###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6652
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6652 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 10.677 0.011 . 1 . . . . 1 GUA H1 . 6652 1
2 . 1 1 1 1 G H1' H 1 5.833 0.002 . 1 . . . . 1 GUA H1' . 6652 1
3 . 1 1 1 1 G H2' H 1 4.955 0.001 . 1 . . . . 1 GUA H2' . 6652 1
4 . 1 1 1 1 G H21 H 1 6.447 0.000 . 1 . . . . 1 GUA H21 . 6652 1
5 . 1 1 1 1 G H22 H 1 6.451 0.000 . 1 . . . . 1 GUA H21-2 . 6652 1
6 . 1 1 1 1 G H3' H 1 4.763 0.002 . 1 . . . . 1 GUA H3' . 6652 1
7 . 1 1 1 1 G H4' H 1 4.532 0.001 . 1 . . . . 1 GUA H4' . 6652 1
8 . 1 1 1 1 G H8 H 1 8.182 0.011 . 1 . . . . 1 GUA H8 . 6652 1
9 . 1 1 1 1 G N1 N 15 144.355 0.000 . 1 . . . . 1 GUA N1 . 6652 1
10 . 1 1 2 2 G C1' C 13 91.566 0.039 . 1 . . . . 2 GUA C1' . 6652 1
11 . 1 1 2 2 G H1 H 1 12.818 0.014 . 1 . . . . 2 GUA H1 . 6652 1
12 . 1 1 2 2 G H1' H 1 5.833 0.015 . 1 . . . . 2 GUA H1' . 6652 1
13 . 1 1 2 2 G H2' H 1 4.661 0.001 . 1 . . . . 2 GUA H2' . 6652 1
14 . 1 1 2 2 G H8 H 1 7.611 0.005 . 1 . . . . 2 GUA H8 . 6652 1
15 . 1 1 2 2 G N1 N 15 147.238 0.000 . 1 . . . . 2 GUA N1 . 6652 1
16 . 1 1 3 3 G C1' C 13 91.962 0.000 . 1 . . . . 3 GUA C1' . 6652 1
17 . 1 1 3 3 G C8 C 13 135.924 0.000 . 1 . . . . 3 GUA C8 . 6652 1
18 . 1 1 3 3 G H1 H 1 12.331 0.010 . 1 . . . . 3 GUA H1 . 6652 1
19 . 1 1 3 3 G H1' H 1 5.724 0.008 . 1 . . . . 3 GUA H1' . 6652 1
20 . 1 1 3 3 G H2' H 1 4.535 0.002 . 1 . . . . 3 GUA H2' . 6652 1
21 . 1 1 3 3 G H8 H 1 7.215 0.017 . 1 . . . . 3 GUA H8 . 6652 1
22 . 1 1 3 3 G N1 N 15 146.910 0.000 . 1 . . . . 3 GUA N1 . 6652 1
23 . 1 1 4 4 A C1' C 13 92.155 0.000 . 1 . . . . 4 ADE C1' . 6652 1
24 . 1 1 4 4 A C2 C 13 153.900 0.000 . 1 . . . . 4 ADE C2 . 6652 1
25 . 1 1 4 4 A H1' H 1 5.877 0.002 . 1 . . . . 4 ADE H1' . 6652 1
26 . 1 1 4 4 A H2 H 1 7.736 0.024 . 1 . . . . 4 ADE H2 . 6652 1
27 . 1 1 4 4 A H2' H 1 4.433 0.001 . 1 . . . . 4 ADE H2' . 6652 1
28 . 1 1 4 4 A H61 H 1 7.909 0.004 . 1 . . . . 4 ADE H61 . 6652 1
29 . 1 1 4 4 A H62 H 1 6.275 0.008 . 1 . . . . 4 ADE H62 . 6652 1
30 . 1 1 4 4 A H8 H 1 7.538 0.000 . 1 . . . . 4 ADE H8 . 6652 1
31 . 1 1 5 5 U C1' C 13 92.612 0.000 . 1 . . . . 5 URI C1' . 6652 1
32 . 1 1 5 5 U C5 C 13 101.182 0.000 . 1 . . . . 5 URI C5 . 6652 1
33 . 1 1 5 5 U C6 C 13 140.755 0.000 . 1 . . . . 5 URI C6 . 6652 1
34 . 1 1 5 5 U H1' H 1 5.429 0.008 . 1 . . . . 5 URI H1' . 6652 1
35 . 1 1 5 5 U H2' H 1 4.679 0.008 . 1 . . . . 5 URI H2' . 6652 1
36 . 1 1 5 5 U H3 H 1 11.563 0.007 . 1 . . . . 5 URI H3 . 6652 1
37 . 1 1 5 5 U H5 H 1 4.799 0.013 . 1 . . . . 5 URI H5 . 6652 1
