################################### # 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 15571 _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 1 '2D 1H-1H NOESY' . . . 15571 1 5 '2D 1H-13C HSQC' . . . 15571 1 6 '2D 1H-31P HSQC' . . . 15571 1 7 '2D 1H-1H NOESY' . . . 15571 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 5.75 0.01 . 1 . . . . 1 G H1' . 15571 1 2 . 1 1 1 1 G H2' H 1 4.80 0.01 . 1 . . . . 1 G H2' . 15571 1 3 . 1 1 1 1 G H3' H 1 4.58 0.01 . 1 . . . . 1 G H3' . 15571 1 4 . 1 1 1 1 G H4' H 1 4.40 0.01 . 1 . . . . 1 G H4' . 15571 1 5 . 1 1 1 1 G H5' H 1 4.06 0.01 . 2 . . . . 1 G H5' . 15571 1 6 . 1 1 1 1 G H5'' H 1 3.92 0.01 . 2 . . . . 1 G H5'' . 15571 1 7 . 1 1 1 1 G H8 H 1 8.09 0.01 . 1 . . . . 1 G H8 . 15571 1 8 . 1 1 1 1 G C1' C 13 92.60 0.10 . 1 . . . . 1 G C1' . 15571 1 9 . 1 1 1 1 G C2' C 13 74.90 0.10 . 1 . . . . 1 G C2' . 15571 1 10 . 1 1 1 1 G C3' C 13 74.20 0.10 . 1 . . . . 1 G C3' . 15571 1 11 . 1 1 1 1 G C4' C 13 85.00 0.10 . 1 . . . . 1 G C4' . 15571 1 12 . 1 1 1 1 G C5' C 13 62.40 0.10 . 1 . . . . 1 G C5' . 15571 1 13 . 1 1 1 1 G C8 C 13 138.80 0.10 . 1 . . . . 1 G C8 . 15571 1 14 . 1 1 2 2 C H1' H 1 5.64 0.01 . 1 . . . . 2 C H1' . 15571 1 15 . 1 1 2 2 C H2' H 1 4.63 0.01 . 1 . . . . 2 C H2' . 15571 1 16 . 1 1 2 2 C H3' H 1 4.64 0.01 . 1 . . . . 2 C H3' . 15571 1 17 . 1 1 2 2 C H4' H 1 4.50 0.01 . 1 . . . . 2 C H4' . 15571 1 18 . 1 1 2 2 C H5 H 1 5.35 0.01 . 1 . . . . 2 C H5 . 15571 1 19 . 1 1 2 2 C H5' H 1 4.56 0.01 . 2 . . . . 2 C H5' . 15571 1 20 . 1 1 2 2 C H5'' H 1 4.22 0.01 . 2 . . . . 2 C H5'' . 15571 1 21 . 1 1 2 2 C H6 H 1 7.86 0.01 . 1 . . . . 2 C H6 . 15571 1 22 . 1 1 2 2 C H41 H 1 8.52 0.01 . 2 . . . . 2 C H41 . 15571 1 23 . 1 1 2 2 C H42 H 1 6.87 0.01 . 2 . . . . 2 C H42 . 15571 1 24 . 1 1 2 2 C C1' C 13 93.80 0.10 . 1 . . . . 2 C C1' . 15571 1 25 . 1 1 2 2 C C2' C 13 75.40 0.20 . 1 . . . . 2 C C2' . 15571 1 26 . 1 1 2 2 C C3' C 13 72.70 0.10 . 1 . . . . 2 C C3' . 15571 1 27 . 1 1 2 2 C C4' C 13 82.70 0.10 . 1 . . . . 2 C C4' . 15571 1 28 . 1 1 2 2 C C5 C 13 97.30 0.20 . 1 . . . . 2 C C5 . 15571 1 29 . 1 1 2 2 C C5' C 13 65.20 0.20 . 1 . . . . 2 C C5' . 15571 1 30 . 1 1 2 2 C C6 C 13 141.60 0.10 . 1 . . . . 2 C C6 . 15571 1 31 . 1 1 2 2 C P P 31 -4.26 0.01 . 1 . . . . 2 C P . 15571 1 32 . 1 1 3 3 A H1' H 1 5.98 0.01 . 1 . . . . 3 A H1' . 15571 1 33 . 1 1 3 3 A H2 H 1 6.96 0.01 . 1 . . . . 3 A H2 . 15571 1 34 . 1 1 3 3 A H2' H 1 4.70 0.01 . 1 . . . . 3 A H2' . 15571 1 35 . 1 1 3 3 A H3' H 1 4.76 0.01 . 1 . . . . 3 A H3' . 15571 1 36 . 1 1 3 3 A H4' H 1 4.53 0.01 . 1 . . . . 3 A H4' . 15571 1 37 . 1 1 3 3 A H5' H 1 4.56 0.01 . 2 . . . . 3 A H5' . 