################################### # 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 18656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 18656 1 7 '2D 1H-1H TOCSY 14ms' . . . 18656 1 11 '2D 1H-1H NOESY 400 ms' . . . 18656 1 12 '2D 1H-31P HETCOR' . . . 18656 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.815 0.001 19 1 . . . A 1 G H1' . 18656 1 2 . 1 1 1 1 G H2' H 1 4.826 0.001 17 1 . . . A 1 G H2' . 18656 1 3 . 1 1 1 1 G H3' H 1 4.598 0.003 11 1 . . . A 1 G H3' . 18656 1 4 . 1 1 1 1 G H4' H 1 4.400 0.002 11 1 . . . A 1 G H4' . 18656 1 5 . 1 1 1 1 G H5' H 1 4.076 0.006 7 2 . . . A 1 G H5' . 18656 1 6 . 1 1 1 1 G H5'' H 1 3.931 0.005 7 2 . . . A 1 G H5'' . 18656 1 7 . 1 1 1 1 G H8 H 1 8.080 0.001 13 1 . . . A 1 G H8 . 18656 1 8 . 1 1 1 1 G C8 C 13 138.693 0.200 1 1 . . . A 1 G C8 . 18656 1 9 . 1 1 2 2 A H1' H 1 5.911 0.001 22 1 . . . A 2 A H1' . 18656 1 10 . 1 1 2 2 A H2 H 1 7.553 0.002 11 1 . . . A 2 A H2 . 18656 1 11 . 1 1 2 2 A H2' H 1 4.597 0.003 12 1 . . . A 2 A H2' . 18656 1 12 . 1 1 2 2 A H3' H 1 4.557 0.002 10 1 . . . A 2 A H3' . 18656 1 13 . 1 1 2 2 A H4' H 1 4.471 0.003 12 1 . . . A 2 A H4' . 18656 1 14 . 1 1 2 2 A H5' H 1 4.582 0.002 3 2 . . . A 2 A H5' . 18656 1 15 . 1 1 2 2 A H5'' H 1 4.115 0.003 5 2 . . . A 2 A H5'' . 18656 1 16 . 1 1 2 2 A H8 H 1 7.938 0.001 16 1 . . . A 2 A H8 . 18656 1 17 . 1 1 2 2 A C2 C 13 153.541 0.200 1 1 . . . A 2 A C2 . 18656 1 18 . 1 1 2 2 A C8 C 13 139.429 0.200 1 1 . . . A 2 A C8 . 18656 1 19 . 1 1 2 2 A P P 31 -4.029 0.020 1 1 . . . A 2 A P . 18656 1 20 . 1 1 3 3 C H1' H 1 5.001 0.010 1 1 . . . A 3 C H1' . 18656 1 21 . 1 1 3 3 C H2' H 1 3.981 0.001 7 1 . . . A 3 C H2' . 18656 1 22 . 1 1 3 3 C H3' H 1 4.262 0.003 7 1 . . . A 3 C H3' . 18656 1 23 . 1 1 3 3 C H4' H 1 4.165 0.004 8 1 . . . A 3 C H4' . 18656 1 24 . 1 1 3 3 C H5 H 1 4.955 0.002 8 1 . . . A 3 C H5 . 18656 1 25 . 1 1 3 3 C H5' H 1 4.424 0.010 4 2 . . . A 3 C H5' . 18656 1 26 . 1 1 3 3 C H5'' H 1 3.873 0.003 5 2 . . . A 3 C H5'' . 18656 1 27 . 1 1 3 3 C H6 H 1 7.112 0.003 25 1 . . . A 3 C H6 . 18656 1 28 . 1 1 3 3 C C6 C 13 139.764 0.200 1 1 . . . A 3 C C6 . 18656 1 29 . 1 1 3 3 C P P 31 -4.029 0.020 1 1 . . . A 3 C P . 18656 1 30 . 