A 19 G H5" . 25427 5 259 . 1 . 1 19 19 G H5' H 1 4.220 0.000 . . . . . . A 19 G H5' . 25427 5 260 . 1 . 1 19 19 G H8 H 1 7.550 0.030 . . . . . . A 19 G H8 . 25427 5 261 . 1 . 1 19 19 G C1' C 13 91.710 0.075 . . . . . . A 19 G C1' . 25427 5 262 . 1 . 1 19 19 G C2' C 13 76.149 0.027 . . . . . . A 19 G C2' . 25427 5 263 . 1 . 1 19 19 G C3' C 13 72.174 0.090 . . . . . . A 19 G C3' . 25427 5 264 . 1 . 1 19 19 G C4' C 13 81.247 0.033 . . . . . . A 19 G C4' . 25427 5 265 . 1 . 1 19 19 G C8 C 13 136.587 0.021 . . . . . . A 19 G C8 . 25427 5 266 . 1 . 1 20 20 G H1' H 1 5.402 0.038 . . . . . . A 20 G H1' . 25427 5 267 . 1 . 1 20 20 G H2' H 1 4.500 0.159 . . . . . . A 20 G H2' . 25427 5 268 . 1 . 1 20 20 G H3' H 1 4.088 0.072 . . . . . . A 20 G H3' . 25427 5 269 . 1 . 1 20 20 G H4' H 1 4.570 0.007 . . . . . . A 20 G H4' . 25427 5 270 . 1 . 1 20 20 G H5" H 1 4.249 0.029 . . . . . . A 20 G H5" . 25427 5 271 . 1 . 1 20 20 G H5' H 1 4.146 0.093 . . . . . . A 20 G H5' . 25427 5 272 . 1 . 1 20 20 G H8 H 1 7.206 0.036 . . . . . . A 20 G H8 . 25427 5 273 . 1 . 1 20 20 G C1' C 13 93.252 0.069 . . . . . . A 20 G C1' . 25427 5 274 . 1 . 1 20 20 G C2' C 13 75.581 0.401 . . . . . . A 20 G C2' . 25427 5 275 . 1 . 1 20 20 G C3' C 13 74.013 0.041 . . . . . . A 20 G C3' . 25427 5 276 . 1 . 1 20 20 G C4' C 13 82.649 0.138 . . . . . . A 20 G C4' . 25427 5 277 . 1 . 1 20 20 G C5' C 13 69.111 0.000 . . . . . . A 20 G C5' . 25427 5 278 . 1 . 1 20 20 G C8 C 13 137.109 0.008 . . . . . . A 20 G C8 . 25427 5 279 . 1 . 1 21 21 U H1' H 1 5.577 0.040 . . . . . . A 21 U H1' . 25427 5 280 . 1 . 1 21 21 U H2' H 1 4.561 0.004 . . . . . . A 21 U H2' . 25427 5 281 . 1 . 1 21 21 U H3' H 1 4.371 0.038 . . . . . . A 21 U H3' . 25427 5 282 . 1 . 1 21 21 U H4' H 1 4.305 0.152 . . . . . . A 21 U H4' . 25427 5 283 . 1 . 1 21 21 U H5 H 1 5.193 0.038 . . . . . . A 21 U H5 . 25427 5 284 . 1 . 1 21 21 U H5" H 1 4.664 0.027 . . . . . . A 21 U H5" . 25427 5 285 . 1 . 1 21 21 U H5' H 1 4.139 0.085 . . . . . . A 21 U H5' . 25427 5 286 . 1 . 1 21 21 U H6 H 1 7.532 0.032 . . . . . . A 21 U H6 . 25427 5 287 . 1 . 1 21 21 U C1' C 13 93.749 0.111 . . . . . . A 21 U C1' . 25427 5 288 . 1 . 1 21 21 U C2' C 13 75.124 0.086 . . . . . . A 21 U C2' . 25427 5 289 . 