15571 1 38 . 1 1 3 3 A H5'' H 1 4.21 0.01 . 2 . . . . 3 A H5'' . 15571 1 39 . 1 1 3 3 A H8 H 1 8.02 0.01 . 1 . . . . 3 A H8 . 15571 1 40 . 1 1 3 3 A H61 H 1 7.75 0.01 . 2 . . . . 3 A H61 . 15571 1 41 . 1 1 3 3 A H62 H 1 6.32 0.01 . 2 . . . . 3 A H62 . 15571 1 42 . 1 1 3 3 A C1' C 13 92.90 0.10 . 1 . . . . 3 A C1' . 15571 1 43 . 1 1 3 3 A C2 C 13 152.40 0.10 . 1 . . . . 3 A C2 . 15571 1 44 . 1 1 3 3 A C2' C 13 75.70 0.10 . 1 . . . . 3 A C2' . 15571 1 45 . 1 1 3 3 A C3' C 13 73.00 0.10 . 1 . . . . 3 A C3' . 15571 1 46 . 1 1 3 3 A C4' C 13 82.00 0.20 . 1 . . . . 3 A C4' . 15571 1 47 . 1 1 3 3 A C5' C 13 65.20 0.20 . 1 . . . . 3 A C5' . 15571 1 48 . 1 1 3 3 A C8 C 13 139.60 0.10 . 1 . . . . 3 A C8 . 15571 1 49 . 1 1 3 3 A P P 31 -3.81 0.01 . 1 . . . . 3 A P . 15571 1 50 . 1 1 4 4 G H1 H 1 12.47 0.01 . 1 . . . . 4 G H1 . 15571 1 51 . 1 1 4 4 G H1' H 1 5.56 0.01 . 1 . . . . 4 G H1' . 15571 1 52 . 1 1 4 4 G H2' H 1 4.51 0.01 . 1 . . . . 4 G H2' . 15571 1 53 . 1 1 4 4 G H3' H 1 4.48 0.01 . 1 . . . . 4 G H3' . 15571 1 54 . 1 1 4 4 G H4' H 1 4.48 0.01 . 1 . . . . 4 G H4' . 15571 1 55 . 1 1 4 4 G H5' H 1 4.47 0.01 . 2 . . . . 4 G H5' . 15571 1 56 . 1 1 4 4 G H5'' H 1 4.09 0.01 . 2 . . . . 4 G H5'' . 15571 1 57 . 1 1 4 4 G H8 H 1 7.15 0.01 . 1 . . . . 4 G H8 . 15571 1 58 . 1 1 4 4 G H21 H 1 8.01 0.01 . 2 . . . . 4 G H21 . 15571 1 59 . 1 1 4 4 G H22 H 1 6.07 0.01 . 2 . . . . 4 G H22 . 15571 1 60 . 1 1 4 4 G C1' C 13 92.60 0.10 . 1 . . . . 4 G C1' . 15571 1 61 . 1 1 4 4 G C2' C 13 75.30 0.10 . 1 . . . . 4 G C2' . 15571 1 62 . 1 1 4 4 G C3' C 13 72.60 0.20 . 1 . . . . 4 G C3' . 15571 1 63 . 1 1 4 4 G C4' C 13 81.90 0.20 . 1 . . . . 4 G C4' . 15571 1 64 . 1 1 4 4 G C8 C 13 135.70 0.10 . 1 . . . . 4 G C8 . 15571 1 65 . 1 1 4 4 G P P 31 -3.94 0.01 . 1 . . . . 4 G P . 15571 1 66 . 1 1 5 5 A H1' H 1 5.91 0.01 . 1 . . . . 5 A H1' . 15571 1 67 . 1 1 5 5 A H2 H 1 7.39 0.01 . 1 . . . . 5 A H2 . 15571 1 68 . 1 1 5 5 A H2' H 1 4.63 0.01 . 1 . . . . 5 A H2' . 15571 1 69 . 1 1 5 5 A H3' H 1 4.63 0.01 . 1 . . . . 5 A H3' . 15571 1 70 . 1 1 5 5 A H4' H 1 4.48 0.01 . 1 . . . . 5 A H4' . 15571 1 71 . 1 1 5 5 A H5' H 1 4.55 0.01 . 2 . . . . 5 A H5' . 15571 1 72 . 1 1 5 5 A H5'' H 1 4.11 0.01 . 2 . . . . 5 A H5'' . 15571 1 73 . 1 1 5 5 A H8 H 1 7.66 0.01 . 1 . . . . 5 A H8 . 15571 1 74 . 1 1 5 5 A H62 H 1 6.53 0.01 . 2 . . . . 5 A H62 . 15571 1 75 . 1 1 5 5 A C1' C 13 92.70 0.20 . 1 . . . . 5 A C1' . 15571 1 76 . 1 1 5 5 A C2 C 13 153.30 0.10 . 1 . . . . 5 A C2 . 15571 1 77 . 1 1 5 5 A C2' C 13 75.60 0.20 . 1 . . . . 5 A C2' . 15571 1 78 . 1 1 5 5 A C3' C 13 72.70 0.10 . 1 . . . . 5 A C3' . 15571 1 79 . 1 1 5 5 A C4' C 13 81.90 0.20 . 