################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30452 _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 $chem_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 'high_temp sample conditions were also used.' _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-15N HSQC' . . . 30452 1 2 '2D 1H-1H TOCSY' . . . 30452 1 3 '2D 1H-1H NOESY' . . . 30452 1 4 '2D 1H-1H NOESY' . . . 30452 1 5 '2D 1H-13C HSQC' . . . 30452 1 6 '3D 1H-15N NOESY' . . . 30452 1 7 '3D 1H-13C NOESY' . . . 30452 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.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 G H1 H 1 12 . . . . . . . B 17 G H1 . 30452 1 2 . 2 2 1 1 G H1' H 1 5.78 . . . . . . . B 17 G H1' . 30452 1 3 . 2 2 1 1 G H3' H 1 4.69 . . . . . . . B 17 G H3' . 30452 1 4 . 2 2 1 1 G H4' H 1 4.53 . . . . . . . B 17 G H4' . 30452 1 5 . 2 2 1 1 G H5' H 1 4.36 . . . . . . . B 17 G H5' . 30452 1 6 . 2 2 1 1 G H5'' H 1 4.21 . . . . . . . B 17 G H5'' . 30452 1 7 . 2 2 1 1 G H8 H 1 8.08 . . . . . . . B 17 G H8 . 30452 1 8 . 2 2 1 1 G C1' C 13 90.84 . . . . . . . B 17 G C1' . 30452 1 9 . 2 2 1 1 G C2' C 13 74.2 . . . . . . . B 17 G C2' . 30452 1 10 . 2 2 1 1 G C4' C 13 83.62 . . . . . . . B 17 G C4' . 30452 1 11 . 2 2 1 1 G C5' C 13 67.43 . . . . . . . B 17 G C5' . 30452 1 12 . 2 2 1 1 G C8 C 13 138.98 . . . . . . . B 17 G C8 . 30452 1 13 . 2 2 1 1 G N1 N 15 147.4 . . . . . . . B 17 G N1 . 30452 1 14 . 2 2 1 1 G HO2' H 1 4.9 . . . . . . . B 17 G HO2' . 30452 1 15 . 2 2 2 2 G H1 H 1 13.3 . . . . . . . B 18 G H1 . 30452 1 16 . 2 2 2 2 G H1' H 1 5.87 . . . . . . . B 18 G H1' . 30452 1 17 . 2 2 2 2 G H3' H 1 4.51 . . . . . . . B 18 G H3' . 30452 1 18 . 2 2 2 2 G H4' H 1 4.46 . . . . . . . B 18 G H4' . 30452 1 19 . 2 2 2 2 G H5' H 1 4.23 . . . . . . . B 18 G H5' . 30452 1 20 . 2 2 2 2 G H5'' H 1 4.39 . . . . . . . B 18 G H5'' . 30452 1 21 . 2 2 2 2 G H8 H 1 7.59 . . . . . . . B 18 G H8 . 30452 1 22 . 2 2 2 2 G H21 H 1 7.61 . . . . . . . B 18 G H21 . 30452 1 23 . 2 2 2 2 G H22 H 1 6.06 . . . . . . . B 18 G H22 . 30452 1 24 . 2 2 2 2 G C1' C 13 92.97 . . . . . . . B 18 G C1' . 30452 1 25 . 2 2 2 2 G C2' C 13 75.29 . . . . . . . B 18 G C2' . 30452 1 26 . 2 2 2 2 G C3' C 13 73.26 . . . . . . . B 18 G C3' . 30452 1 27 . 2 2 2 2 G C4' C 13 81.72 . . . . . . . B 18 G C4' . 30452 1 28 . 2 2 2 2 G C5' C 13 69.01 . . . . . . . B 18 G C5' . 30452 1 29 . 2 2 2 2 G C8 C 13 136.78 . . . . . . . B 18 G C8 . 30452 1 30 . 2 2 2 2 G N1 N 15 148.2 . . . . . . . B 18 G N1 . 30452 1 31 . 2 2 2 2 G HO2' H 1 4.54 . . . . . . . B 18 G HO2' . 30452 1 32 . 2 2 3 3 C H1' H 1 5.5 . . . . . . . B 19 C H1' . 30452 1 33 . 2 2 3 3 C H3' H 1 4.46 . . . . . . . B 19 C H3' . 30452 1 34 . 2 2 3 3 C H4' H 1 4.41 . . . . . . . B 19 C H4' . 30452 1 35 . 2 2 3 3 C H5 H 1 5.21 . . . . . . . B 19 C H5 . 30452 1 36 . 2 2 3 3 C H5' H 1 4.58 . . . . . . . B 19 C H5' . 30452 1 37 . 2 2 3 3 C H5'' H 1 5.22 . . . . . . . B 19 C H5'' . 30452 1 38 . 2 2 3 3 C H6 H 1 7.58 . . . . . . . B 19 C H6 . 30452 1 39 . 2 2 3 3 C H41 H 1 8.38 . . . . . . . B 19 C H41 . 30452 1 40 . 2 2 3 3 C H42 H 1 6.84 . . . . . . . B 19 C H42 . 30452 1 41 . 2 2 3 3 C C1' C 13 93.9 . . . . . . . B 19 C C1' . 30452 1 42 . 2 2 3 3 C C2' C 13 75.45 . . . . . . . B 19 C C2' . 30452 1 43 . 2 2 3 3 C C3' C 13 72.03 . . . . . . . B 19 C C3' . 30452 1 44 . 2 2 3 3 C C4' C 13 81.93 . . . . . . . B 19 C C4' . 30452 1 45 . 2 2 3 3 C C5 C 13 97.41 . . . . . . . B 19 C C5 . 30452 1 46 . 2 2 3 3 C C5' C 13 64.63 . . . . . . . B 19 C C5' . 30452 1 47 . 2 2 3 3 C C6 C 13 140.65 . . . . . . . B 19 C C6 . 30452 1 48 . 2 2 3 3 C HO2' H 1 4.57 . . . . . . . B 19 C HO2' . 30452 1 49 . 2 2 4 4 A H1' H 1 5.91 . . . . . . . B 20 A H1' . 30452 1 50 . 2 2 4 4 A H2 H 1 6.84 . . . . . . . B 20 A H2 . 30452 1 51 . 2 2 4 4 A H4' H 1 4.49 . . . . . . . B 20 A H4' . 30452 1 52 . 2 2 4 4 A H5' H 1 4.45 . . . . . . . B 20 A H5' . 30452 1 53 . 2 2 4 4 A H5'' H 1 4.47 . . . . . . . B 20 A H5'' . 30452 1 54 . 2 2 4 4 A H8 H 1 7.88 . . . . . . . B 20 A H8 . 30452 1 55 . 2 2 4 4 A H61 H 1 7.73 . . . . . . . B 20 A H61 . 30452 1 56 . 2 2 4 4 A H62 H 1 6.23 . . . . . . . B 20 A H62 . 30452 1 57 . 2 2 4 4 A C1' C 13 93.03 . . . . . . . B 20 A C1' . 30452 1 58 . 2 2 4 4 A C2 C 13 152.13 . . . . . . . B 20 A C2 . 30452 1 59 . 2 2 4 4 A C2' C 13 75.99 . . . . . . . B 20 A C2' . 30452 1 60 . 2 2 4 4 A C4' C 13 81.91 . . . . . . . B 20 A C4' . 30452 1 61 . 