38 . 1 1 5 5 U H6 H 1 7.350 0.002 . 1 . . . . 5 URI H6 . 6652 1
39 . 1 1 5 5 U N3 N 15 156.584 0.000 . 1 . . . . 5 URI N3 . 6652 1
40 . 1 1 6 6 A C1' C 13 85.611 0.000 . 1 . . . . 6 ADE C1' . 6652 1
41 . 1 1 6 6 A C2 C 13 154.989 0.000 . 1 . . . . 6 ADE C2 . 6652 1
42 . 1 1 6 6 A C8 C 13 140.096 0.000 . 1 . . . . 6 ADE C8 . 6652 1
43 . 1 1 6 6 A H1' H 1 5.956 0.002 . 1 . . . . 6 ADE H1' . 6652 1
44 . 1 1 6 6 A H2 H 1 7.612 0.020 . 1 . . . . 6 ADE H2 . 6652 1
45 . 1 1 6 6 A H2' H 1 5.026 0.025 . 1 . . . . 6 ADE H2' . 6652 1
46 . 1 1 6 6 A H3' H 1 5.028 0.026 . 1 . . . . 6 ADE H3' . 6652 1
47 . 1 1 6 6 A H4' H 1 4.688 0.000 . 1 . . . . 6 ADE H4' . 6652 1
48 . 1 1 6 6 A H61 H 1 9.070 0.003 . 1 . . . . 6 ADE H61 . 6652 1
49 . 1 1 6 6 A H62 H 1 6.811 0.018 . 1 . . . . 6 ADE H62 . 6652 1
50 . 1 1 6 6 A H8 H 1 8.041 0.001 . 1 . . . . 6 ADE H8 . 6652 1
51 . 1 1 7 7 U C1' C 13 91.183 0.000 . 1 . . . . 7 URI C1' . 6652 1
52 . 1 1 7 7 U C5 C 13 104.041 0.010 . 1 . . . . 7 URI C5 . 6652 1
53 . 1 1 7 7 U C6 C 13 145.025 0.000 . 1 . . . . 7 URI C6 . 6652 1
54 . 1 1 7 7 U H1' H 1 6.130 0.017 . 1 . . . . 7 URI H1' . 6652 1
55 . 1 1 7 7 U H2' H 1 4.858 0.003 . 1 . . . . 7 URI H2' . 6652 1
56 . 1 1 7 7 U H3' H 1 5.014 0.002 . 1 . . . . 7 URI H3' . 6652 1
57 . 1 1 7 7 U H5 H 1 6.058 0.011 . 1 . . . . 7 URI H5 . 6652 1
58 . 1 1 7 7 U H6 H 1 8.077 0.006 . 1 . . . . 7 URI H6 . 6652 1
59 . 1 1 8 8 G C1' C 13 90.520 0.000 . 1 . . . . 8 GUA C1' . 6652 1
60 . 1 1 8 8 G C8 C 13 136.652 0.000 . 1 . . . . 8 GUA C8 . 6652 1
61 . 1 1 8 8 G H1 H 1 12.389 0.004 . 1 . . . . 8 GUA H1 . 6652 1
62 . 1 1 8 8 G H1' H 1 6.116 0.006 . 1 . . . . 8 GUA H1' . 6652 1
63 . 1 1 8 8 G H2' H 1 5.015 0.002 . 1 . . . . 8 GUA H2' . 6652 1
64 . 1 1 8 8 G H21 H 1 8.870 0.003 . 1 . . . . 8 GUA H21 . 6652 1
65 . 1 1 8 8 G H22 H 1 8.313 0.002 . 1 . . . . 8 GUA H22 . 6652 1
66 . 1 1 8 8 G H8 H 1 7.572 0.017 . 1 . . . . 8 GUA H8 . 6652 1
67 . 1 1 8 8 G N1 N 15 146.561 0.000 . 1 . . . . 8 GUA N1 . 6652 1
68 . 1 1 9 9 G C1' C 13 89.215 0.000 . 1 . . . . 9 GUA C1' . 6652 1
69 . 1 1 9 9 G C8 C 13 136.141 0.000 . 1 . . . . 9 GUA C8 . 6652 1
70 . 1 1 9 9 G H1 H 1 12.699 0.011 . 1 . . . . 9 GUA H1 . 6652 1
71 . 1 1 9 9 G H1' H 1 5.665 0.021 . 1 . . . . 9 GUA H1' . 6652 1
72 . 1 1 9 9 G H2' H 1 4.388 0.009 . 1 . . . . 9 GUA H2' . 6652 1
73 . 1 1 9 9 G H21 H 1 8.013 0.000 . 1 . . . . 9 GUA H21 . 6652 1
74 . 1 1 9 9 G H22 H 1 5.924 0.000 . 1 . . . . 9 GUA H22 . 6652 1
75 . 1 1 9 9 G H8 H 1 6.809 0.017 . 1 . . . . 9 GUA H8 . 6652 1
76 . 1 1 9 9 G N1 N 15 147.980 0.000 . 1 . . . . 9 GUA N1 . 6652 1