1 . 1 21 21 U C3' C 13 71.941 0.057 . . . . . . A 21 U C3' . 25427 5 290 . 1 . 1 21 21 U C5 C 13 102.270 0.095 . . . . . . A 21 U C5 . 25427 5 291 . 1 . 1 21 21 U C5' C 13 63.871 0.000 . . . . . . A 21 U C5' . 25427 5 292 . 1 . 1 21 21 U C6 C 13 142.510 0.011 . . . . . . A 21 U C6 . 25427 5 293 . 1 . 1 22 22 C H1' H 1 5.592 0.004 . . . . . . A 22 C H1' . 25427 5 294 . 1 . 1 22 22 C H2' H 1 4.487 0.006 . . . . . . A 22 C H2' . 25427 5 295 . 1 . 1 22 22 C H3' H 1 4.460 0.006 . . . . . . A 22 C H3' . 25427 5 296 . 1 . 1 22 22 C H4' H 1 4.434 0.003 . . . . . . A 22 C H4' . 25427 5 297 . 1 . 1 22 22 C H5 H 1 5.900 0.042 . . . . . . A 22 C H5 . 25427 5 298 . 1 . 1 22 22 C H5" H 1 4.519 0.030 . . . . . . A 22 C H5" . 25427 5 299 . 1 . 1 22 22 C H5' H 1 4.167 0.029 . . . . . . A 22 C H5' . 25427 5 300 . 1 . 1 22 22 C H6 H 1 8.119 0.037 . . . . . . A 22 C H6 . 25427 5 301 . 1 . 1 22 22 C C1' C 13 93.339 0.051 . . . . . . A 22 C C1' . 25427 5 302 . 1 . 1 22 22 C C2' C 13 75.778 0.038 . . . . . . A 22 C C2' . 25427 5 303 . 1 . 1 22 22 C C3' C 13 71.953 0.045 . . . . . . A 22 C C3' . 25427 5 304 . 1 . 1 22 22 C C4' C 13 82.118 0.055 . . . . . . A 22 C C4' . 25427 5 305 . 1 . 1 22 22 C C5 C 13 98.671 0.016 . . . . . . A 22 C C5 . 25427 5 306 . 1 . 1 22 22 C C5' C 13 64.381 0.000 . . . . . . A 22 C C5' . 25427 5 307 . 1 . 1 22 22 C C6 C 13 141.219 0.006 . . . . . . A 22 C C6 . 25427 5 308 . 1 . 1 23 23 C H1' H 1 5.545 0.032 . . . . . . A 23 C H1' . 25427 5 309 . 1 . 1 23 23 C H2' H 1 4.301 0.036 . . . . . . A 23 C H2' . 25427 5 310 . 1 . 1 23 23 C H3' H 1 4.651 0.038 . . . . . . A 23 C H3' . 25427 5 311 . 1 . 1 23 23 C H4' H 1 4.400 0.007 . . . . . . A 23 C H4' . 25427 5 312 . 1 . 1 23 23 C H5 H 1 5.734 0.037 . . . . . . A 23 C H5 . 25427 5 313 . 1 . 1 23 23 C H5" H 1 4.585 0.005 . . . . . . A 23 C H5" . 25427 5 314 . 1 . 1 23 23 C H5' H 1 4.153 0.008 . . . . . . A 23 C H5' . 25427 5 315 . 1 . 1 23 23 C H6 H 1 8.041 0.040 . . . . . . A 23 C H6 . 25427 5 316 . 1 . 1 23 23 C C1' C 13 93.425 0.116 . . . . . . A 23 C C1' . 25427 5 317 . 1 . 1 23 23 C C2' C 13 75.060 0.000 . . . . . . A 23 C C2' . 25427 5 318 . 1 . 1 23 23 C C3' C 13 71.926 0.055 . . . . . . A 23 C C3' . 25427 5 319 . 1 . 