1 . . . . 5 A C4' . 15571 1 80 . 1 1 5 5 A C8 C 13 139.10 0.10 . 1 . . . . 5 A C8 . 15571 1 81 . 1 1 6 6 G H1 H 1 12.53 0.01 . 1 . . . . 6 G H1 . 15571 1 82 . 1 1 6 6 G H1' H 1 5.58 0.01 . 1 . . . . 6 G H1' . 15571 1 83 . 1 1 6 6 G H2' H 1 4.51 0.01 . 1 . . . . 6 G H2' . 15571 1 84 . 1 1 6 6 G H3' H 1 4.46 0.01 . 1 . . . . 6 G H3' . 15571 1 85 . 1 1 6 6 G H4' H 1 4.46 0.01 . 1 . . . . 6 G H4' . 15571 1 86 . 1 1 6 6 G H5' H 1 4.43 0.01 . 2 . . . . 6 G H5' . 15571 1 87 . 1 1 6 6 G H5'' H 1 4.05 0.01 . 2 . . . . 6 G H5'' . 15571 1 88 . 1 1 6 6 G H8 H 1 7.12 0.01 . 1 . . . . 6 G H8 . 15571 1 89 . 1 1 6 6 G H21 H 1 8.00 0.01 . 2 . . . . 6 G H21 . 15571 1 90 . 1 1 6 6 G H22 H 1 6.08 0.01 . 2 . . . . 6 G H22 . 15571 1 91 . 1 1 6 6 G C1' C 13 92.60 0.10 . 1 . . . . 6 G C1' . 15571 1 92 . 1 1 6 6 G C2' C 13 75.30 0.10 . 1 . . . . 6 G C2' . 15571 1 93 . 1 1 6 6 G C3' C 13 72.90 0.10 . 1 . . . . 6 G C3' . 15571 1 94 . 1 1 6 6 G C4' C 13 81.90 0.20 . 1 . . . . 6 G C4' . 15571 1 95 . 1 1 6 6 G C5' C 13 65.80 0.10 . 1 . . . . 6 G C5' . 15571 1 96 . 1 1 6 6 G C8 C 13 135.80 0.10 . 1 . . . . 6 G C8 . 15571 1 97 . 1 1 6 6 G P P 31 -3.97 0.01 . 1 . . . . 6 G P . 15571 1 98 . 1 1 7 7 A H1' H 1 5.92 0.01 . 1 . . . . 7 A H1' . 15571 1 99 . 1 1 7 7 A H2 H 1 7.48 0.01 . 1 . . . . 7 A H2 . 15571 1 100 . 1 1 7 7 A H2' H 1 4.63 0.01 . 1 . . . . 7 A H2' . 15571 1 101 . 1 1 7 7 A H3' H 1 4.64 0.01 . 1 . . . . 7 A H3' . 15571 1 102 . 1 1 7 7 A H4' H 1 4.50 0.01 . 1 . . . . 7 A H4' . 15571 1 103 . 1 1 7 7 A H5' H 1 4.54 0.01 . 2 . . . . 7 A H5' . 15571 1 104 . 1 1 7 7 A H5'' H 1 4.11 0.01 . 2 . . . . 7 A H5'' . 15571 1 105 . 1 1 7 7 A H8 H 1 7.68 0.01 . 1 . . . . 7 A H8 . 15571 1 106 . 1 1 7 7 A H62 H 1 6.64 0.01 . 2 . . . . 7 A H62 . 15571 1 107 . 1 1 7 7 A C1' C 13 92.70 0.20 . 1 . . . . 7 A C1' . 15571 1 108 . 1 1 7 7 A C2 C 13 153.40 0.10 . 1 . . . . 7 A C2 . 15571 1 109 . 1 1 7 7 A C2' C 13 75.60 0.20 . 1 . . . . 7 A C2' . 15571 1 110 . 1 1 7 7 A C3' C 13 72.50 0.10 . 1 . . . . 7 A C3' . 15571 1 111 . 1 1 7 7 A C4' C 13 81.90 0.20 . 1 . . . . 7 A C4' . 15571 1 112 . 1 1 7 7 A C8 C 13 139.20 0.10 . 1 . . . . 7 A C8 . 15571 1 113 . 1 1 7 7 A P P 31 -4.15 0.01 . 1 . . . . 7 A P . 15571 1 114 . 1 1 8 8 G H1 H 1 13.54 0.01 . 1 . . . . 8 G H1 . 15571 1 115 . 1 1 8 8 G H1' H 1 5.63 0.01 . 1 . . . . 8 G H1' . 15571 1 116 . 1 1 8 8 G H2' H 1 4.43 0.01 . 1 . . . . 8 G H2' . 15571 1 117 . 1 1 8 8 G H3' H 1 4.40 0.01 . 1 . . . . 8 G H3' . 15571 1 118 . 1 1 8 8 G H4' H 1 4.43 0.01 . 1 . . . . 8 G H4' . 15571 1 119 . 1 1 8 8 G H5' H 1 4.48 0.01 . 2 . . . . 8 G H5' . 15571 1 120 . 1 1 8 8 G H5'' H 1 4.04 0.01 . 2 . . . . 