77 . 1 1 10 10 A C1' C 13 92.028 0.000 . 1 . . . . 10 ADE C1' . 6652 1
78 . 1 1 10 10 A C2 C 13 152.915 0.000 . 1 . . . . 10 ADE C2 . 6652 1
79 . 1 1 10 10 A C8 C 13 138.961 0.000 . 1 . . . . 10 ADE C8 . 6652 1
80 . 1 1 10 10 A H1' H 1 6.028 0.001 . 1 . . . . 10 ADE H1' . 6652 1
81 . 1 1 10 10 A H2 H 1 7.096 0.004 . 1 . . . . 10 ADE H2 . 6652 1
82 . 1 1 10 10 A H2' H 1 4.567 0.001 . 1 . . . . 10 ADE H2' . 6652 1
83 . 1 1 10 10 A H61 H 1 7.830 0.005 . 1 . . . . 10 ADE H61 . 6652 1
84 . 1 1 10 10 A H62 H 1 6.406 0.019 . 1 . . . . 10 ADE H62 . 6652 1
85 . 1 1 10 10 A H8 H 1 7.795 0.012 . 1 . . . . 10 ADE H8 . 6652 1
86 . 1 1 11 11 A C1' C 13 92.119 0.000 . 1 . . . . 11 ADE C1' . 6652 1
87 . 1 1 11 11 A C2 C 13 152.945 0.005 . 1 . . . . 11 ADE C2 . 6652 1
88 . 1 1 11 11 A C8 C 13 138.987 0.000 . 1 . . . . 11 ADE C8 . 6652 1
89 . 1 1 11 11 A H1' H 1 5.903 0.004 . 1 . . . . 11 ADE H1' . 6652 1
90 . 1 1 11 11 A H2 H 1 7.343 0.020 . 1 . . . . 11 ADE H2 . 6652 1
91 . 1 1 11 11 A H2' H 1 4.557 0.001 . 1 . . . . 11 ADE H2' . 6652 1
92 . 1 1 11 11 A H61 H 1 7.896 0.008 . 1 . . . . 11 ADE H61 . 6652 1
93 . 1 1 11 11 A H62 H 1 6.444 0.015 . 1 . . . . 11 ADE H62 . 6652 1
94 . 1 1 11 11 A H8 H 1 7.722 0.028 . 1 . . . . 11 ADE H8 . 6652 1
95 . 1 1 12 12 G C8 C 13 135.678 0.000 . 1 . . . . 12 GUA C8 . 6652 1
96 . 1 1 12 12 G H1 H 1 12.566 0.004 . 1 . . . . 12 GUA H1 . 6652 1
97 . 1 1 12 12 G H1' H 1 5.589 0.011 . 1 . . . . 12 GUA H1' . 6652 1
98 . 1 1 12 12 G H2' H 1 4.384 0.017 . 1 . . . . 12 GUA H2' . 6652 1
99 . 1 1 12 12 G H21 H 1 7.895 0.000 . 1 . . . . 12 GUA H21 . 6652 1
100 . 1 1 12 12 G H22 H 1 6.015 0.000 . 1 . . . . 12 GUA H22 . 6652 1
101 . 1 1 12 12 G H8 H 1 7.155 0.014 . 1 . . . . 12 GUA H8 . 6652 1
102 . 1 1 12 12 G N1 N 15 146.782 0.000 . 1 . . . . 12 GUA N1 . 6652 1
103 . 1 1 13 13 A C1' C 13 89.775 0.000 . 1 . . . . 13 ADE C1' . 6652 1
104 . 1 1 13 13 A C2 C 13 152.941 0.015 . 1 . . . . 13 ADE C2 . 6652 1
105 . 1 1 13 13 A H1' H 1 5.848 0.005 . 1 . . . . 13 ADE H1' . 6652 1
106 . 1 1 13 13 A H2 H 1 7.159 0.016 . 1 . . . . 13 ADE H2 . 6652 1
107 . 1 1 13 13 A H2' H 1 4.370 0.001 . 1 . . . . 13 ADE H2' . 6652 1
108 . 1 1 13 13 A H61 H 1 8.002 0.004 . 1 . . . . 13 ADE H61 . 6652 1
109 . 1 1 13 13 A H62 H 1 6.418 0.000 . 1 . . . . 13 ADE H62 . 6652 1
110 . 1 1 13 13 A H8 H 1 7.704 0.018 . 1 . . . . 13 ADE H8 . 6652 1
111 . 1 1 13 13 A C8 C 13 138.996 0.000 . 1 . . . . 13 ADE C8 . 6652 1
112 . 1 1 14 14 A C1' C 13 90.527 0.000 . 1 . . . . 14 ADE C1' . 6652 1
113 . 1 1 14 14 A C2 C 13 153.900 0.000 . 1 . . . . 14 ADE C2 . 6652 1