1 1 4 4 G H1' H 1 5.626 0.003 18 1 . . . A 4 G H1' . 18656 1 31 . 1 1 4 4 G H2' H 1 4.922 0.002 25 1 . . . A 4 G H2' . 18656 1 32 . 1 1 4 4 G H3' H 1 4.263 0.003 15 1 . . . A 4 G H3' . 18656 1 33 . 1 1 4 4 G H4' H 1 4.277 0.001 12 1 . . . A 4 G H4' . 18656 1 34 . 1 1 4 4 G H5' H 1 4.367 0.003 2 2 . . . A 4 G H5' . 18656 1 35 . 1 1 4 4 G H5'' H 1 3.865 0.001 7 2 . . . A 4 G H5'' . 18656 1 36 . 1 1 4 4 G H8 H 1 7.548 0.002 24 1 . . . A 4 G H8 . 18656 1 37 . 1 1 4 4 G C8 C 13 143.205 0.200 1 1 . . . A 4 G C8 . 18656 1 38 . 1 1 4 4 G P P 31 -4.558 0.020 1 1 . . . A 4 G P . 18656 1 39 . 1 1 5 5 A H1' H 1 5.736 0.002 23 1 . . . A 5 A H1' . 18656 1 40 . 1 1 5 5 A H2 H 1 7.653 0.002 12 1 . . . A 5 A H2 . 18656 1 41 . 1 1 5 5 A H2' H 1 4.040 0.002 23 1 . . . A 5 A H2' . 18656 1 42 . 1 1 5 5 A H3' H 1 4.549 0.003 15 1 . . . A 5 A H3' . 18656 1 43 . 1 1 5 5 A H4' H 1 3.865 0.001 17 1 . . . A 5 A H4' . 18656 1 44 . 1 1 5 5 A H5' H 1 2.854 0.002 8 2 . . . A 5 A H5' . 18656 1 45 . 1 1 5 5 A H5'' H 1 3.652 0.003 8 2 . . . A 5 A H5'' . 18656 1 46 . 1 1 5 5 A H8 H 1 7.583 0.001 27 1 . . . A 5 A H8 . 18656 1 47 . 1 1 5 5 A C2 C 13 153.596 0.200 1 1 . . . A 5 A C2 . 18656 1 48 . 1 1 5 5 A C8 C 13 140.118 0.200 1 1 . . . A 5 A C8 . 18656 1 49 . 1 1 5 5 A P P 31 -2.583 0.020 1 1 . . . A 5 A P . 18656 1 50 . 1 1 6 6 G H1' H 1 5.926 0.002 27 1 . . . A 6 G H1' . 18656 1 51 . 1 1 6 6 G H2' H 1 6.140 0.002 31 1 . . . A 6 G H2' . 18656 1 52 . 1 1 6 6 G H3' H 1 4.832 0.002 17 1 . . . A 6 G H3' . 18656 1 53 . 1 1 6 6 G H4' H 1 4.536 0.002 14 1 . . . A 6 G H4' . 18656 1 54 . 1 1 6 6 G H5' H 1 4.138 0.004 10 2 . . . A 6 G H5' . 18656 1 55 . 1 1 6 6 G H5'' H 1 4.072 0.003 11 2 . . . A 6 G H5'' . 18656 1 56 . 1 1 6 6 G P P 31 -4.249 0.020 1 1 . . . A 6 G P . 18656 1 57 . 1 1 7 7 U H1' H 1 6.229 0.002 23 1 . . . A 7 U H1' . 18656 1 58 . 1 1 7 7 U H2' H 1 4.568 0.003 20 1 . . . A 7 U H2' . 18656 1 59 . 1 1 7 7 U H3' H 1 5.128 0.002 27 1 . . . A 7 U H3' . 18656 1 60 . 1 1 7 7 U H4' H 1 4.582 0.002 12 1 . . . A 7 U H4' . 18656 1 61 . 1 1 7 7 U H5 H 1 5.989 0.002 9 1 . . . A 7 U H5 . 18656 1 62 . 1 1 7 7 U H5' H 1 4.423 0.002 6 2 . . . A 7 U H5' . 18656 1 63 . 1 1 7 7 U H5'' H 1 4.243 0.002 9 2 . . . A 7 U H5'' . 