8 G H5'' . 15571 1 121 . 1 1 8 8 G H8 H 1 7.22 0.01 . 1 . . . . 8 G H8 . 15571 1 122 . 1 1 8 8 G C1' C 13 92.60 0.10 . 1 . . . . 8 G C1' . 15571 1 123 . 1 1 8 8 G C2' C 13 75.40 0.20 . 1 . . . . 8 G C2' . 15571 1 124 . 1 1 8 8 G C3' C 13 72.70 0.10 . 1 . . . . 8 G C3' . 15571 1 125 . 1 1 8 8 G C4' C 13 82.10 0.20 . 1 . . . . 8 G C4' . 15571 1 126 . 1 1 8 8 G C8 C 13 135.50 0.10 . 1 . . . . 8 G C8 . 15571 1 127 . 1 1 8 8 G P P 31 -4.15 0.01 . 1 . . . . 8 G P . 15571 1 128 . 1 1 9 9 C H1' H 1 5.49 0.01 . 1 . . . . 9 C H1' . 15571 1 129 . 1 1 9 9 C H2' H 1 4.35 0.01 . 1 . . . . 9 C H2' . 15571 1 130 . 1 1 9 9 C H3' H 1 4.41 0.01 . 1 . . . . 9 C H3' . 15571 1 131 . 1 1 9 9 C H4' H 1 4.38 0.01 . 1 . . . . 9 C H4' . 15571 1 132 . 1 1 9 9 C H5 H 1 5.20 0.01 . 1 . . . . 9 C H5 . 15571 1 133 . 1 1 9 9 C H5' H 1 4.49 0.01 . 2 . . . . 9 C H5' . 15571 1 134 . 1 1 9 9 C H5'' H 1 4.04 0.01 . 2 . . . . 9 C H5'' . 15571 1 135 . 1 1 9 9 C H6 H 1 7.45 0.01 . 1 . . . . 9 C H6 . 15571 1 136 . 1 1 9 9 C H41 H 1 8.42 0.01 . 2 . . . . 9 C H41 . 15571 1 137 . 1 1 9 9 C H42 H 1 6.92 0.01 . 2 . . . . 9 C H42 . 15571 1 138 . 1 1 9 9 C C1' C 13 93.90 0.20 . 1 . . . . 9 C C1' . 15571 1 139 . 1 1 9 9 C C2' C 13 75.50 0.20 . 1 . . . . 9 C C2' . 15571 1 140 . 1 1 9 9 C C3' C 13 72.40 0.10 . 1 . . . . 9 C C3' . 15571 1 141 . 1 1 9 9 C C4' C 13 81.90 0.20 . 1 . . . . 9 C C4' . 15571 1 142 . 1 1 9 9 C C5 C 13 97.50 0.10 . 1 . . . . 9 C C5 . 15571 1 143 . 1 1 9 9 C C5' C 13 64.80 0.20 . 1 . . . . 9 C C5' . 15571 1 144 . 1 1 9 9 C C6 C 13 140.10 0.10 . 1 . . . . 9 C C6 . 15571 1 145 . 1 1 9 9 C P P 31 -4.40 0.01 . 1 . . . . 9 C P . 15571 1 146 . 1 1 10 10 G H1' H 1 5.84 0.01 . 1 . . . . 10 G H1' . 15571 1 147 . 1 1 10 10 G H2' H 1 4.14 0.01 . 1 . . . . 10 G H2' . 15571 1 148 . 1 1 10 10 G H3' H 1 4.29 0.01 . 1 . . . . 10 G H3' . 15571 1 149 . 1 1 10 10 G H4' H 1 4.24 0.01 . 1 . . . . 10 G H4' . 15571 1 150 . 1 1 10 10 G H5' H 1 4.41 0.01 . 2 . . . . 10 G H5' . 15571 1 151 . 1 1 10 10 G H5'' H 1 4.05 0.01 . 2 . . . . 10 G H5'' . 15571 1 152 . 1 1 10 10 G H8 H 1 7.69 0.01 . 1 . . . . 10 G H8 . 15571 1 153 . 1 1 10 10 G C1' C 13 91.30 0.10 . 1 . . . . 10 G C1' . 15571 1 154 . 1 1 10 10 G C2' C 13 77.60 0.10 . 1 . . . . 10 G C2' . 15571 1 155 . 1 1 10 10 G C3' C 13 70.70 0.10 . 1 . . . . 10 G C3' . 15571 1 156 . 1 1 10 10 G C4' C 13 84.30 0.10 . 1 . . . . 10 G C4' . 15571 1 157 . 1 1 10 10 G C5' C 13 65.70 0.20 . 1 . . . . 10 G C5' . 15571 1 158 . 1 1 10 10 G C8 C 13 137.80 0.10 . 1 . . . . 10 G C8 . 15571 1 159 . 1 1 10 10 G P P 31 -3.97 0.01 . 1 . . . . 10 G P . 15571 1 160 . 2 2 1 1 C H1' H 1 5.72 0.01 . 1 . . . . 1 C H1' . 