114 . 1 1 14 14 A C8 C 13 138.786 0.000 . 1 . . . . 14 ADE C8 . 6652 1
115 . 1 1 14 14 A H1' H 1 5.928 0.001 . 1 . . . . 14 ADE H1' . 6652 1
116 . 1 1 14 14 A H2 H 1 7.735 0.027 . 1 . . . . 14 ADE H2 . 6652 1
117 . 1 1 14 14 A H2' H 1 4.299 0.000 . 1 . . . . 14 ADE H2' . 6652 1
118 . 1 1 14 14 A H61 H 1 8.266 0.000 . 1 . . . . 14 ADE H61 . 6652 1
119 . 1 1 14 14 A H62 H 1 6.536 0.000 . 1 . . . . 14 ADE H62 . 6652 1
120 . 1 1 14 14 A H8 H 1 7.848 0.030 . 1 . . . . 14 ADE H8 . 6652 1
121 . 1 1 15 15 C C1' C 13 92.349 0.000 . 1 . . . . 15 CYT C1' . 6652 1
122 . 1 1 15 15 C C5 C 13 95.878 0.000 . 1 . . . . 15 CYT C5 . 6652 1
123 . 1 1 15 15 C C6 C 13 141.404 0.000 . 1 . . . . 15 CYT C6 . 6652 1
124 . 1 1 15 15 C H1' H 1 5.388 0.001 . 1 . . . . 15 CYT H1' . 6652 1
125 . 1 1 15 15 C H2' H 1 4.089 0.003 . 1 . . . . 15 CYT H2' . 6652 1
126 . 1 1 15 15 C H41 H 1 8.290 0.000 . 1 . . . . 15 CYT H41 . 6652 1
127 . 1 1 15 15 C H42 H 1 6.924 0.002 . 1 . . . . 15 CYT H42 . 6652 1
128 . 1 1 15 15 C H5 H 1 5.173 0.003 . 1 . . . . 15 CYT H5 . 6652 1
129 . 1 1 15 15 C H6 H 1 7.493 0.020 . 1 . . . . 15 CYT H6 . 6652 1
130 . 1 1 16 16 C C5 C 13 96.169 0.000 . 1 . . . . 16 CYT C5 . 6652 1
131 . 1 1 16 16 C C6 C 13 141.398 0.000 . 1 . . . . 16 CYT C6 . 6652 1
132 . 1 1 16 16 C H1' H 1 5.593 0.004 . 1 . . . . 16 CYT H1' . 6652 1
133 . 1 1 16 16 C H2' H 1 4.538 0.002 . 1 . . . . 16 CYT H2' . 6652 1
134 . 1 1 16 16 C H41 H 1 8.441 0.000 . 1 . . . . 16 CYT H41 . 6652 1
135 . 1 1 16 16 C H42 H 1 6.749 0.000 . 1 . . . . 16 CYT H42 . 6652 1
136 . 1 1 16 16 C H5 H 1 5.432 0.004 . 1 . . . . 16 CYT H5 . 6652 1
137 . 1 1 16 16 C H6 H 1 7.668 0.002 . 1 . . . . 16 CYT H6 . 6652 1
138 . 1 1 17 17 G C1' C 13 91.822 0.000 . 1 . . . . 17 GUA C1' . 6652 1
139 . 1 1 17 17 G H1 H 1 10.321 0.003 . 1 . . . . 17 GUA H1 . 6652 1
140 . 1 1 17 17 G H1' H 1 5.734 0.007 . 1 . . . . 17 GUA H1' . 6652 1
141 . 1 1 17 17 G H2' H 1 4.573 0.006 . 1 . . . . 17 GUA H2' . 6652 1
142 . 1 1 17 17 G H22 H 1 5.713 0.004 . 1 . . . . 17 GUA H21-2 . 6652 1
143 . 1 1 17 17 G H8 H 1 7.459 0.010 . 1 . . . . 17 GUA H8 . 6652 1
144 . 1 1 17 17 G N1 N 15 143.249 0.000 . 1 . . . . 17 GUA N1 . 6652 1
145 . 1 1 18 18 G C1' C 13 91.328 0.000 . 1 . . . . 18 GUA C1' . 6652 1
146 . 1 1 18 18 G C8 C 13 135.964 0.000 . 1 . . . . 18 GUA C8 . 6652 1
147 . 1 1 18 18 G H1 H 1 10.863 0.003 . 1 . . . . 18 GUA H1 . 6652 1
148 . 1 1 18 18 G H1' H 1 5.714 0.012 . 1 . . . . 18 GUA H1' . 6652 1
149 . 1 1 18 18 G H2' H 1 4.533 0.001 . 1 . . . . 18 GUA H2' . 6652 1
150 . 1 1 18 18 G H21 H 1 6.598 0.000 . 1 . . . . 18 GUA H21 . 6652 1