2 2 4 4 A C5' C 13 65.9 . . . . . . . B 20 A C5' . 30452 1 62 . 2 2 4 4 A C8 C 13 139.28 . . . . . . . B 20 A C8 . 30452 1 63 . 2 2 4 4 A HO2' H 1 4.63 . . . . . . . B 20 A HO2' . 30452 1 64 . 2 2 5 5 G H1 H 1 12.52 . . . . . . . B 21 G H1 . 30452 1 65 . 2 2 5 5 G H1' H 1 5.58 . . . . . . . B 21 G H1' . 30452 1 66 . 2 2 5 5 G H3' H 1 4.44 . . . . . . . B 21 G H3' . 30452 1 67 . 2 2 5 5 G H4' H 1 4.43 . . . . . . . B 21 G H4' . 30452 1 68 . 2 2 5 5 G H5' H 1 4.45 . . . . . . . B 21 G H5' . 30452 1 69 . 2 2 5 5 G H5'' H 1 4.03 . . . . . . . B 21 G H5'' . 30452 1 70 . 2 2 5 5 G H8 H 1 7.06 . . . . . . . B 21 G H8 . 30452 1 71 . 2 2 5 5 G H21 H 1 7.95 . . . . . . . B 21 G H21 . 30452 1 72 . 2 2 5 5 G H22 H 1 6.04 . . . . . . . B 21 G H22 . 30452 1 73 . 2 2 5 5 G C1' C 13 92.47 . . . . . . . B 21 G C1' . 30452 1 74 . 2 2 5 5 G C2' C 13 75.98 . . . . . . . B 21 G C2' . 30452 1 75 . 2 2 5 5 G C3' C 13 72.31 . . . . . . . B 21 G C3' . 30452 1 76 . 2 2 5 5 G C4' C 13 81.63 . . . . . . . B 21 G C4' . 30452 1 77 . 2 2 5 5 G C5' C 13 65.2 . . . . . . . B 21 G C5' . 30452 1 78 . 2 2 5 5 G C8 C 13 135.4 . . . . . . . B 21 G C8 . 30452 1 79 . 2 2 5 5 G N1 N 15 146.5 . . . . . . . B 21 G N1 . 30452 1 80 . 2 2 5 5 G HO2' H 1 4.37 . . . . . . . B 21 G HO2' . 30452 1 81 . 2 2 6 6 A H1' H 1 5.94 . . . . . . . B 22 A H1' . 30452 1 82 . 2 2 6 6 A H2 H 1 7.05 . . . . . . . B 22 A H2 . 30452 1 83 . 2 2 6 6 A H3' H 1 4.63 . . . . . . . B 22 A H3' . 30452 1 84 . 2 2 6 6 A H4' H 1 4.39 . . . . . . . B 22 A H4' . 30452 1 85 . 2 2 6 6 A H5' H 1 4.58 . . . . . . . B 22 A H5' . 30452 1 86 . 2 2 6 6 A H5'' H 1 4.11 . . . . . . . B 22 A H5'' . 30452 1 87 . 2 2 6 6 A H8 H 1 7.78 . . . . . . . B 22 A H8 . 30452 1 88 . 2 2 6 6 A H61 H 1 8.09 . . . . . . . B 22 A H61 . 30452 1 89 . 2 2 6 6 A H62 H 1 6.32 . . . . . . . B 22 A H62 . 30452 1 90 . 2 2 6 6 A C1' C 13 92.62 . . . . . . . B 22 A C1' . 30452 1 91 . 2 2 6 6 A C2 C 13 154.02 . . . . . . . B 22 A C2 . 30452 1 92 . 2 2 6 6 A C2' C 13 75.49 . . . . . . . B 22 A C2' . 30452 1 93 . 2 2 6 6 A C3' C 13 72.52 . . . . . . . B 22 A C3' . 30452 1 94 . 2 2 6 6 A C4' C 13 81.79 . . . . . . . B 22 A C4' . 30452 1 95 . 2 2 6 6 A C5' C 13 64.59 . . . . . . . B 22 A C5' . 30452 1 96 . 2 2 6 6 A C8 C 13 138.97 . . . . . . . B 22 A C8 . 30452 1 97 . 2 2 6 6 A HO2' H 1 4.28 . . . . . . . B 22 A HO2' . 30452 1 98 . 2 2 7 7 U H1' H 1 5.88 . . . . . . . B 23 U H1' . 30452 1 99 . 2 2 7 7 U H3 H 1 14.16 . . . . . . . B 23 U H3 . 30452 1 100 . 2 2 7 7 U H4' H 1 4.73 . . . . . . . B 23 U H4' . 30452 1 101 . 2 2 7 7 U H5 H 1 4.98 . . . . . . . B 23 U H5 . 30452 1 102 . 2 2 7 7 U H5' H 1 4.51 . . . . . . . B 23 U H5' . 30452 1 103 . 2 2 7 7 U H5'' H 1 4.32 . . . . . . . B 23 U H5'' . 30452 1 104 . 2 2 7 7 U H6 H 1 7.83 . . . . . . . B 23 U H6 . 30452 1 105 . 2 2 7 7 U C1' C 13 90.63 . . . . . . . B 23 U C1' . 30452 1 106 . 2 2 7 7 U C2' C 13 75.21 . . . . . . . B 23 U C2' . 30452 1 107 . 2 2 7 7 U C4' C 13 83.7 . . . . . . . B 23 U C4' . 30452 1 108 . 2 2 7 7 U C5 C 13 102.33 . . . . . . . B 23 U C5 . 30452 1 109 . 2 2 7 7 U C5' C 13 70.56 . . . . . . . B 23 U C5' . 30452 1 110 . 2 2 7 7 U C6 C 13 145.09 . . . . . . . B 23 U C6 . 30452 1 111 . 2 2 7 7 U N3 N 15 161.5 . . . . . . . B 23 U N3 . 30452 1 112 . 2 2 7 7 U HO2' H 1 5.05 . . . . . . . B 23 U HO2' . 30452 1 113 . 2 2 8 8 C H1' H 1 6.02 . . . . . . . B 24 C H1' . 30452 1 114 . 2 2 8 8 C H3' H 1 4.76 . . . . . . . B 24 C H3' . 30452 1 115 . 2 2 8 8 C H4' H 1 4.39 . . . . . . . B 24 C H4' . 30452 1 116 . 2 2 8 8 C H5 H 1 6.03 . . . . . . . B 24 C H5 . 30452 1 117 . 2 2 8 8 C H6 H 1 7.83 . . . . . . . B 24 C H6 . 30452 1 118 . 2 2 8 8 C C1' C 13 91.58 . . . . . . . B 24 C C1' . 30452 1 119 . 2 2 8 8 C C2' C 13 75.88 . . . . . . . B 24 C C2' . 30452 1 120 . 2 2 8 8 C C3' C 13 74.86 . . . . . . . B 24 C C3' . 30452 1 121 . 2 2 8 8 C C4' C 13 84.01 . . . . . . . B 24 C C4' . 30452 1 122 . 2 2 8 8 C C5 C 13 99.44 . . . . . . . B 24 C C5 . 30452 1 123 . 2 2 8 8 C C6 C 13 144.15 . . . . . . . B 24 C C6 . 30452 1 124 . 2 2 8 8 C HO2' H 1 4.39 . . . . . . . B 24 C HO2' . 30452 1 125 . 2 2 9 9 U H1' H 1 6.09 . . . . . . . B 25 U H1' . 30452 1 126 . 2 2 9 9 U H3' H 1 4.68 . . . . . . . B 25 U H3' . 30452 1 127 . 2 2 9 9 U H4' H 1 4.6 . . . . . . . B 25 U H4' . 30452 1 128 . 2 2 9 9 U H5 H 1 5.91 . . . . . . . B 25 U H5 . 30452 1 129 . 2 2 9 9 U H5' H 1 4.24 . . . . . . . B 25 U H5' . 30452 1 130 . 