15571 1 161 . 2 2 1 1 C H2' H 1 4.53 0.01 . 1 . . . . 1 C H2' . 15571 1 162 . 2 2 1 1 C H3' H 1 4.60 0.01 . 1 . . . . 1 C H3' . 15571 1 163 . 2 2 1 1 C H4' H 1 4.37 0.01 . 1 . . . . 1 C H4' . 15571 1 164 . 2 2 1 1 C H5 H 1 6.09 0.01 . 1 . . . . 1 C H5 . 15571 1 165 . 2 2 1 1 C H5' H 1 4.05 0.01 . 2 . . . . 1 C H5' . 15571 1 166 . 2 2 1 1 C H5'' H 1 3.94 0.01 . 2 . . . . 1 C H5'' . 15571 1 167 . 2 2 1 1 C H6 H 1 8.11 0.01 . 1 . . . . 1 C H6 . 15571 1 168 . 2 2 1 1 C H41 H 1 8.43 0.01 . 2 . . . . 1 C H41 . 15571 1 169 . 2 2 1 1 C C1' C 13 93.50 0.10 . 1 . . . . 1 C C1' . 15571 1 170 . 2 2 1 1 C C2' C 13 75.60 0.10 . 1 . . . . 1 C C2' . 15571 1 171 . 2 2 1 1 C C3' C 13 74.10 0.10 . 1 . . . . 1 C C3' . 15571 1 172 . 2 2 1 1 C C4' C 13 84.70 0.10 . 1 . . . . 1 C C4' . 15571 1 173 . 2 2 1 1 C C5 C 13 98.60 0.10 . 1 . . . . 1 C C5 . 15571 1 174 . 2 2 1 1 C C5' C 13 62.30 0.10 . 1 . . . . 1 C C5' . 15571 1 175 . 2 2 1 1 C C6 C 13 144.00 0.10 . 1 . . . . 1 C C6 . 15571 1 176 . 2 2 2 2 G H1 H 1 13.10 0.01 . 1 . . . . 2 G H1 . 15571 1 177 . 2 2 2 2 G H1' H 1 5.82 0.01 . 1 . . . . 2 G H1' . 15571 1 178 . 2 2 2 2 G H2' H 1 4.72 0.01 . 1 . . . . 2 G H2' . 15571 1 179 . 2 2 2 2 G H3' H 1 4.74 0.01 . 1 . . . . 2 G H3' . 15571 1 180 . 2 2 2 2 G H4' H 1 4.54 0.01 . 1 . . . . 2 G H4' . 15571 1 181 . 2 2 2 2 G H5' H 1 4.51 0.01 . 2 . . . . 2 G H5' . 15571 1 182 . 2 2 2 2 G H5'' H 1 4.21 0.01 . 2 . . . . 2 G H5'' . 15571 1 183 . 2 2 2 2 G H8 H 1 7.97 0.01 . 1 . . . . 2 G H8 . 15571 1 184 . 2 2 2 2 G C1' C 13 92.50 0.10 . 1 . . . . 2 G C1' . 15571 1 185 . 2 2 2 2 G C2' C 13 75.10 0.10 . 1 . . . . 2 G C2' . 15571 1 186 . 2 2 2 2 G C3' C 13 73.40 0.10 . 1 . . . . 2 G C3' . 15571 1 187 . 2 2 2 2 G C4' C 13 82.70 0.10 . 1 . . . . 2 G C4' . 15571 1 188 . 2 2 2 2 G C5' C 13 65.50 0.20 . 1 . . . . 2 G C5' . 15571 1 189 . 2 2 2 2 G C8 C 13 137.40 0.10 . 1 . . . . 2 G C8 . 15571 1 190 . 2 2 2 2 G P P 31 -3.80 0.01 . 1 . . . . 2 G P . 15571 1 191 . 2 2 3 3 C H1' H 1 5.60 0.01 . 1 . . . . 3 C H1' . 15571 1 192 . 2 2 3 3 C H2' H 1 4.43 0.01 . 1 . . . . 3 C H2' . 15571 1 193 . 2 2 3 3 C H3' H 1 4.52 0.01 . 1 . . . . 3 C H3' . 15571 1 194 . 2 2 3 3 C H4' H 1 4.50 0.01 . 1 . . . . 3 C H4' . 15571 1 195 . 2 2 3 3 C H5 H 1 5.36 0.01 . 1 . . . . 3 C H5 . 15571 1 196 . 2 2 3 3 C H5' H 1 4.58 0.01 . 2 . . . . 3 C H5' . 15571 1 197 . 2 2 3 3 C H5'' H 1 4.18 0.01 . 2 . . . . 3 C H5'' . 15571 1 198 . 2 2 3 3 C H6 H 1 7.81 0.01 . 1 . . . . 3 C H6 . 15571 1 199 . 2 2 3 3 C H41 H 1 8.67 0.01 . 2 . . . . 3 C H41 . 15571 1 200 . 2 2 3 3 C H42 H 1 6.91 0.01 . 2 . . . . 3 C H42 . 15571 1 201 . 2 2 3 3 C C1' C 13 94.20 0.10 . 1 . . . . 3 C C1' . 