1 23 23 C C4' C 13 81.796 0.069 . . . . . . A 23 C C4' . 25427 5 320 . 1 . 1 23 23 C C5 C 13 98.971 0.005 . . . . . . A 23 C C5 . 25427 5 321 . 1 . 1 23 23 C C6 C 13 140.270 0.004 . . . . . . A 23 C C6 . 25427 5 322 . 1 . 1 24 24 A H1' H 1 5.862 0.035 . . . . . . A 24 A H1' . 25427 5 323 . 1 . 1 24 24 A H2 H 1 7.261 0.038 . . . . . . A 24 A H2 . 25427 5 324 . 1 . 1 24 24 A H2' H 1 4.713 0.007 . . . . . . A 24 A H2' . 25427 5 325 . 1 . 1 24 24 A H3' H 1 4.820 0.004 . . . . . . A 24 A H3' . 25427 5 326 . 1 . 1 24 24 A H4' H 1 4.480 0.005 . . . . . . A 24 A H4' . 25427 5 327 . 1 . 1 24 24 A H5" H 1 4.613 0.021 . . . . . . A 24 A H5" . 25427 5 328 . 1 . 1 24 24 A H5' H 1 4.177 0.020 . . . . . . A 24 A H5' . 25427 5 329 . 1 . 1 24 24 A H8 H 1 8.194 0.032 . . . . . . A 24 A H8 . 25427 5 330 . 1 . 1 24 24 A C1' C 13 92.057 0.126 . . . . . . A 24 A C1' . 25427 5 331 . 1 . 1 24 24 A C2 C 13 152.577 0.000 . . . . . . A 24 A C2 . 25427 5 332 . 1 . 1 24 24 A C2' C 13 75.797 0.043 . . . . . . A 24 A C2' . 25427 5 333 . 1 . 1 24 24 A C3' C 13 72.367 0.081 . . . . . . A 24 A C3' . 25427 5 334 . 1 . 1 24 24 A C4' C 13 81.583 0.018 . . . . . . A 24 A C4' . 25427 5 335 . 1 . 1 24 24 A C5' C 13 64.431 0.000 . . . . . . A 24 A C5' . 25427 5 336 . 1 . 1 24 24 A C8 C 13 139.456 0.000 . . . . . . A 24 A C8 . 25427 5 337 . 1 . 1 25 25 G H1' H 1 5.436 0.037 . . . . . . A 25 G H1' . 25427 5 338 . 1 . 1 25 25 G H2' H 1 4.471 0.041 . . . . . . A 25 G H2' . 25427 5 339 . 1 . 1 25 25 G H3' H 1 4.237 0.035 . . . . . . A 25 G H3' . 25427 5 340 . 1 . 1 25 25 G H4' H 1 4.438 0.004 . . . . . . A 25 G H4' . 25427 5 341 . 1 . 1 25 25 G H5" H 1 4.429 0.025 . . . . . . A 25 G H5" . 25427 5 342 . 1 . 1 25 25 G H5' H 1 4.063 0.022 . . . . . . A 25 G H5' . 25427 5 343 . 1 . 1 25 25 G H8 H 1 7.076 0.033 . . . . . . A 25 G H8 . 25427 5 344 . 1 . 1 25 25 G C1' C 13 92.596 0.019 . . . . . . A 25 G C1' . 25427 5 345 . 1 . 1 25 25 G C2' C 13 75.107 0.074 . . . . . . A 25 G C2' . 25427 5 346 . 1 . 1 25 25 G C3' C 13 72.681 0.059 . . . . . . A 25 G C3' . 25427 5 347 . 1 . 1 25 25 G C4' C 13 81.895 0.034 . . . . . . A 25 G C4' . 25427 5 348 . 1 . 1 25 25 G C5' C 13 65.629 0.000 . . . . . . A 25 G C5' . 25427 5 349 . 1 . 1 25 25 G C8 C 13 135.256 0.014 . . . . . . A 25 G C8 . 