2 2 9 9 U H5'' H 1 4.17 . . . . . . . B 25 U H5'' . 30452 1 131 . 2 2 9 9 U H6 H 1 7.92 . . . . . . . B 25 U H6 . 30452 1 132 . 2 2 9 9 U C1' C 13 90.24 . . . . . . . B 25 U C1' . 30452 1 133 . 2 2 9 9 U C2' C 13 75.83 . . . . . . . B 25 U C2' . 30452 1 134 . 2 2 9 9 U C3' C 13 77.36 . . . . . . . B 25 U C3' . 30452 1 135 . 2 2 9 9 U C4' C 13 85.52 . . . . . . . B 25 U C4' . 30452 1 136 . 2 2 9 9 U C5 C 13 105.43 . . . . . . . B 25 U C5 . 30452 1 137 . 2 2 9 9 U C5' C 13 67.97 . . . . . . . B 25 U C5' . 30452 1 138 . 2 2 9 9 U C6 C 13 144.25 . . . . . . . B 25 U C6 . 30452 1 139 . 2 2 9 9 U HO2' H 1 4.44 . . . . . . . B 25 U HO2' . 30452 1 140 . 2 2 10 10 G H1 H 1 12.65 . . . . . . . B 26 G H1 . 30452 1 141 . 2 2 10 10 G H1' H 1 5.94 . . . . . . . B 26 G H1' . 30452 1 142 . 2 2 10 10 G H8 H 1 7.8 . . . . . . . B 26 G H8 . 30452 1 143 . 2 2 10 10 G H21 H 1 8.08 . . . . . . . B 26 G H21 . 30452 1 144 . 2 2 10 10 G H22 H 1 5.87 . . . . . . . B 26 G H22 . 30452 1 145 . 2 2 10 10 G C1' C 13 94.51 . . . . . . . B 26 G C1' . 30452 1 146 . 2 2 10 10 G C2' C 13 75.47 . . . . . . . B 26 G C2' . 30452 1 147 . 2 2 10 10 G C8 C 13 138.02 . . . . . . . B 26 G C8 . 30452 1 148 . 2 2 10 10 G N1 N 15 147.3 . . . . . . . B 26 G N1 . 30452 1 149 . 2 2 10 10 G HO2' H 1 5.01 . . . . . . . B 26 G HO2' . 30452 1 150 . 2 2 11 11 A H1' H 1 5.97 . . . . . . . B 27 A H1' . 30452 1 151 . 2 2 11 11 A H2 H 1 7.38 . . . . . . . B 27 A H2 . 30452 1 152 . 2 2 11 11 A H2' H 1 4.65 . . . . . . . B 27 A H2' . 30452 1 153 . 2 2 11 11 A H3' H 1 4.62 . . . . . . . B 27 A H3' . 30452 1 154 . 2 2 11 11 A H4' H 1 4.57 . . . . . . . B 27 A H4' . 30452 1 155 . 2 2 11 11 A H5' H 1 4.68 . . . . . . . B 27 A H5' . 30452 1 156 . 2 2 11 11 A H5'' H 1 4.14 . . . . . . . B 27 A H5'' . 30452 1 157 . 2 2 11 11 A H8 H 1 7.88 . . . . . . . B 27 A H8 . 30452 1 158 . 2 2 11 11 A H61 H 1 7.83 . . . . . . . B 27 A H61 . 30452 1 159 . 2 2 11 11 A H62 H 1 6.52 . . . . . . . B 27 A H62 . 30452 1 160 . 2 2 11 11 A C1' C 13 93.24 . . . . . . . B 27 A C1' . 30452 1 161 . 2 2 11 11 A C2 C 13 153.53 . . . . . . . B 27 A C2 . 30452 1 162 . 2 2 11 11 A C2' C 13 75.5 . . . . . . . B 27 A C2' . 30452 1 163 . 2 2 11 11 A C3' C 13 73.26 . . . . . . . B 27 A C3' . 30452 1 164 . 2 2 11 11 A C4' C 13 81.97 . . . . . . . B 27 A C4' . 30452 1 165 . 2 2 11 11 A C5' C 13 65.03 . . . . . . . B 27 A C5' . 30452 1 166 . 2 2 11 11 A C8 C 13 139.73 . . . . . . . B 27 A C8 . 30452 1 167 . 2 2 11 11 A HO2' H 1 6.62 . . . . . . . B 27 A HO2' . 30452 1 168 . 2 2 12 12 G H1 H 1 13.72 . . . . . . . B 28 G H1 . 30452 1 169 . 2 2 12 12 G H1' H 1 5.88 . . . . . . . B 28 G H1' . 30452 1 170 . 2 2 12 12 G H3' H 1 4.51 . . . . . . . B 28 G H3' . 30452 1 171 . 2 2 12 12 G H4' H 1 4.46 . . . . . . . B 28 G H4' . 30452 1 172 . 2 2 12 12 G H5' H 1 4.38 . . . . . . . B 28 G H5' . 30452 1 173 . 2 2 12 12 G H5'' H 1 4.24 . . . . . . . B 28 G H5'' . 30452 1 174 . 2 2 12 12 G H8 H 1 7.62 . . . . . . . B 28 G H8 . 30452 1 175 . 2 2 12 12 G H21 H 1 8.77 . . . . . . . B 28 G H21 . 30452 1 176 . 2 2 12 12 G H22 H 1 6.38 . . . . . . . B 28 G H22 . 30452 1 177 . 2 2 12 12 G C1' C 13 92.64 . . . . . . . B 28 G C1' . 30452 1 178 . 2 2 12 12 G C2' C 13 75.33 . . . . . . . B 28 G C2' . 30452 1 179 . 2 2 12 12 G C3' C 13 73.27 . . . . . . . B 28 G C3' . 30452 1 180 . 2 2 12 12 G C4' C 13 81.73 . . . . . . . B 28 G C4' . 30452 1 181 . 2 2 12 12 G C5' C 13 69.01 . . . . . . . B 28 G C5' . 30452 1 182 . 2 2 12 12 G C8 C 13 136.04 . . . . . . . B 28 G C8 . 30452 1 183 . 2 2 12 12 G N1 N 15 147.8 . . . . . . . B 28 G N1 . 30452 1 184 . 2 2 12 12 G HO2' H 1 4.54 . . . . . . . B 28 G HO2' . 30452 1 185 . 2 2 13 13 C H1' H 1 5.45 . . . . . . . B 29 C H1' . 30452 1 186 . 2 2 13 13 C H3' H 1 4.29 . . . . . . . B 29 C H3' . 30452 1 187 . 2 2 13 13 C H5 H 1 5.14 . . . . . . . B 29 C H5 . 30452 1 188 . 2 2 13 13 C H5' H 1 4.52 . . . . . . . B 29 C H5' . 30452 1 189 . 2 2 13 13 C H5'' H 1 4.02 . . . . . . . B 29 C H5'' . 30452 1 190 . 2 2 13 13 C H6 H 1 7.42 . . . . . . . B 29 C H6 . 30452 1 191 . 2 2 13 13 C H41 H 1 8.33 . . . . . . . B 29 C H41 . 30452 1 192 . 2 2 13 13 C H42 H 1 6.87 . . . . . . . B 29 C H42 . 30452 1 193 . 2 2 13 13 C C1' C 13 94.17 . . . . . . . B 29 C C1' . 30452 1 194 . 2 2 13 13 C C2' C 13 75.38 . . . . . . . B 29 C C2' . 30452 1 195 . 2 2 13 13 C C3' C 13 72.16 . . . . . . . B 29 C C3' . 30452 1 196 . 2 2 13 13 C C5 C 13 97.16 . . . . . . . B 29 C C5 . 30452 1 197 . 