15571 1 202 . 2 2 3 3 C C2' C 13 75.40 0.20 . 1 . . . . 3 C C2' . 15571 1 203 . 2 2 3 3 C C3' C 13 72.30 0.10 . 1 . . . . 3 C C3' . 15571 1 204 . 2 2 3 3 C C4' C 13 81.90 0.20 . 1 . . . . 3 C C4' . 15571 1 205 . 2 2 3 3 C C5 C 13 97.30 0.20 . 1 . . . . 3 C C5 . 15571 1 206 . 2 2 3 3 C C5' C 13 64.80 0.20 . 1 . . . . 3 C C5' . 15571 1 207 . 2 2 3 3 C C6 C 13 141.60 0.10 . 1 . . . . 3 C C6 . 15571 1 208 . 2 2 3 3 C P P 31 -4.35 0.01 . 1 . . . . 3 C P . 15571 1 209 . 2 2 4 4 U H1' H 1 5.59 0.01 . 1 . . . . 4 U H1' . 15571 1 210 . 2 2 4 4 U H2' H 1 4.57 0.01 . 1 . . . . 4 U H2' . 15571 1 211 . 2 2 4 4 U H3 H 1 14.16 0.01 . 1 . . . . 4 U H3 . 15571 1 212 . 2 2 4 4 U H3' H 1 4.56 0.01 . 1 . . . . 4 U H3' . 15571 1 213 . 2 2 4 4 U H4' H 1 4.47 0.01 . 1 . . . . 4 U H4' . 15571 1 214 . 2 2 4 4 U H5 H 1 5.47 0.01 . 1 . . . . 4 U H5 . 15571 1 215 . 2 2 4 4 U H5' H 1 4.58 0.01 . 2 . . . . 4 U H5' . 15571 1 216 . 2 2 4 4 U H5'' H 1 4.14 0.01 . 2 . . . . 4 U H5'' . 15571 1 217 . 2 2 4 4 U H6 H 1 7.96 0.01 . 1 . . . . 4 U H6 . 15571 1 218 . 2 2 4 4 U C1' C 13 93.70 0.10 . 1 . . . . 4 U C1' . 15571 1 219 . 2 2 4 4 U C2' C 13 75.20 0.20 . 1 . . . . 4 U C2' . 15571 1 220 . 2 2 4 4 U C3' C 13 72.20 0.10 . 1 . . . . 4 U C3' . 15571 1 221 . 2 2 4 4 U C4' C 13 81.90 0.20 . 1 . . . . 4 U C4' . 15571 1 222 . 2 2 4 4 U C5 C 13 103.30 0.10 . 1 . . . . 4 U C5 . 15571 1 223 . 2 2 4 4 U C6 C 13 142.10 0.10 . 1 . . . . 4 U C6 . 15571 1 224 . 2 2 4 4 U P P 31 -4.34 0.01 . 1 . . . . 4 U P . 15571 1 225 . 2 2 5 5 C H1' H 1 5.58 0.01 . 1 . . . . 5 C H1' . 15571 1 226 . 2 2 5 5 C H2' H 1 4.34 0.01 . 1 . . . . 5 C H2' . 15571 1 227 . 2 2 5 5 C H3' H 1 4.48 0.01 . 1 . . . . 5 C H3' . 15571 1 228 . 2 2 5 5 C H4' H 1 4.47 0.01 . 1 . . . . 5 C H4' . 15571 1 229 . 2 2 5 5 C H5 H 1 5.71 0.01 . 1 . . . . 5 C H5 . 15571 1 230 . 2 2 5 5 C H5' H 1 4.55 0.01 . 2 . . . . 5 C H5' . 15571 1 231 . 2 2 5 5 C H5'' H 1 4.13 0.01 . 2 . . . . 5 C H5'' . 15571 1 232 . 2 2 5 5 C H6 H 1 7.92 0.01 . 1 . . . . 5 C H6 . 15571 1 233 . 2 2 5 5 C H41 H 1 8.44 0.01 . 2 . . . . 5 C H41 . 15571 1 234 . 2 2 5 5 C H42 H 1 7.03 0.01 . 2 . . . . 5 C H42 . 15571 1 235 . 2 2 5 5 C C1' C 13 94.00 0.10 . 1 . . . . 5 C C1' . 15571 1 236 . 2 2 5 5 C C2' C 13 75.50 0.20 . 1 . . . . 5 C C2' . 15571 1 237 . 2 2 5 5 C C3' C 13 72.60 0.20 . 1 . . . . 5 C C3' . 15571 1 238 . 2 2 5 5 C C4' C 13 81.90 0.20 . 1 . . . . 5 C C4' . 15571 1 239 . 2 2 5 5 C C5 C 13 97.60 0.10 . 1 . . . . 5 C C5 . 15571 1 240 . 2 2 5 5 C C6 C 13 141.80 0.10 . 1 . . . . 5 C C6 . 15571 1 241 . 2 2 5 5 C P P 31 -4.30 0.01 . 1 . . . . 5 C P . 15571 1 242 . 2 2 6 6 U H1' H 1 5.49 0.01 . 1 . . . . 6 U H1' . 