18656 1 64 . 1 1 7 7 U H6 H 1 8.120 0.002 16 1 . . . A 7 U H6 . 18656 1 65 . 1 1 7 7 U C6 C 13 144.283 0.200 1 1 . . . A 7 U C6 . 18656 1 66 . 1 1 7 7 U P P 31 -3.207 0.020 1 1 . . . A 7 U P . 18656 1 67 . 1 1 8 8 G H1' H 1 5.196 0.001 18 1 . . . A 8 G H1' . 18656 1 68 . 1 1 8 8 G H2' H 1 4.363 0.001 9 1 . . . A 8 G H2' . 18656 1 69 . 1 1 8 8 G H3' H 1 4.566 0.001 8 1 . . . A 8 G H3' . 18656 1 70 . 1 1 8 8 G H4' H 1 4.402 0.004 7 1 . . . A 8 G H4' . 18656 1 71 . 1 1 8 8 G H5' H 1 4.523 0.001 6 2 . . . A 8 G H5' . 18656 1 72 . 1 1 8 8 G H5'' H 1 4.204 0.002 6 2 . . . A 8 G H5'' . 18656 1 73 . 1 1 8 8 G H8 H 1 7.785 0.002 20 1 . . . A 8 G H8 . 18656 1 74 . 1 1 8 8 G C8 C 13 138.058 0.200 1 1 . . . A 8 G C8 . 18656 1 75 . 1 1 8 8 G P P 31 -3.787 0.020 1 1 . . . A 8 G P . 18656 1 76 . 1 1 9 9 U H1' H 1 5.438 0.001 13 1 . . . A 9 U H1' . 18656 1 77 . 1 1 9 9 U H2' H 1 4.406 0.003 9 1 . . . A 9 U H2' . 18656 1 78 . 1 1 9 9 U H3' H 1 4.477 0.003 10 1 . . . A 9 U H3' . 18656 1 79 . 1 1 9 9 U H4' H 1 4.373 0.008 6 1 . . . A 9 U H4' . 18656 1 80 . 1 1 9 9 U H5 H 1 5.138 0.003 13 1 . . . A 9 U H5 . 18656 1 81 . 1 1 9 9 U H5' H 1 4.563 0.010 3 2 . . . A 9 U H5' . 18656 1 82 . 1 1 9 9 U H5'' H 1 4.033 0.004 4 2 . . . A 9 U H5'' . 18656 1 83 . 1 1 9 9 U H6 H 1 7.853 0.004 20 1 . . . A 9 U H6 . 18656 1 84 . 1 1 9 9 U C6 C 13 141.946 0.200 1 1 . . . A 9 U C6 . 18656 1 85 . 1 1 9 9 U P P 31 -5.001 0.020 1 1 . . . A 9 U P . 18656 1 86 . 1 1 10 10 C H1' H 1 5.458 0.001 19 1 . . . A 10 C H1' . 18656 1 87 . 1 1 10 10 C H2' H 1 4.358 0.002 9 1 . . . A 10 C H2' . 18656 1 88 . 1 1 10 10 C H3' H 1 4.420 0.004 8 1 . . . A 10 C H3' . 18656 1 89 . 1 1 10 10 C H4' H 1 4.348 0.005 5 1 . . . A 10 C H4' . 18656 1 90 . 1 1 10 10 C H5 H 1 5.539 0.002 20 1 . . . A 10 C H5 . 18656 1 91 . 1 1 10 10 C H5' H 1 4.460 0.002 7 2 . . . A 10 C H5' . 18656 1 92 . 1 1 10 10 C H5'' H 1 4.031 0.002 6 2 . . . A 10 C H5'' . 18656 1 93 . 1 1 10 10 C H6 H 1 7.678 0.002 20 1 . . . A 10 C H6 . 18656 1 94 . 1 1 10 10 C C6 C 13 140.660 0.200 1 1 . . . A 10 C C6 . 18656 1 95 . 1 1 10 10 C P P 31 -3.899 0.020 1 1 . . . A 10 C P . 18656 1 96 . 1 1 11 11 A H1' H 1 5.882 0.002 19 1 . . . A 11 A H1' . 18656 1 97 . 