2 2 13 13 C C5' C 13 64.56 . . . . . . . B 29 C C5' . 30452 1 198 . 2 2 13 13 C C6 C 13 140.37 . . . . . . . B 29 C C6 . 30452 1 199 . 2 2 13 13 C HO2' H 1 4.28 . . . . . . . B 29 C HO2' . 30452 1 200 . 2 2 14 14 C H1' H 1 5.66 . . . . . . . B 30 C H1' . 30452 1 201 . 2 2 14 14 C H3' H 1 4.36 . . . . . . . B 30 C H3' . 30452 1 202 . 2 2 14 14 C H4' H 1 4.3 . . . . . . . B 30 C H4' . 30452 1 203 . 2 2 14 14 C H5 H 1 5.47 . . . . . . . B 30 C H5 . 30452 1 204 . 2 2 14 14 C H6 H 1 7.62 . . . . . . . B 30 C H6 . 30452 1 205 . 2 2 14 14 C C1' C 13 93.09 . . . . . . . B 30 C C1' . 30452 1 206 . 2 2 14 14 C C2' C 13 75.97 . . . . . . . B 30 C C2' . 30452 1 207 . 2 2 14 14 C C3' C 13 73.68 . . . . . . . B 30 C C3' . 30452 1 208 . 2 2 14 14 C C4' C 13 82.71 . . . . . . . B 30 C C4' . 30452 1 209 . 2 2 14 14 C C5 C 13 98.23 . . . . . . . B 30 C C5 . 30452 1 210 . 2 2 14 14 C C6 C 13 141.39 . . . . . . . B 30 C C6 . 30452 1 211 . 2 2 14 14 C HO2' H 1 4.35 . . . . . . . B 30 C HO2' . 30452 1 212 . 2 2 15 15 U H1' H 1 5.47 . . . . . . . B 31 U H1' . 30452 1 213 . 2 2 15 15 U H3' H 1 4.41 . . . . . . . B 31 U H3' . 30452 1 214 . 2 2 15 15 U H4' H 1 4.19 . . . . . . . B 31 U H4' . 30452 1 215 . 2 2 15 15 U H5 H 1 5.6 . . . . . . . B 31 U H5 . 30452 1 216 . 2 2 15 15 U H6 H 1 7.62 . . . . . . . B 31 U H6 . 30452 1 217 . 2 2 15 15 U C1' C 13 92.57 . . . . . . . B 31 U C1' . 30452 1 218 . 2 2 15 15 U C2' C 13 75.52 . . . . . . . B 31 U C2' . 30452 1 219 . 2 2 15 15 U C3' C 13 72.03 . . . . . . . B 31 U C3' . 30452 1 220 . 2 2 15 15 U C4' C 13 83.98 . . . . . . . B 31 U C4' . 30452 1 221 . 2 2 15 15 U C5 C 13 104.53 . . . . . . . B 31 U C5 . 30452 1 222 . 2 2 15 15 U C6 C 13 142.21 . . . . . . . B 31 U C6 . 30452 1 223 . 2 2 15 15 U HO2' H 1 4.19 . . . . . . . B 31 U HO2' . 30452 1 224 . 2 2 16 16 G H1' H 1 5.41 . . . . . . . B 32 G H1' . 30452 1 225 . 2 2 16 16 G H3' H 1 4.56 . . . . . . . B 32 G H3' . 30452 1 226 . 2 2 16 16 G H4' H 1 4.1 . . . . . . . B 32 G H4' . 30452 1 227 . 2 2 16 16 G H5' H 1 3.89 . . . . . . . B 32 G H5' . 30452 1 228 . 2 2 16 16 G H5'' H 1 3.99 . . . . . . . B 32 G H5'' . 30452 1 229 . 2 2 16 16 G H8 H 1 7.65 . . . . . . . B 32 G H8 . 30452 1 230 . 2 2 16 16 G C1' C 13 89.57 . . . . . . . B 32 G C1' . 30452 1 231 . 2 2 16 16 G C2' C 13 78.15 . . . . . . . B 32 G C2' . 30452 1 232 . 2 2 16 16 G C3' C 13 72.04 . . . . . . . B 32 G C3' . 30452 1 233 . 2 2 16 16 G C4' C 13 85.27 . . . . . . . B 32 G C4' . 30452 1 234 . 2 2 16 16 G C5' C 13 67.73 . . . . . . . B 32 G C5' . 30452 1 235 . 2 2 16 16 G C8 C 13 140.73 . . . . . . . B 32 G C8 . 30452 1 236 . 2 2 16 16 G HO2' H 1 4.56 . . . . . . . B 32 G HO2' . 30452 1 237 . 2 2 17 17 G H1' H 1 5.66 . . . . . . . B 33 G H1' . 30452 1 238 . 2 2 17 17 G H4' H 1 4.24 . . . . . . . B 33 G H4' . 30452 1 239 . 2 2 17 17 G H8 H 1 7.32 . . . . . . . B 33 G H8 . 30452 1 240 . 2 2 17 17 G C1' C 13 89.59 . . . . . . . B 33 G C1' . 30452 1 241 . 2 2 17 17 G C2' C 13 75.29 . . . . . . . B 33 G C2' . 30452 1 242 . 2 2 17 17 G C4' C 13 84.98 . . . . . . . B 33 G C4' . 30452 1 243 . 2 2 17 17 G C8 C 13 139.63 . . . . . . . B 33 G C8 . 30452 1 244 . 2 2 17 17 G HO2' H 1 4.7 . . . . . . . B 33 G HO2' . 30452 1 245 . 2 2 18 18 G H1' H 1 5.89 . . . . . . . B 34 G H1' . 30452 1 246 . 2 2 18 18 G H4' H 1 4.53 . . . . . . . B 34 G H4' . 30452 1 247 . 2 2 18 18 G H8 H 1 7.9 . . . . . . . B 34 G H8 . 30452 1 248 . 2 2 18 18 G C1' C 13 88.49 . . . . . . . B 34 G C1' . 30452 1 249 . 2 2 18 18 G C2' C 13 75.67 . . . . . . . B 34 G C2' . 30452 1 250 . 2 2 18 18 G C4' C 13 84.7 . . . . . . . B 34 G C4' . 30452 1 251 . 2 2 18 18 G C8 C 13 138.4 . . . . . . . B 34 G C8 . 30452 1 252 . 2 2 18 18 G HO2' H 1 4.86 . . . . . . . B 34 G HO2' . 30452 1 253 . 2 2 19 19 A H1' H 1 6.09 . . . . . . . B 35 A H1' . 30452 1 254 . 2 2 19 19 A H2 H 1 8.16 . . . . . . . B 35 A H2 . 30452 1 255 . 2 2 19 19 A H3' H 1 4.88 . . . . . . . B 35 A H3' . 30452 1 256 . 2 2 19 19 A H4' H 1 4.55 . . . . . . . B 35 A H4' . 30452 1 257 . 2 2 19 19 A H5' H 1 4.34 . . . . . . . B 35 A H5' . 30452 1 258 . 2 2 19 19 A H8 H 1 8.43 . . . . . . . B 35 A H8 . 30452 1 259 . 2 2 19 19 A C1' C 13 89.42 . . . . . . . B 35 A C1' . 30452 1 260 . 2 2 19 19 A C2 C 13 155.53 . . . . . . . B 35 A C2 . 30452 1 261 . 2 2 19 19 A C2' C 13 77.12 . . . . . . . B 35 A C2' . 30452 1 262 . 2 2 19 19 A C3' C 13 76.14 . . . . . . . B 35 A C3' . 30452 1 263 . 2 2 19 19 A C4' C 13 85.93 . . . . . . . B 35 A C4' . 