151 . 1 1 18 18 G H22 H 1 6.582 0.000 . 1 . . . . 18 GUA H21-2 . 6652 1
152 . 1 1 18 18 G H8 H 1 6.956 0.007 . 1 . . . . 18 GUA H8 . 6652 1
153 . 1 1 18 18 G N1 N 15 143.376 0.000 . 1 . . . . 18 GUA N1 . 6652 1
154 . 1 1 19 19 G C1' C 13 91.697 0.000 . 1 . . . . 19 GUA C1' . 6652 1
155 . 1 1 19 19 G C8 C 13 135.309 0.000 . 1 . . . . 19 GUA C8 . 6652 1
156 . 1 1 19 19 G H1 H 1 13.312 0.005 . 1 . . . . 19 GUA H1 . 6652 1
157 . 1 1 19 19 G H1' H 1 5.760 0.009 . 1 . . . . 19 GUA H1' . 6652 1
158 . 1 1 19 19 G H2' H 1 4.504 0.001 . 1 . . . . 19 GUA H2' . 6652 1
159 . 1 1 19 19 G H21 H 1 9.019 0.008 . 1 . . . . 19 GUA H21 . 6652 1
160 . 1 1 19 19 G H22 H 1 6.656 0.004 . 1 . . . . 19 GUA H22 . 6652 1
161 . 1 1 19 19 G H8 H 1 6.960 0.006 . 1 . . . . 19 GUA H8 . 6652 1
162 . 1 1 19 19 G N1 N 15 148.363 0.000 . 1 . . . . 19 GUA N1 . 6652 1
163 . 1 1 20 20 G C1' C 13 92.671 0.000 . 1 . . . . 20 GUA C1' . 6652 1
164 . 1 1 20 20 G C8 C 13 135.912 0.000 . 1 . . . . 20 GUA C8 . 6652 1
165 . 1 1 20 20 G H1 H 1 11.287 0.003 . 1 . . . . 20 GUA H1 . 6652 1
166 . 1 1 20 20 G H1' H 1 5.593 0.015 . 1 . . . . 20 GUA H1' . 6652 1
167 . 1 1 20 20 G H2' H 1 4.197 0.003 . 1 . . . . 20 GUA H2' . 6652 1
168 . 1 1 20 20 G H21 H 1 8.333 0.003 . 1 . . . . 20 GUA H21 . 6652 1
169 . 1 1 20 20 G H22 H 1 6.852 0.000 . 1 . . . . 20 GUA H22 . 6652 1
170 . 1 1 20 20 G H8 H 1 7.294 0.023 . 1 . . . . 20 GUA H8 . 6652 1
171 . 1 1 20 20 G N1 N 15 146.520 0.000 . 1 . . . . 20 GUA N1 . 6652 1
172 . 1 1 21 21 A C1' C 13 92.657 0.000 . 1 . . . . 21 ADE C1' . 6652 1
173 . 1 1 21 21 A C2 C 13 152.145 0.000 . 1 . . . . 21 ADE C2 . 6652 1
174 . 1 1 21 21 A C8 C 13 142.195 0.000 . 1 . . . . 21 ADE C8 . 6652 1
175 . 1 1 21 21 A H1' H 1 5.580 0.007 . 1 . . . . 21 ADE H1' . 6652 1
176 . 1 1 21 21 A H2 H 1 6.935 0.003 . 1 . . . . 21 ADE H2 . 6652 1
177 . 1 1 21 21 A H2' H 1 4.724 0.001 . 1 . . . . 21 ADE H2' . 6652 1
178 . 1 1 21 21 A H8 H 1 8.505 0.012 . 1 . . . . 21 ADE H8 . 6652 1
179 . 1 1 22 22 A C1' C 13 92.814 0.000 . 1 . . . . 22 ADE C1' . 6652 1
180 . 1 1 22 22 A C2 C 13 156.652 0.023 . 1 . . . . 22 ADE C2 . 6652 1
181 . 1 1 22 22 A C8 C 13 140.576 0.000 . 1 . . . . 22 ADE C8 . 6652 1
182 . 1 1 22 22 A H1' H 1 5.521 0.004 . 1 . . . . 22 ADE H1' . 6652 1
183 . 1 1 22 22 A H2 H 1 7.863 0.028 . 1 . . . . 22 ADE H2 . 6652 1
184 . 1 1 22 22 A H2' H 1 4.279 0.001 . 1 . . . . 22 ADE H2' . 6652 1
185 . 1 1 22 22 A H8 H 1 8.007 0.010 . 1 . . . . 22 ADE H8 . 6652 1
186 . 1 1 23 23 A C1' C 13 91.564 0.000 . 1 . . . . 23 ADE C1' . 6652 1