1 1 11 11 A H2 H 1 7.241 0.001 12 1 . . . A 11 A H2 . 18656 1 98 . 1 1 11 11 A H2' H 1 3.969 0.002 16 1 . . . A 11 A H2' . 18656 1 99 . 1 1 11 11 A H3' H 1 4.252 0.002 11 1 . . . A 11 A H3' . 18656 1 100 . 1 1 11 11 A H4' H 1 4.165 0.002 13 1 . . . A 11 A H4' . 18656 1 101 . 1 1 11 11 A H5' H 1 4.425 0.003 3 2 . . . A 11 A H5' . 18656 1 102 . 1 1 11 11 A H5'' H 1 3.994 0.001 4 2 . . . A 11 A H5'' . 18656 1 103 . 1 1 11 11 A H8 H 1 7.972 0.001 14 1 . . . A 11 A H8 . 18656 1 104 . 1 1 11 11 A C2 C 13 154.086 0.200 1 1 . . . A 11 A C2 . 18656 1 105 . 1 1 11 11 A C8 C 13 139.960 0.200 1 1 . . . A 11 A C8 . 18656 1 106 . 1 1 11 11 A P P 31 -3.790 0.020 1 1 . . . A 11 A P . 18656 1 107 . 2 1 1 1 G H1 H 1 11.925 0.002 53 1 . . . A 1 G H1 . 18656 1 108 . 2 1 1 1 G H21 H 1 6.141 0.050 3 1 . . . A 1 G H21 . 18656 1 109 . 2 1 1 1 G H22 H 1 7.771 0.005 6 1 . . . A 1 G H22 . 18656 1 110 . 2 1 1 1 G HO2' H 1 7.048 0.008 3 1 . . . A 1 G HO2' . 18656 1 111 . 2 1 2 2 A H61 H 1 8.016 0.003 6 1 . . . A 2 A H61 . 18656 1 112 . 2 1 2 2 A H62 H 1 6.564 0.001 6 1 . . . A 2 A H62 . 18656 1 113 . 2 1 2 2 A HO2' H 1 6.903 0.001 3 1 . . . A 2 A HO2' . 18656 1 114 . 2 1 3 3 C H41 H 1 8.070 0.004 18 1 . . . A 3 C H41 . 18656 1 115 . 2 1 3 3 C H42 H 1 6.803 0.003 21 1 . . . A 3 C H42 . 18656 1 116 . 2 1 3 3 C HO2' H 1 6.521 0.001 3 1 . . . A 3 C HO2' . 18656 1 117 . 2 1 4 4 G H1 H 1 10.277 0.002 36 1 . . . A 4 G H1 . 18656 1 118 . 2 1 6 6 G H1 H 1 13.320 0.002 49 1 . . . A 6 G H1 . 18656 1 119 . 2 1 8 8 G H1 H 1 12.976 0.002 48 1 . . . A 8 G H1 . 18656 1 120 . 2 1 8 8 G H21 H 1 5.966 0.050 1 1 . . . A 8 G H21 . 18656 1 121 . 2 1 8 8 G H22 H 1 8.020 0.019 3 1 . . . A 8 G H22 . 18656 1 122 . 2 1 8 8 G HO2' H 1 6.905 0.003 4 1 . . . A 8 G HO2' . 18656 1 123 . 2 1 9 9 U H3 H 1 14.492 0.002 61 1 . . . A 9 U H3 . 18656 1 124 . 2 1 9 9 U HO2' H 1 6.960 0.001 3 1 . . . A 9 U HO2' . 18656 1 125 . 2 1 10 10 C H41 H 1 8.139 0.002 15 1 . . . A 10 C H41 . 18656 1 126 . 2 1 10 10 C H42 H 1 7.015 0.002 19 1 . . . A 10 C H42 . 18656 1 127 . 2 1 10 10 C HO2' H 1 6.750 0.003 7 1 . . . A 10 C HO2' . 18656 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 18656 _Assigned_chem_shift_list.ID 2 _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 2 '2D 1H-15N HSQC' . . . 