30452 1 264 . 2 2 19 19 A C5' C 13 68.32 . . . . . . . B 35 A C5' . 30452 1 265 . 2 2 19 19 A C8 C 13 142.2 . . . . . . . B 35 A C8 . 30452 1 266 . 2 2 19 19 A HO2' H 1 4.9 . . . . . . . B 35 A HO2' . 30452 1 267 . 2 2 20 20 G H1 H 1 13.08 . . . . . . . B 36 G H1 . 30452 1 268 . 2 2 20 20 G H1' H 1 5.78 . . . . . . . B 36 G H1' . 30452 1 269 . 2 2 20 20 G H3' H 1 4.48 . . . . . . . B 36 G H3' . 30452 1 270 . 2 2 20 20 G H4' H 1 4.52 . . . . . . . B 36 G H4' . 30452 1 271 . 2 2 20 20 G H5' H 1 4.54 . . . . . . . B 36 G H5' . 30452 1 272 . 2 2 20 20 G H5'' H 1 4.39 . . . . . . . B 36 G H5'' . 30452 1 273 . 2 2 20 20 G H8 H 1 7.57 . . . . . . . B 36 G H8 . 30452 1 274 . 2 2 20 20 G H21 H 1 8.77 . . . . . . . B 36 G H21 . 30452 1 275 . 2 2 20 20 G H22 H 1 6.25 . . . . . . . B 36 G H22 . 30452 1 276 . 2 2 20 20 G C1' C 13 92.89 . . . . . . . B 36 G C1' . 30452 1 277 . 2 2 20 20 G C3' C 13 72.14 . . . . . . . B 36 G C3' . 30452 1 278 . 2 2 20 20 G C4' C 13 82.6 . . . . . . . B 36 G C4' . 30452 1 279 . 2 2 20 20 G C5' C 13 64.65 . . . . . . . B 36 G C5' . 30452 1 280 . 2 2 20 20 G C8 C 13 137.01 . . . . . . . B 36 G C8 . 30452 1 281 . 2 2 20 20 G N1 N 15 148.4 . . . . . . . B 36 G N1 . 30452 1 282 . 2 2 21 21 C H1' H 1 5.59 . . . . . . . B 37 C H1' . 30452 1 283 . 2 2 21 21 C H4' H 1 4.44 . . . . . . . B 37 C H4' . 30452 1 284 . 2 2 21 21 C H5 H 1 5.17 . . . . . . . B 37 C H5 . 30452 1 285 . 2 2 21 21 C H5' H 1 4.53 . . . . . . . B 37 C H5' . 30452 1 286 . 2 2 21 21 C H5'' H 1 4.08 . . . . . . . B 37 C H5'' . 30452 1 287 . 2 2 21 21 C H6 H 1 7.84 . . . . . . . B 37 C H6 . 30452 1 288 . 2 2 21 21 C H41 H 1 8.79 . . . . . . . B 37 C H41 . 30452 1 289 . 2 2 21 21 C H42 H 1 6.98 . . . . . . . B 37 C H42 . 30452 1 290 . 2 2 21 21 C C1' C 13 94.13 . . . . . . . B 37 C C1' . 30452 1 291 . 2 2 21 21 C C2' C 13 75.38 . . . . . . . B 37 C C2' . 30452 1 292 . 2 2 21 21 C C4' C 13 82.15 . . . . . . . B 37 C C4' . 30452 1 293 . 2 2 21 21 C C5 C 13 96.9 . . . . . . . B 37 C C5 . 30452 1 294 . 2 2 21 21 C C5' C 13 64.47 . . . . . . . B 37 C C5' . 30452 1 295 . 2 2 21 21 C C6 C 13 141.5 . . . . . . . B 37 C C6 . 30452 1 296 . 2 2 21 21 C HO2' H 1 4.52 . . . . . . . B 37 C HO2' . 30452 1 297 . 2 2 22 22 U H1' H 1 5.67 . . . . . . . B 38 U H1' . 30452 1 298 . 2 2 22 22 U H3 H 1 14.37 . . . . . . . B 38 U H3 . 30452 1 299 . 2 2 22 22 U H3' H 1 4.41 . . . . . . . B 38 U H3' . 30452 1 300 . 2 2 22 22 U H4' H 1 4.36 . . . . . . . B 38 U H4' . 30452 1 301 . 2 2 22 22 U H5 H 1 5.4 . . . . . . . B 38 U H5 . 30452 1 302 . 2 2 22 22 U H5' H 1 4.5 . . . . . . . B 38 U H5' . 30452 1 303 . 2 2 22 22 U H5'' H 1 4.08 . . . . . . . B 38 U H5'' . 30452 1 304 . 2 2 22 22 U H6 H 1 7.71 . . . . . . . B 38 U H6 . 30452 1 305 . 2 2 22 22 U C1' C 13 93.27 . . . . . . . B 38 U C1' . 30452 1 306 . 2 2 22 22 U C2' C 13 75.97 . . . . . . . B 38 U C2' . 30452 1 307 . 2 2 22 22 U C3' C 13 72.8 . . . . . . . B 38 U C3' . 30452 1 308 . 2 2 22 22 U C4' C 13 81.88 . . . . . . . B 38 U C4' . 30452 1 309 . 2 2 22 22 U C5 C 13 103.53 . . . . . . . B 38 U C5 . 30452 1 310 . 2 2 22 22 U C5' C 13 65.08 . . . . . . . B 38 U C5' . 30452 1 311 . 2 2 22 22 U C6 C 13 141.5 . . . . . . . B 38 U C6 . 30452 1 312 . 2 2 22 22 U N3 N 15 162.3 . . . . . . . B 38 U N3 . 30452 1 313 . 2 2 22 22 U HO2' H 1 4.73 . . . . . . . B 38 U HO2' . 30452 1 314 . 2 2 23 23 C H1' H 1 5.12 . . . . . . . B 39 C H1' . 30452 1 315 . 2 2 23 23 C H3' H 1 3.9 . . . . . . . B 39 C H3' . 30452 1 316 . 2 2 23 23 C H4' H 1 4.51 . . . . . . . B 39 C H4' . 30452 1 317 . 2 2 23 23 C H5 H 1 5.55 . . . . . . . B 39 C H5 . 30452 1 318 . 2 2 23 23 C H5' H 1 4.23 . . . . . . . B 39 C H5' . 30452 1 319 . 2 2 23 23 C H5'' H 1 4.06 . . . . . . . B 39 C H5'' . 30452 1 320 . 2 2 23 23 C H6 H 1 7.44 . . . . . . . B 39 C H6 . 30452 1 321 . 2 2 23 23 C H41 H 1 8.43 . . . . . . . B 39 C H41 . 30452 1 322 . 2 2 23 23 C H42 H 1 7.22 . . . . . . . B 39 C H42 . 30452 1 323 . 2 2 23 23 C C1' C 13 95.54 . . . . . . . B 39 C C1' . 30452 1 324 . 2 2 23 23 C C2' C 13 75.62 . . . . . . . B 39 C C2' . 30452 1 325 . 2 2 23 23 C C3' C 13 73.92 . . . . . . . B 39 C C3' . 30452 1 326 . 2 2 23 23 C C4' C 13 82.98 . . . . . . . B 39 C C4' . 30452 1 327 . 2 2 23 23 C C5 C 13 98.89 . . . . . . . B 39 C C5 . 30452 1 328 . 2 2 23 23 C C5' C 13 68.48 . . . . . . . B 39 C C5' . 30452 1 329 . 2 2 23 23 C C6 C 13 140.84 . . . . . . . B 39 C C6 . 30452 1 330 . 