187 . 1 1 23 23 A C2 C 13 157.746 0.004 . 1 . . . . 23 ADE C2 . 6652 1
188 . 1 1 23 23 A C8 C 13 141.828 0.000 . 1 . . . . 23 ADE C8 . 6652 1
189 . 1 1 23 23 A H1' H 1 5.710 0.004 . 1 . . . . 23 ADE H1' . 6652 1
190 . 1 1 23 23 A H2 H 1 8.681 0.021 . 1 . . . . 23 ADE H2 . 6652 1
191 . 1 1 23 23 A H2' H 1 4.457 0.002 . 1 . . . . 23 ADE H2' . 6652 1
192 . 1 1 23 23 A H8 H 1 8.325 0.024 . 1 . . . . 23 ADE H8 . 6652 1
193 . 1 1 24 24 C C1' C 13 93.190 0.000 . 1 . . . . 24 CYT C1' . 6652 1
194 . 1 1 24 24 C C5 C 13 97.811 0.000 . 1 . . . . 24 CYT C5 . 6652 1
195 . 1 1 24 24 C H1' H 1 3.282 0.022 . 1 . . . . 24 CYT H1' . 6652 1
196 . 1 1 24 24 C H2' H 1 4.418 0.015 . 1 . . . . 24 CYT H2' . 6652 1
197 . 1 1 24 24 C H3' H 1 3.910 0.002 . 1 . . . . 24 CYT H3' . 6652 1
198 . 1 1 24 24 C H4' H 1 4.253 0.004 . 1 . . . . 24 CYT H4' . 6652 1
199 . 1 1 24 24 C H41 H 1 8.573 0.003 . 1 . . . . 24 CYT H41 . 6652 1
200 . 1 1 24 24 C H42 H 1 7.093 0.008 . 1 . . . . 24 CYT H42 . 6652 1
201 . 1 1 24 24 C H5 H 1 6.093 0.026 . 1 . . . . 24 CYT H5 . 6652 1
202 . 1 1 24 24 C H6 H 1 7.693 0.002 . 1 . . . . 24 CYT H6 . 6652 1
203 . 1 1 25 25 U C1' C 13 92.802 0.000 . 1 . . . . 25 URI C1' . 6652 1
204 . 1 1 25 25 U C5 C 13 103.077 0.000 . 1 . . . . 25 URI C5 . 6652 1
205 . 1 1 25 25 U H1' H 1 5.492 0.009 . 1 . . . . 25 URI H1' . 6652 1
206 . 1 1 25 25 U H2' H 1 4.179 0.008 . 1 . . . . 25 URI H2' . 6652 1
207 . 1 1 25 25 U H3 H 1 11.624 0.005 . 1 . . . . 25 URI H3 . 6652 1
208 . 1 1 25 25 U H5 H 1 5.624 0.007 . 1 . . . . 25 URI H5 . 6652 1
209 . 1 1 25 25 U H6 H 1 8.023 0.005 . 1 . . . . 25 URI H6 . 6652 1
210 . 1 1 25 25 U N3 N 15 157.774 0.000 . 1 . . . . 25 URI N3 . 6652 1
211 . 1 1 26 26 U C1' C 13 92.405 0.000 . 1 . . . . 26 URI C1' . 6652 1
212 . 1 1 26 26 U H1' H 1 5.643 0.016 . 1 . . . . 26 URI H1' . 6652 1
213 . 1 1 26 26 U H2' H 1 4.300 0.004 . 1 . . . . 26 URI H2' . 6652 1
214 . 1 1 26 26 U H3 H 1 11.700 0.006 . 1 . . . . 26 URI H3 . 6652 1
215 . 1 1 26 26 U H5 H 1 5.648 0.008 . 1 . . . . 26 URI H5 . 6652 1
216 . 1 1 26 26 U H6 H 1 8.062 0.005 . 1 . . . . 26 URI H6 . 6652 1
217 . 1 1 26 26 U N3 N 15 158.510 0.000 . 1 . . . . 26 URI N3 . 6652 1
218 . 1 1 27 27 G C8 C 13 137.750 0.000 . 1 . . . . 27 GUA C8 . 6652 1
219 . 1 1 27 27 G H1 H 1 12.421 0.011 . 1 . . . . 27 GUA H1 . 6652 1
220 . 1 1 27 27 G H1' H 1 5.742 0.002 . 1 . . . . 27 GUA H1' . 6652 1
221 . 1 1 27 27 G H2' H 1 4.695 0.013 . 1 . . . . 27 GUA H2' . 6652 1
222 . 1 1 27 27 G H8 H 1 8.032 0.014 . 1 . . . . 27 GUA H8 . 6652 1
223 . 1 1 27 27 G N1 N 15 146.767 0.000 . 1 . . . . 27 GUA N1 . 6652 1