18656 2 3 '2D 1H-1H TOCSY 30 ms' . . . 18656 2 5 '2D 1H-1H NOESY 150 ms' . . . 18656 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.840 0.001 13 1 . . . A 1 G H1' . 18656 2 2 . 1 1 1 1 G H2' H 1 4.871 0.010 4 1 . . . A 1 G H2' . 18656 2 3 . 1 1 1 1 G H8 H 1 8.107 0.001 10 1 . . . A 1 G H8 . 18656 2 4 . 1 1 2 2 A H1' H 1 5.944 0.002 10 1 . . . A 2 A H1' . 18656 2 5 . 1 1 2 2 A H2 H 1 7.576 0.001 17 1 . . . A 2 A H2 . 18656 2 6 . 1 1 2 2 A H2' H 1 4.602 0.001 3 1 . . . A 2 A H2' . 18656 2 7 . 1 1 2 2 A H8 H 1 7.954 0.001 17 1 . . . A 2 A H8 . 18656 2 8 . 1 1 3 3 C H1' H 1 5.057 0.001 13 1 . . . A 3 C H1' . 18656 2 9 . 1 1 3 3 C H2' H 1 3.999 0.001 3 1 . . . A 3 C H2' . 18656 2 10 . 1 1 3 3 C H5 H 1 4.977 0.002 7 1 . . . A 3 C H5 . 18656 2 11 . 1 1 3 3 C H6 H 1 7.164 0.002 22 1 . . . A 3 C H6 . 18656 2 12 . 1 1 4 4 G H1' H 1 5.661 0.002 12 1 . . . A 4 G H1' . 18656 2 13 . 1 1 4 4 G H2' H 1 4.997 0.010 3 1 . . . A 4 G H2' . 18656 2 14 . 1 1 4 4 G H8 H 1 7.622 0.001 21 1 . . . A 4 G H8 . 18656 2 15 . 1 1 5 5 A H1' H 1 5.726 0.001 20 1 . . . A 5 A H1' . 18656 2 16 . 1 1 5 5 A H2 H 1 7.678 0.002 19 1 . . . A 5 A H2 . 18656 2 17 . 1 1 5 5 A H2' H 1 4.037 0.001 5 1 . . . A 5 A H2' . 18656 2 18 . 1 1 5 5 A H3' H 1 4.557 0.001 2 1 . . . A 5 A H3' . 18656 2 19 . 1 1 5 5 A H4' H 1 3.920 0.001 4 1 . . . A 5 A H4' . 18656 2 20 . 1 1 5 5 A H5' H 1 2.803 0.001 5 2 . . . A 5 A H5' . 18656 2 21 . 1 1 5 5 A H5'' H 1 3.629 0.001 5 2 . . . A 5 A H5'' . 18656 2 22 . 1 1 5 5 A H8 H 1 7.597 0.001 18 1 . . . A 5 A H8 . 18656 2 23 . 1 1 6 6 G H1' H 1 5.887 0.002 18 1 . . . A 6 G H1' . 18656 2 24 . 1 1 6 6 G H2' H 1 5.676 0.002 13 1 . . . A 6 G H2' . 18656 2 25 . 1 1 6 6 G H3' H 1 4.895 0.010 4 1 . . . A 6 G H3' . 18656 2 26 . 1 1 6 6 G H4' H 1 4.513 0.010 2 1 . . . A 6 G H4' . 18656 2 27 . 1 1 6 6 G H8 H 1 7.817 0.001 25 1 . . . A 6 G H8 . 18656 2 28 . 1 1 7 7 U H1' H 1 6.208 0.002 19 1 . . . A 7 U H1' . 18656 2 29 . 1 1 7 7 U H2' H 1 4.592 0.001 3 1 . . . A 7 U H2' . 18656 2 30 . 1 1 7 7 U H4' H 1 4.618 0.001 2 1 . . . A 7 U H4' . 18656 2 31 . 1 1 7 7 U H5 H 1 6.008 0.002 8 1 . . . A 7 U H5 . 18656 2 32 . 1 1 7 7 U H6 H 1 8.085 0.002 16 1 . . . A 7 U H6 . 