2 2 23 23 C HO2' H 1 4.44 . . . . . . . B 39 C HO2' . 30452 1 331 . 2 2 24 24 U H1' H 1 5.43 . . . . . . . B 40 U H1' . 30452 1 332 . 2 2 24 24 U H3 H 1 13.91 . . . . . . . B 40 U H3 . 30452 1 333 . 2 2 24 24 U H3' H 1 4.47 . . . . . . . B 40 U H3' . 30452 1 334 . 2 2 24 24 U H4' H 1 4.32 . . . . . . . B 40 U H4' . 30452 1 335 . 2 2 24 24 U H5 H 1 5.39 . . . . . . . B 40 U H5 . 30452 1 336 . 2 2 24 24 U H5' H 1 4.53 . . . . . . . B 40 U H5' . 30452 1 337 . 2 2 24 24 U H5'' H 1 4.02 . . . . . . . B 40 U H5'' . 30452 1 338 . 2 2 24 24 U H6 H 1 7.9 . . . . . . . B 40 U H6 . 30452 1 339 . 2 2 24 24 U C1' C 13 93.88 . . . . . . . B 40 U C1' . 30452 1 340 . 2 2 24 24 U C2' C 13 74.83 . . . . . . . B 40 U C2' . 30452 1 341 . 2 2 24 24 U C3' C 13 71.78 . . . . . . . B 40 U C3' . 30452 1 342 . 2 2 24 24 U C4' C 13 82.24 . . . . . . . B 40 U C4' . 30452 1 343 . 2 2 24 24 U C5 C 13 102.69 . . . . . . . B 40 U C5 . 30452 1 344 . 2 2 24 24 U C5' C 13 64.07 . . . . . . . B 40 U C5' . 30452 1 345 . 2 2 24 24 U C6 C 13 141.88 . . . . . . . B 40 U C6 . 30452 1 346 . 2 2 24 24 U N3 N 15 162.2 . . . . . . . B 40 U N3 . 30452 1 347 . 2 2 24 24 U HO2' H 1 4.31 . . . . . . . B 40 U HO2' . 30452 1 348 . 2 2 25 25 C H1' H 1 5.42 . . . . . . . B 41 C H1' . 30452 1 349 . 2 2 25 25 C H3' H 1 4.45 . . . . . . . B 41 C H3' . 30452 1 350 . 2 2 25 25 C H5 H 1 5.61 . . . . . . . B 41 C H5 . 30452 1 351 . 2 2 25 25 C H6 H 1 7.9 . . . . . . . B 41 C H6 . 30452 1 352 . 2 2 25 25 C H41 H 1 8.37 . . . . . . . B 41 C H41 . 30452 1 353 . 2 2 25 25 C H42 H 1 7.05 . . . . . . . B 41 C H42 . 30452 1 354 . 2 2 25 25 C C1' C 13 93.8 . . . . . . . B 41 C C1' . 30452 1 355 . 2 2 25 25 C C2' C 13 75.37 . . . . . . . B 41 C C2' . 30452 1 356 . 2 2 25 25 C C3' C 13 71.96 . . . . . . . B 41 C C3' . 30452 1 357 . 2 2 25 25 C C5 C 13 96.96 . . . . . . . B 41 C C5 . 30452 1 358 . 2 2 25 25 C C6 C 13 141.94 . . . . . . . B 41 C C6 . 30452 1 359 . 2 2 25 25 C HO2' H 1 4.22 . . . . . . . B 41 C HO2' . 30452 1 360 . 2 2 26 26 U H1' H 1 5.42 . . . . . . . B 42 U H1' . 30452 1 361 . 2 2 26 26 U H3 H 1 13.56 . . . . . . . B 42 U H3 . 30452 1 362 . 2 2 26 26 U H3' H 1 4.47 . . . . . . . B 42 U H3' . 30452 1 363 . 2 2 26 26 U H4' H 1 4.57 . . . . . . . B 42 U H4' . 30452 1 364 . 2 2 26 26 U H5 H 1 5.32 . . . . . . . B 42 U H5 . 30452 1 365 . 2 2 26 26 U H6 H 1 7.84 . . . . . . . B 42 U H6 . 30452 1 366 . 2 2 26 26 U C1' C 13 93.64 . . . . . . . B 42 U C1' . 30452 1 367 . 2 2 26 26 U C2' C 13 75.34 . . . . . . . B 42 U C2' . 30452 1 368 . 2 2 26 26 U C3' C 13 71.9 . . . . . . . B 42 U C3' . 30452 1 369 . 2 2 26 26 U C4' C 13 82 . . . . . . . B 42 U C4' . 30452 1 370 . 2 2 26 26 U C5 C 13 103.35 . . . . . . . B 42 U C5 . 30452 1 371 . 2 2 26 26 U C6 C 13 141.8 . . . . . . . B 42 U C6 . 30452 1 372 . 2 2 26 26 U N3 N 15 162.1 . . . . . . . B 42 U N3 . 30452 1 373 . 2 2 26 26 U HO2' H 1 4.53 . . . . . . . B 42 U HO2' . 30452 1 374 . 2 2 27 27 G H1 H 1 12.44 . . . . . . . B 43 G H1 . 30452 1 375 . 2 2 27 27 G H1' H 1 5.72 . . . . . . . B 43 G H1' . 30452 1 376 . 2 2 27 27 G H3' H 1 4.56 . . . . . . . B 43 G H3' . 30452 1 377 . 2 2 27 27 G H4' H 1 4.44 . . . . . . . B 43 G H4' . 30452 1 378 . 2 2 27 27 G H8 H 1 7.71 . . . . . . . B 43 G H8 . 30452 1 379 . 2 2 27 27 G H21 H 1 8.11 . . . . . . . B 43 G H21 . 30452 1 380 . 2 2 27 27 G H22 H 1 5.98 . . . . . . . B 43 G H22 . 30452 1 381 . 2 2 27 27 G C1' C 13 92.89 . . . . . . . B 43 G C1' . 30452 1 382 . 2 2 27 27 G C2' C 13 75.35 . . . . . . . B 43 G C2' . 30452 1 383 . 2 2 27 27 G C3' C 13 72.8 . . . . . . . B 43 G C3' . 30452 1 384 . 2 2 27 27 G C4' C 13 81.93 . . . . . . . B 43 G C4' . 30452 1 385 . 2 2 27 27 G C8 C 13 136.38 . . . . . . . B 43 G C8 . 30452 1 386 . 2 2 27 27 G N1 N 15 147.5 . . . . . . . B 43 G N1 . 30452 1 387 . 2 2 27 27 G HO2' H 1 4.45 . . . . . . . B 43 G HO2' . 30452 1 388 . 2 2 28 28 C H1' H 1 5.45 . . . . . . . B 44 C H1' . 30452 1 389 . 2 2 28 28 C H3' H 1 4.4 . . . . . . . B 44 C H3' . 30452 1 390 . 2 2 28 28 C H5 H 1 5.15 . . . . . . . B 44 C H5 . 30452 1 391 . 2 2 28 28 C H6 H 1 7.63 . . . . . . . B 44 C H6 . 30452 1 392 . 2 2 28 28 C H41 H 1 8.47 . . . . . . . B 44 C H41 . 30452 1 393 . 2 2 28 28 C H42 H 1 6.85 . . . . . . . B 44 C H42 . 30452 1 394 . 2 2 28 28 C C1' C 13 94.29 . . . . . . . B 44 C C1' . 30452 1 395 . 2 2 28 28 C C2' C 13 75.69 . . . . . . . B 44 C C2' . 30452 1 396 . 2 2 28 28 C C3' C 13 72.05 . . . . . . . B 44 C C3' . 