224 . 1 1 28 28 G C8 C 13 135.703 0.000 . 1 . . . . 28 GUA C8 . 6652 1
225 . 1 1 28 28 G H1 H 1 13.205 0.004 . 1 . . . . 28 GUA H1 . 6652 1
226 . 1 1 28 28 G H1' H 1 5.729 0.001 . 1 . . . . 28 GUA H1' . 6652 1
227 . 1 1 28 28 G H2' H 1 4.364 0.002 . 1 . . . . 28 GUA H2' . 6652 1
228 . 1 1 28 28 G H21 H 1 8.394 0.000 . 1 . . . . 28 GUA H21 . 6652 1
229 . 1 1 28 28 G H22 H 1 6.112 0.000 . 1 . . . . 28 GUA H22 . 6652 1
230 . 1 1 28 28 G H8 H 1 7.322 0.017 . 1 . . . . 28 GUA H8 . 6652 1
231 . 1 1 28 28 G N1 N 15 147.956 0.000 . 1 . . . . 28 GUA N1 . 6652 1
232 . 1 1 29 29 U C1' C 13 92.384 0.000 . 1 . . . . 29 URI C1' . 6652 1
233 . 1 1 29 29 U C5 C 13 101.431 0.000 . 1 . . . . 29 URI C5 . 6652 1
234 . 1 1 29 29 U H1' H 1 5.562 0.012 . 1 . . . . 29 URI H1' . 6652 1
235 . 1 1 29 29 U H2' H 1 4.374 0.007 . 1 . . . . 29 URI H2' . 6652 1
236 . 1 1 29 29 U H3 H 1 14.495 0.003 . 1 . . . . 29 URI H3 . 6652 1
237 . 1 1 29 29 U H5 H 1 5.026 0.008 . 1 . . . . 29 URI H5 . 6652 1
238 . 1 1 29 29 U H6 H 1 7.847 0.005 . 1 . . . . 29 URI H6 . 6652 1
239 . 1 1 29 29 U N3 N 15 162.333 0.000 . 1 . . . . 29 URI N3 . 6652 1
240 . 1 1 30 30 U C5 C 13 102.413 0.000 . 1 . . . . 30 URI C5 . 6652 1
241 . 1 1 30 30 U H1' H 1 5.682 0.003 . 1 . . . . 30 URI H1' . 6652 1
242 . 1 1 30 30 U H2' H 1 4.455 0.006 . 1 . . . . 30 URI H2' . 6652 1
243 . 1 1 30 30 U H3 H 1 14.004 0.005 . 1 . . . . 30 URI H3 . 6652 1
244 . 1 1 30 30 U H5 H 1 5.588 0.015 . 1 . . . . 30 URI H5 . 6652 1
245 . 1 1 30 30 U H6 H 1 7.976 0.010 . 1 . . . . 30 URI H6 . 6652 1
246 . 1 1 30 30 U N3 N 15 162.129 0.000 . 1 . . . . 30 URI N3 . 6652 1
247 . 1 1 31 31 C H1' H 1 5.480 0.001 . 1 . . . . 31 CYT H1' . 6652 1
248 . 1 1 31 31 C H2' H 1 4.291 0.004 . 1 . . . . 31 CYT H2' . 6652 1
249 . 1 1 31 31 C H41 H 1 8.387 0.004 . 1 . . . . 31 CYT H41 . 6652 1
250 . 1 1 31 31 C H42 H 1 6.893 0.007 . 1 . . . . 31 CYT H42 . 6652 1
251 . 1 1 31 31 C H5 H 1 5.677 0.002 . 1 . . . . 31 CYT H5 . 6652 1
252 . 1 1 31 31 C H6 H 1 7.786 0.002 . 1 . . . . 31 CYT H6 . 6652 1
253 . 1 1 32 32 U C1' C 13 92.612 0.000 . 1 . . . . 32 URI C1' . 6652 1
254 . 1 1 32 32 U C5 C 13 102.113 0.000 . 1 . . . . 32 URI C5 . 6652 1
255 . 1 1 32 32 U H1' H 1 5.442 0.007 . 1 . . . . 32 URI H1' . 6652 1
256 . 1 1 32 32 U H2' H 1 4.413 0.004 . 1 . . . . 32 URI H2' . 6652 1
257 . 1 1 32 32 U H3 H 1 13.995 0.008 . 1 . . . . 32 URI H3 . 6652 1
258 . 1 1 32 32 U H5 H 1 5.382 0.012 . 1 . . . . 32 URI H5 . 6652 1
259 . 1 1 32 32 U H6 H 1 7.865 0.008 . 1 . . . . 32 URI H6 . 6652 1
260 . 1 1 32 32 U N3 N 15 162.720 0.000 . 1 . . . . 32 URI N3 . 6652 1