15571 1 243 . 2 2 6 6 U H2' H 1 4.50 0.01 . 1 . . . . 6 U H2' . 15571 1 244 . 2 2 6 6 U H3 H 1 14.07 0.01 . 1 . . . . 6 U H3 . 15571 1 245 . 2 2 6 6 U H3' H 1 4.53 0.01 . 1 . . . . 6 U H3' . 15571 1 246 . 2 2 6 6 U H4' H 1 4.43 0.01 . 1 . . . . 6 U H4' . 15571 1 247 . 2 2 6 6 U H5 H 1 5.42 0.01 . 1 . . . . 6 U H5 . 15571 1 248 . 2 2 6 6 U H5' H 1 4.55 0.01 . 2 . . . . 6 U H5' . 15571 1 249 . 2 2 6 6 U H5'' H 1 4.11 0.01 . 2 . . . . 6 U H5'' . 15571 1 250 . 2 2 6 6 U H6 H 1 7.93 0.01 . 1 . . . . 6 U H6 . 15571 1 251 . 2 2 6 6 U C1' C 13 93.90 0.20 . 1 . . . . 6 U C1' . 15571 1 252 . 2 2 6 6 U C2' C 13 75.30 0.10 . 1 . . . . 6 U C2' . 15571 1 253 . 2 2 6 6 U C3' C 13 72.20 0.10 . 1 . . . . 6 U C3' . 15571 1 254 . 2 2 6 6 U C4' C 13 82.10 0.20 . 1 . . . . 6 U C4' . 15571 1 255 . 2 2 6 6 U C5 C 13 103.10 0.10 . 1 . . . . 6 U C5 . 15571 1 256 . 2 2 6 6 U C6 C 13 142.10 0.10 . 1 . . . . 6 U C6 . 15571 1 257 . 2 2 6 6 U P P 31 -4.58 0.01 . 1 . . . . 6 U P . 15571 1 258 . 2 2 7 7 C H1' H 1 5.54 0.01 . 1 . . . . 7 C H1' . 15571 1 259 . 2 2 7 7 C H2' H 1 4.32 0.01 . 1 . . . . 7 C H2' . 15571 1 260 . 2 2 7 7 C H3' H 1 4.48 0.01 . 1 . . . . 7 C H3' . 15571 1 261 . 2 2 7 7 C H4' H 1 4.44 0.01 . 1 . . . . 7 C H4' . 15571 1 262 . 2 2 7 7 C H5 H 1 5.66 0.01 . 1 . . . . 7 C H5 . 15571 1 263 . 2 2 7 7 C H5'' H 1 4.10 0.01 . 2 . . . . 7 C H5'' . 15571 1 264 . 2 2 7 7 C H6 H 1 7.89 0.01 . 1 . . . . 7 C H6 . 15571 1 265 . 2 2 7 7 C H41 H 1 8.30 0.01 . 2 . . . . 7 C H41 . 15571 1 266 . 2 2 7 7 C H42 H 1 7.01 0.01 . 2 . . . . 7 C H42 . 15571 1 267 . 2 2 7 7 C C1' C 13 94.00 0.10 . 1 . . . . 7 C C1' . 15571 1 268 . 2 2 7 7 C C2' C 13 75.50 0.20 . 1 . . . . 7 C C2' . 15571 1 269 . 2 2 7 7 C C3' C 13 72.60 0.20 . 1 . . . . 7 C C3' . 15571 1 270 . 2 2 7 7 C C4' C 13 82.00 0.20 . 1 . . . . 7 C C4' . 15571 1 271 . 2 2 7 7 C C5 C 13 97.40 0.10 . 1 . . . . 7 C C5 . 15571 1 272 . 2 2 7 7 C C6 C 13 141.70 0.10 . 1 . . . . 7 C C6 . 15571 1 273 . 2 2 7 7 C P P 31 -4.45 0.01 . 1 . . . . 7 C P . 15571 1 274 . 2 2 8 8 U H1' H 1 5.46 0.01 . 1 . . . . 8 U H1' . 15571 1 275 . 2 2 8 8 U H2' H 1 4.56 0.01 . 1 . . . . 8 U H2' . 15571 1 276 . 2 2 8 8 U H3 H 1 13.46 0.01 . 1 . . . . 8 U H3 . 15571 1 277 . 2 2 8 8 U H3' H 1 4.58 0.01 . 1 . . . . 8 U H3' . 15571 1 278 . 2 2 8 8 U H4' H 1 4.44 0.01 . 1 . . . . 8 U H4' . 15571 1 279 . 2 2 8 8 U H5 H 1 5.39 0.01 . 1 . . . . 8 U H5 . 15571 1 280 . 2 2 8 8 U H5' H 1 4.59 0.01 . 2 . . . . 8 U H5' . 15571 1 281 . 2 2 8 8 U H5'' H 1 4.10 0.01 . 2 . . . . 8 U H5'' . 15571 1 282 . 2 2 8 8 U H6 H 1 7.83 0.01 . 1 . . . . 8 U H6 . 15571 1 283 . 2 2 8 8 U C1' C 13 93.60 0.10 . 1 . . . . 8 U C1' . 15571 1 284 . 