30452 1 397 . 2 2 28 28 C C5 C 13 96.98 . . . . . . . B 44 C C5 . 30452 1 398 . 2 2 28 28 C C6 C 13 141.23 . . . . . . . B 44 C C6 . 30452 1 399 . 2 2 28 28 C HO2' H 1 4.19 . . . . . . . B 44 C HO2' . 30452 1 400 . 2 2 29 29 C H1' H 1 5.73 . . . . . . . B 45 C H1' . 30452 1 401 . 2 2 29 29 C H3' H 1 4.14 . . . . . . . B 45 C H3' . 30452 1 402 . 2 2 29 29 C H4' H 1 4.12 . . . . . . . B 45 C H4' . 30452 1 403 . 2 2 29 29 C H5 H 1 5.47 . . . . . . . B 45 C H5 . 30452 1 404 . 2 2 29 29 C H5' H 1 4.43 . . . . . . . B 45 C H5' . 30452 1 405 . 2 2 29 29 C H5'' H 1 4 . . . . . . . B 45 C H5'' . 30452 1 406 . 2 2 29 29 C H6 H 1 7.63 . . . . . . . B 45 C H6 . 30452 1 407 . 2 2 29 29 C C1' C 13 92.77 . . . . . . . B 45 C C1' . 30452 1 408 . 2 2 29 29 C C2' C 13 77.56 . . . . . . . B 45 C C2' . 30452 1 409 . 2 2 29 29 C C3' C 13 69.68 . . . . . . . B 45 C C3' . 30452 1 410 . 2 2 29 29 C C4' C 13 83.43 . . . . . . . B 45 C C4' . 30452 1 411 . 2 2 29 29 C C5 C 13 98.23 . . . . . . . B 45 C C5 . 30452 1 412 . 2 2 29 29 C C5' C 13 65.1 . . . . . . . B 45 C C5' . 30452 1 413 . 2 2 29 29 C C6 C 13 141.88 . . . . . . . B 45 C C6 . 30452 1 414 . 2 2 29 29 C HO2' H 1 3.96 . . . . . . . B 45 C HO2' . 30452 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30452 _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 $chem_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-15N HSQC' . . . 30452 2 2 '2D 1H-1H TOCSY' . . . 30452 2 3 '2D 1H-1H NOESY' . . . 30452 2 4 '2D 1H-1H NOESY' . . . 30452 2 5 '2D 1H-13C HSQC' . . . 30452 2 6 '3D 1H-15N NOESY' . . . 30452 2 7 '3D 1H-13C NOESY' . . . 30452 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.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 DAB H H 1 7.7 . . . . . . . A 1 DAB H1 . 30452 2 2 . 1 1 1 1 DAB HA H 1 4.551 . . . . . . . A 1 DAB HA . 30452 2 3 . 1 1 1 1 DAB HB2 H 1 2.11 . . . . . . . A 1 DAB HB2 . 30452 2 4 . 1 1 1 1 DAB HB3 H 1 2.17 . . . . . . . A 1 DAB HB3 . 30452 2 5 . 1 1 1 1 DAB HD1 H 1 7.97 . . . . . . . A 1 DAB HD1 . 30452 2 6 . 1 1 1 1 DAB HD2 H 1 7.97 . . . . . . . A 1 DAB HD2 . 30452 2 7 . 1 1 1 1 DAB HD3 H 1 7.97 . . . . . . . A 1 DAB HD3 . 30452 2 8 . 1 1 1 1 DAB HG2 H 1 2.85 . . . . . . . A 1 DAB HG2 . 30452 2 9 . 1 1 1 1 DAB HG3 H 1 3.02 . . . . . . . A 1 DAB HG3 . 30452 2 10 . 1 1 2 2 VAL H H 1 8.71 . . . . . . . A 2 VAL H . 30452 2 11 . 1 1 2 2 VAL HA H 1 4.875 . . . . . . . A 2 VAL HA . 30452 2 12 . 1 1 2 2 VAL HB H 1 1.92 . . . . . . . A 2 VAL HB . 30452 2 13 . 1 1 2 2 VAL HG11 H 1 0.72 . . . . . . . A 2 VAL HG11 . 30452 2 14 . 1 1 2 2 VAL HG12 H 1 0.72 . . . . . . . A 2 VAL HG12 . 30452 2 15 . 1 1 2 2 VAL HG13 H 1 0.72 . . . . . . . A 2 VAL HG13 . 30452 2 16 . 1 1 3 3 ARG H H 1 8.57 . . . . . . . A 3 ARG H . 30452 2 17 . 1 1 3 3 ARG HA H 1 4.75 . . . . . . . A 3 ARG HA . 30452 2 18 . 1 1 3 3 ARG HB2 H 1 1.987 . . . . . . . A 3 ARG HB2 . 30452 2 19 . 1 1 3 3 ARG HB3 H 1 1.689 . . . . . . . A 3 ARG HB3 . 30452 2 20 . 1 1 3 3 ARG HG2 H 1 1.512 . . . . . . . A 3 ARG HG2 . 30452 2 21 . 1 1 3 3 ARG HG3 H 1 1.459 . . . . . . . A 3 ARG HG3 . 30452 2 22 . 1 1 3 3 ARG HE H 1 7.13 . . . . . . . A 3 ARG HE . 30452 2 23 . 1 1 4 4 THR H H 1 7.94 . . . . . . . A 4 THR H . 30452 2 24 . 1 1 4 4 THR HA H 1 5.02 . . . . . . . A 4 THR HA . 30452 2 25 . 1 1 4 4 THR HB H 1 3.925 . . . . . . . A 4 THR HB . 30452 2 26 . 1 1 4 4 THR HG21 H 1 0.98 . . . . . . . A 4 THR HG21 . 30452 2 27 . 1 1 4 4 THR HG22 H 1 0.98 . . . . . . . A 4 THR HG22 . 30452 2 28 . 1 1 4 4 THR HG23 H 1 0.98 . . . . . . . A 4 THR HG23 . 30452 2 29 . 1 1 5 5 ARG H H 1 8.98 . . . . . . . A 5 ARG H . 30452 2 30 . 1 1 5 5 ARG HA H 1 4.36 . . . . . . . A 5 ARG HA . 30452 2 31 . 1 1 5 5 ARG HB3 H 1 1.685 . . . . . . . A 5 ARG HB3 . 30452 2 32 . 1 1 5 5 ARG HG2 H 1 1.185 . . . . . . . A 5 ARG HG2 . 30452 2 33 . 1 1 5 5 ARG HG3 H 1 1.28 . . . . . . . A 5 ARG HG3 . 30452 2 34 . 1 1 5 5 ARG HD2 H 1 3.065 . . . . . . . A 5 ARG HD2 . 30452 2 35 . 1 1 5 5 ARG HE H 1 6.52 . . . . . . . A 5 ARG HE . 30452 2 36 . 1 1 6 6 LYS H H 1 9.54 . . . . . . . A 6 LYS H . 30452 2 37 . 1 1 6 6 LYS HA H 1 3.72 . . . . . . . A 6 LYS HA . 30452 2 38 . 1 1 6 6 LYS HB2 H 1 1.777 . . . . . . . A 6 LYS HB2 . 30452 2 39 . 1 1 6 6 LYS HG2 H 1 1.305 . . . . . . . A 6 LYS HG2 . 30452 2 40 . 1 1 6 6 LYS HG3 H 1 1.215 . . . . . . . A 6 LYS HG3 . 30452 2 41 . 1 1 6 6 LYS HD2 H 1 1.616 . . . . . . . A 6 LYS HD2 . 30452 2 42 . 1 1 6 6 LYS HD3 H 1 1.524 . . . . . . . A 6 LYS HD3 . 