25427 5 350 . 1 . 1 26 26 U H1' H 1 5.472 0.035 . . . . . . A 26 U H1' . 25427 5 351 . 1 . 1 26 26 U H2' H 1 4.058 0.039 . . . . . . A 26 U H2' . 25427 5 352 . 1 . 1 26 26 U H3' H 1 4.493 0.034 . . . . . . A 26 U H3' . 25427 5 353 . 1 . 1 26 26 U H4' H 1 4.370 0.005 . . . . . . A 26 U H4' . 25427 5 354 . 1 . 1 26 26 U H5 H 1 5.353 0.041 . . . . . . A 26 U H5 . 25427 5 355 . 1 . 1 26 26 U H5" H 1 4.474 0.027 . . . . . . A 26 U H5" . 25427 5 356 . 1 . 1 26 26 U H5' H 1 4.028 0.028 . . . . . . A 26 U H5' . 25427 5 357 . 1 . 1 26 26 U H6 H 1 7.687 0.037 . . . . . . A 26 U H6 . 25427 5 358 . 1 . 1 26 26 U C1' C 13 94.250 0.016 . . . . . . A 26 U C1' . 25427 5 359 . 1 . 1 26 26 U C2' C 13 75.592 0.059 . . . . . . A 26 U C2' . 25427 5 360 . 1 . 1 26 26 U C3' C 13 71.924 0.065 . . . . . . A 26 U C3' . 25427 5 361 . 1 . 1 26 26 U C4' C 13 82.515 0.026 . . . . . . A 26 U C4' . 25427 5 362 . 1 . 1 26 26 U C5 C 13 104.050 0.027 . . . . . . A 26 U C5 . 25427 5 363 . 1 . 1 26 26 U C5' C 13 64.781 0.000 . . . . . . A 26 U C5' . 25427 5 364 . 1 . 1 26 26 U C6 C 13 140.526 0.012 . . . . . . A 26 U C6 . 25427 5 365 . 1 . 1 27 27 C H1' H 1 6.228 0.016 . . . . . . A 27 C H1' . 25427 5 366 . 1 . 1 27 27 C H2' H 1 4.703 0.006 . . . . . . A 27 C H2' . 25427 5 367 . 1 . 1 27 27 C H3' H 1 5.026 0.003 . . . . . . A 27 C H3' . 25427 5 368 . 1 . 1 27 27 C H4' H 1 4.397 0.004 . . . . . . A 27 C H4' . 25427 5 369 . 1 . 1 27 27 C H5 H 1 5.677 0.042 . . . . . . A 27 C H5 . 25427 5 370 . 1 . 1 27 27 C H5" H 1 4.589 0.021 . . . . . . A 27 C H5" . 25427 5 371 . 1 . 1 27 27 C H5' H 1 4.114 0.019 . . . . . . A 27 C H5' . 25427 5 372 . 1 . 1 27 27 C H6 H 1 7.557 0.037 . . . . . . A 27 C H6 . 25427 5 373 . 1 . 1 27 27 C C1' C 13 91.562 0.022 . . . . . . A 27 C C1' . 25427 5 374 . 1 . 1 27 27 C C2' C 13 84.888 0.039 . . . . . . A 27 C C2' . 25427 5 375 . 1 . 1 27 27 C C3' C 13 77.863 0.010 . . . . . . A 27 C C3' . 25427 5 376 . 1 . 1 27 27 C C4' C 13 85.066 0.119 . . . . . . A 27 C C4' . 25427 5 377 . 1 . 1 27 27 C C5 C 13 98.976 0.011 . . . . . . A 27 C C5 . 25427 5 378 . 1 . 1 27 27 C C5' C 13 65.619 0.000 . . . . . . A 27 C C5' . 25427 5 379 . 1 . 1 27 27 C C6 C 13 143.067 0.003 . . . . . . A 27 C C6 . 25427 5 stop_ save_