18656 2 33 . 1 1 8 8 G H1' H 1 5.062 0.010 9 1 . . . A 8 G H1' . 18656 2 34 . 1 1 8 8 G H2' H 1 4.424 0.010 2 1 . . . A 8 G H2' . 18656 2 35 . 1 1 8 8 G H8 H 1 7.802 0.001 18 1 . . . A 8 G H8 . 18656 2 36 . 1 1 9 9 U H1' H 1 5.462 0.001 8 1 . . . A 9 U H1' . 18656 2 37 . 1 1 9 9 U H2' H 1 4.423 0.001 2 1 . . . A 9 U H2' . 18656 2 38 . 1 1 9 9 U H5 H 1 5.122 0.002 7 1 . . . A 9 U H5 . 18656 2 39 . 1 1 9 9 U H6 H 1 7.860 0.002 14 1 . . . A 9 U H6 . 18656 2 40 . 1 1 10 10 C H1' H 1 5.486 0.001 12 1 . . . A 10 C H1' . 18656 2 41 . 1 1 10 10 C H2' H 1 4.389 0.010 2 1 . . . A 10 C H2' . 18656 2 42 . 1 1 10 10 C H5 H 1 5.560 0.010 7 1 . . . A 10 C H5 . 18656 2 43 . 1 1 10 10 C H6 H 1 7.698 0.001 17 1 . . . A 10 C H6 . 18656 2 44 . 1 1 11 11 A H1' H 1 5.916 0.003 9 1 . . . A 11 A H1' . 18656 2 45 . 1 1 11 11 A H2 H 1 7.285 0.002 16 1 . . . A 11 A H2 . 18656 2 46 . 1 1 11 11 A H2' H 1 4.014 0.001 2 1 . . . A 11 A H2' . 18656 2 47 . 1 1 11 11 A H8 H 1 8.006 0.002 13 1 . . . A 11 A H8 . 18656 2 48 . 2 1 1 1 G H1 H 1 11.940 0.001 18 1 . . . A 1 G H1 . 18656 2 49 . 2 1 1 1 G H21 H 1 6.180 0.010 2 1 . . . A 1 G H21 . 18656 2 50 . 2 1 1 1 G H22 H 1 7.788 0.012 2 1 . . . A 1 G H22 . 18656 2 51 . 2 1 1 1 G N1 N 15 147.212 0.300 1 1 . . . A 1 G N1 . 18656 2 52 . 2 1 3 3 C H41 H 1 6.820 0.002 9 1 . . . A 3 C H41 . 18656 2 53 . 2 1 3 3 C H42 H 1 8.178 0.004 8 1 . . . A 3 C H42 . 18656 2 54 . 2 1 4 4 G H1 H 1 10.174 0.001 12 1 . . . A 4 G H1 . 18656 2 55 . 2 1 4 4 G N1 N 15 145.284 0.300 1 1 . . . A 4 G N1 . 18656 2 56 . 2 1 6 6 G H1 H 1 13.381 0.001 17 1 . . . A 6 G H1 . 18656 2 57 . 2 1 6 6 G N1 N 15 151.420 0.300 1 1 . . . A 6 G N1 . 18656 2 58 . 2 1 8 8 G H1 H 1 12.992 0.001 18 1 . . . A 8 G H1 . 18656 2 59 . 2 1 8 8 G H21 H 1 6.464 0.003 3 1 . . . A 8 G H21 . 18656 2 60 . 2 1 8 8 G H22 H 1 8.748 0.006 2 1 . . . A 8 G H22 . 18656 2 61 . 2 1 8 8 G N1 N 15 148.549 0.300 1 1 . . . A 8 G N1 . 18656 2 62 . 2 1 9 9 U H3 H 1 14.548 0.002 27 1 . . . A 9 U H3 . 18656 2 63 . 2 1 9 9 U N3 N 15 163.849 0.300 1 1 . . . A 9 U N3 . 18656 2 64 . 2 1 10 10 C H41 H 1 7.017 0.003 7 1 . . . A 10 C H41 . 18656 2 65 . 2 1 10 10 C H42 H 1 8.153 0.002 7 1 . . . A 10 C H42 . 18656 2 stop_ save_