30452 2 43 . 1 1 6 6 LYS HE2 H 1 2.944 . . . . . . . A 6 LYS HE2 . 30452 2 44 . 1 1 6 6 LYS HE3 H 1 2.944 . . . . . . . A 6 LYS HE3 . 30452 2 45 . 1 1 6 6 LYS HZ1 H 1 7.56 . . . . . . . A 6 LYS HZ1 . 30452 2 46 . 1 1 6 6 LYS HZ2 H 1 7.56 . . . . . . . A 6 LYS HZ2 . 30452 2 47 . 1 1 6 6 LYS HZ3 H 1 7.56 . . . . . . . A 6 LYS HZ3 . 30452 2 48 . 1 1 7 7 GLY H H 1 8.77 . . . . . . . A 7 GLY H . 30452 2 49 . 1 1 7 7 GLY HA2 H 1 4.1 . . . . . . . A 7 GLY HA2 . 30452 2 50 . 1 1 7 7 GLY HA3 H 1 3.483 . . . . . . . A 7 GLY HA3 . 30452 2 51 . 1 1 8 8 ARG H H 1 7.75 . . . . . . . A 8 ARG H . 30452 2 52 . 1 1 8 8 ARG HA H 1 4.52 . . . . . . . A 8 ARG HA . 30452 2 53 . 1 1 8 8 ARG HB2 H 1 1.841 . . . . . . . A 8 ARG HB2 . 30452 2 54 . 1 1 8 8 ARG HB3 H 1 1.752 . . . . . . . A 8 ARG HB3 . 30452 2 55 . 1 1 8 8 ARG HG2 H 1 1.573 . . . . . . . A 8 ARG HG2 . 30452 2 56 . 1 1 8 8 ARG HG3 H 1 1.545 . . . . . . . A 8 ARG HG3 . 30452 2 57 . 1 1 8 8 ARG HD2 H 1 2.935 . . . . . . . A 8 ARG HD2 . 30452 2 58 . 1 1 8 8 ARG HE H 1 7.18 . . . . . . . A 8 ARG HE . 30452 2 59 . 1 1 9 9 ARG H H 1 8.72 . . . . . . . A 9 ARG H . 30452 2 60 . 1 1 9 9 ARG HA H 1 4.69 . . . . . . . A 9 ARG HA . 30452 2 61 . 1 1 9 9 ARG HB2 H 1 1.718 . . . . . . . A 9 ARG HB2 . 30452 2 62 . 1 1 9 9 ARG HB3 H 1 1.602 . . . . . . . A 9 ARG HB3 . 30452 2 63 . 1 1 9 9 ARG HG2 H 1 1.492 . . . . . . . A 9 ARG HG2 . 30452 2 64 . 1 1 9 9 ARG HD2 H 1 3.06 . . . . . . . A 9 ARG HD2 . 30452 2 65 . 1 1 10 10 ILE H H 1 8.89 . . . . . . . A 10 ILE H . 30452 2 66 . 1 1 10 10 ILE HA H 1 4.479 . . . . . . . A 10 ILE HA . 30452 2 67 . 1 1 10 10 ILE HB H 1 1.627 . . . . . . . A 10 ILE HB . 30452 2 68 . 1 1 10 10 ILE HG12 H 1 1.225 . . . . . . . A 10 ILE HG12 . 30452 2 69 . 1 1 10 10 ILE HG13 H 1 1.225 . . . . . . . A 10 ILE HG13 . 30452 2 70 . 1 1 10 10 ILE HG21 H 1 0.7599 . . . . . . . A 10 ILE HG21 . 30452 2 71 . 1 1 10 10 ILE HG22 H 1 0.7599 . . . . . . . A 10 ILE HG22 . 30452 2 72 . 1 1 10 10 ILE HG23 H 1 0.7599 . . . . . . . A 10 ILE HG23 . 30452 2 73 . 1 1 10 10 ILE HD11 H 1 0.6637 . . . . . . . A 10 ILE HD11 . 30452 2 74 . 1 1 10 10 ILE HD12 H 1 0.6637 . . . . . . . A 10 ILE HD12 . 30452 2 75 . 1 1 10 10 ILE HD13 H 1 0.6637 . . . . . . . A 10 ILE HD13 . 30452 2 76 . 1 1 11 11 4J5 H H 1 8.72 . . . . . . . A 11 4J5 H . 30452 2 77 . 1 1 11 11 4J5 HA H 1 4.74 . . . . . . . A 11 4J5 HA . 30452 2 78 . 1 1 11 11 4J5 HB2 H 1 1.999 . . . . . . . A 11 4J5 HB2 . 30452 2 79 . 1 1 11 11 4J5 HB3 H 1 1.934 . . . . . . . A 11 4J5 HB3 . 30452 2 80 . 1 1 11 11 4J5 HD H 1 6.79 . . . . . . . A 11 4J5 HD . 30452 2 81 . 1 1 11 11 4J5 HG2 H 1 2.951 . . . . . . . A 11 4J5 HG2 . 30452 2 82 . 1 1 11 11 4J5 HG3 H 1 2.866 . . . . . . . A 11 4J5 HG3 . 30452 2 83 . 1 1 12 12 ILE H H 1 8.64 . . . . . . . A 12 ILE H . 30452 2 84 . 1 1 12 12 ILE HA H 1 4.86 . . . . . . . A 12 ILE HA . 30452 2 85 . 1 1 12 12 ILE HB H 1 1.699 . . . . . . . A 12 ILE HB . 30452 2 86 . 1 1 12 12 ILE HG12 H 1 1.245 . . . . . . . A 12 ILE HG12 . 30452 2 87 . 1 1 12 12 ILE HG13 H 1 1.071 . . . . . . . A 12 ILE HG13 . 30452 2 88 . 1 1 12 12 ILE HG21 H 1 0.8056 . . . . . . . A 12 ILE HG21 . 30452 2 89 . 1 1 12 12 ILE HG22 H 1 0.8056 . . . . . . . A 12 ILE HG22 . 30452 2 90 . 1 1 12 12 ILE HG23 H 1 0.8056 . . . . . . . A 12 ILE HG23 . 30452 2 91 . 1 1 12 12 ILE HD11 H 1 0.6893 . . . . . . . A 12 ILE HD11 . 30452 2 92 . 1 1 12 12 ILE HD12 H 1 0.6893 . . . . . . . A 12 ILE HD12 . 30452 2 93 . 1 1 12 12 ILE HD13 H 1 0.6893 . . . . . . . A 12 ILE HD13 . 30452 2 94 . 1 1 13 13 DPR HA H 1 4.541 . . . . . . . A 13 DPR HA . 30452 2 95 . 1 1 13 13 DPR HB2 H 1 2.324 . . . . . . . A 13 DPR HB2 . 30452 2 96 . 1 1 13 13 DPR HB3 H 1 2.121 . . . . . . . A 13 DPR HB3 . 30452 2 97 . 1 1 13 13 DPR HD2 H 1 3.91 . . . . . . . A 13 DPR HD2 . 30452 2 98 . 1 1 13 13 DPR HD3 H 1 3.443 . . . . . . . A 13 DPR HD3 . 30452 2 99 . 1 1 13 13 DPR HG2 H 1 2.066 . . . . . . . A 13 DPR HG2 . 30452 2 100 . 1 1 13 13 DPR HG3 H 1 1.888 . . . . . . . A 13 DPR HG3 . 30452 2 101 . 1 1 14 14 PRO HA H 1 4.327 . . . . . . . A 14 PRO HA . 30452 2 102 . 1 1 14 14 PRO HB2 H 1 2.301 . . . . . . . A 14 PRO HB2 . 30452 2 103 . 1 1 14 14 PRO HB3 H 1 2.114 . . . . . . . A 14 PRO HB3 . 30452 2 104 . 1 1 14 14 PRO HG2 H 1 2.042 . . . . . . . A 14 PRO HG2 . 30452 2 105 . 1 1 14 14 PRO HD2 H 1 3.971 . . . . . . . A 14 PRO HD2 . 30452 2 106 . 1 1 14 14 PRO HD3 H 1 3.748 . . . . . . . A 14 PRO HD3 . 30452 2 stop_ save_