2 2 8 8 U C2' C 13 75.20 0.20 . 1 . . . . 8 U C2' . 15571 1 285 . 2 2 8 8 U C3' C 13 72.40 0.10 . 1 . . . . 8 U C3' . 15571 1 286 . 2 2 8 8 U C4' C 13 82.00 0.20 . 1 . . . . 8 U C4' . 15571 1 287 . 2 2 8 8 U C5 C 13 103.70 0.10 . 1 . . . . 8 U C5 . 15571 1 288 . 2 2 8 8 U C5' C 13 64.40 0.20 . 1 . . . . 8 U C5' . 15571 1 289 . 2 2 8 8 U C6 C 13 141.50 0.10 . 1 . . . . 8 U C6 . 15571 1 290 . 2 2 8 8 U P P 31 -4.40 0.01 . 1 . . . . 8 U P . 15571 1 291 . 2 2 9 9 G H1 H 1 12.65 0.01 . 1 . . . . 9 G H1 . 15571 1 292 . 2 2 9 9 G H1' H 1 5.79 0.01 . 1 . . . . 9 G H1' . 15571 1 293 . 2 2 9 9 G H2' H 1 4.37 0.01 . 1 . . . . 9 G H2' . 15571 1 294 . 2 2 9 9 G H3' H 1 4.60 0.01 . 1 . . . . 9 G H3' . 15571 1 295 . 2 2 9 9 G H4' H 1 4.45 0.01 . 1 . . . . 9 G H4' . 15571 1 296 . 2 2 9 9 G H5'' H 1 4.11 0.01 . 2 . . . . 9 G H5'' . 15571 1 297 . 2 2 9 9 G H8 H 1 7.76 0.01 . 1 . . . . 9 G H8 . 15571 1 298 . 2 2 9 9 G H21 H 1 8.16 0.01 . 2 . . . . 9 G H21 . 15571 1 299 . 2 2 9 9 G H22 H 1 5.98 0.01 . 2 . . . . 9 G H22 . 15571 1 300 . 2 2 9 9 G C1' C 13 92.80 0.10 . 1 . . . . 9 G C1' . 15571 1 301 . 2 2 9 9 G C2' C 13 75.50 0.20 . 1 . . . . 9 G C2' . 15571 1 302 . 2 2 9 9 G C3' C 13 72.40 0.10 . 1 . . . . 9 G C3' . 15571 1 303 . 2 2 9 9 G C4' C 13 82.00 0.20 . 1 . . . . 9 G C4' . 15571 1 304 . 2 2 9 9 G C8 C 13 136.40 0.10 . 1 . . . . 9 G C8 . 15571 1 305 . 2 2 9 9 G P P 31 -4.17 0.01 . 1 . . . . 9 G P . 15571 1 306 . 2 2 10 10 C H1' H 1 5.70 0.01 . 1 . . . . 10 C H1' . 15571 1 307 . 2 2 10 10 C H2' H 1 3.96 0.01 . 1 . . . . 10 C H2' . 15571 1 308 . 2 2 10 10 C H3' H 1 4.14 0.01 . 1 . . . . 10 C H3' . 15571 1 309 . 2 2 10 10 C H4' H 1 4.16 0.01 . 1 . . . . 10 C H4' . 15571 1 310 . 2 2 10 10 C H5 H 1 5.30 0.01 . 1 . . . . 10 C H5 . 15571 1 311 . 2 2 10 10 C H5' H 1 4.48 0.01 . 2 . . . . 10 C H5' . 15571 1 312 . 2 2 10 10 C H5'' H 1 4.02 0.01 . 2 . . . . 10 C H5'' . 15571 1 313 . 2 2 10 10 C H6 H 1 7.52 0.01 . 1 . . . . 10 C H6 . 15571 1 314 . 2 2 10 10 C H41 H 1 8.37 0.01 . 2 . . . . 10 C H41 . 15571 1 315 . 2 2 10 10 C H42 H 1 7.15 0.01 . 2 . . . . 10 C H42 . 15571 1 316 . 2 2 10 10 C C1' C 13 92.70 0.10 . 1 . . . . 10 C C1' . 15571 1 317 . 2 2 10 10 C C2' C 13 77.50 0.10 . 1 . . . . 10 C C2' . 15571 1 318 . 2 2 10 10 C C3' C 13 69.70 0.10 . 1 . . . . 10 C C3' . 15571 1 319 . 2 2 10 10 C C4' C 13 83.40 0.10 . 1 . . . . 10 C C4' . 15571 1 320 . 2 2 10 10 C C5 C 13 97.40 0.10 . 1 . . . . 10 C C5 . 15571 1 321 . 2 2 10 10 C C5' C 13 65.20 0.10 . 1 . . . . 10 C C5' . 15571 1 322 . 2 2 10 10 C C6 C 13 141.50 0.10 . 1 . . . . 10 C C6 . 15571 1 323 . 2 2 10 10 C P P 31 -4.33 0.01 . 1 . . . . 10 C P . 15571 1 stop_ save_