261 . 1 1 33 33 U C1' C 13 91.582 0.000 . 1 . . . . 33 URI C1' . 6652 1
262 . 1 1 33 33 U C5 C 13 102.135 0.000 . 1 . . . . 33 URI C5 . 6652 1
263 . 1 1 33 33 U C6 C 13 142.651 0.000 . 1 . . . . 33 URI C6 . 6652 1
264 . 1 1 33 33 U H1' H 1 5.575 0.008 . 1 . . . . 33 URI H1' . 6652 1
265 . 1 1 33 33 U H2' H 1 4.417 0.004 . 1 . . . . 33 URI H2' . 6652 1
266 . 1 1 33 33 U H3 H 1 13.641 0.004 . 1 . . . . 33 URI H3 . 6652 1
267 . 1 1 33 33 U H5 H 1 5.551 0.004 . 1 . . . . 33 URI H5 . 6652 1
268 . 1 1 33 33 U H6 H 1 7.945 0.012 . 1 . . . . 33 URI H6 . 6652 1
269 . 1 1 33 33 U N3 N 15 162.472 0.000 . 1 . . . . 33 URI N3 . 6652 1
270 . 1 1 34 34 C C1' C 13 92.558 0.000 . 1 . . . . 34 CYT C1' . 6652 1
271 . 1 1 34 34 C C5 C 13 96.132 0.000 . 1 . . . . 34 CYT C5 . 6652 1
272 . 1 1 34 34 C H1' H 1 5.448 0.023 . 1 . . . . 34 CYT H1' . 6652 1
273 . 1 1 34 34 C H2' H 1 4.242 0.003 . 1 . . . . 34 CYT H2' . 6652 1
274 . 1 1 34 34 C H41 H 1 8.378 0.002 . 1 . . . . 34 CYT H41 . 6652 1
275 . 1 1 34 34 C H42 H 1 7.072 0.000 . 1 . . . . 34 CYT H42 . 6652 1
276 . 1 1 34 34 C H5 H 1 5.692 0.011 . 1 . . . . 34 CYT H5 . 6652 1
277 . 1 1 34 34 C H6 H 1 7.889 0.002 . 1 . . . . 34 CYT H6 . 6652 1
278 . 1 1 35 35 C C1' C 13 92.558 0.000 . 1 . . . . 35 CYT C1' . 6652 1
279 . 1 1 35 35 C C5 C 13 96.305 0.000 . 1 . . . . 35 CYT C5 . 6652 1
280 . 1 1 35 35 C H1' H 1 5.487 0.000 . 1 . . . . 35 CYT H1' . 6652 1
281 . 1 1 35 35 C H2' H 1 4.156 0.000 . 1 . . . . 35 CYT H2' . 6652 1
282 . 1 1 35 35 C H41 H 1 8.056 0.000 . 1 . . . . 35 CYT H41 . 6652 1
283 . 1 1 35 35 C H42 H 1 6.555 0.009 . 1 . . . . 35 CYT H42 . 6652 1
284 . 1 1 35 35 C H5 H 1 5.381 0.013 . 1 . . . . 35 CYT H5 . 6652 1
285 . 1 1 35 35 C H6 H 1 7.739 0.001 . 1 . . . . 35 CYT H6 . 6652 1
286 . 1 1 36 36 U H1' H 1 5.586 0.002 . 1 . . . . 36 URI H1' . 6652 1
287 . 1 1 36 36 U C5 C 13 102.884 0.000 . 1 . . . . 36 URI C5 . 6652 1
288 . 1 1 36 36 U H2' H 1 4.359 0.004 . 1 . . . . 36 URI H2' . 6652 1
289 . 1 1 36 36 U H3 H 1 11.496 0.005 . 1 . . . . 36 URI H3 . 6652 1
290 . 1 1 36 36 U H5 H 1 5.616 0.007 . 1 . . . . 36 URI H5 . 6652 1
291 . 1 1 36 36 U H6 H 1 7.736 0.003 . 1 . . . . 36 URI H6 . 6652 1
292 . 1 1 36 36 U N3 N 15 159.320 0.000 . 1 . . . . 36 URI N3 . 6652 1
293 . 1 1 37 37 A C1' C 13 88.517 0.000 . 1 . . . . 37 ADE C1' . 6652 1
294 . 1 1 37 37 A C2 C 13 153.300 0.000 . 1 . . . . 37 ADE C2 . 6652 1
295 . 1 1 37 37 A C8 C 13 139.881 0.000 . 1 . . . . 37 ADE C8 . 6652 1
296 . 1 1 37 37 A H1' H 1 7.198 0.019 . 1 . . . . 37 ADE H1' . 6652 1
297 . 1 1 37 37 A H2 H 1 6.836 0.017 . 1 . . . . 37 ADE H2 . 6652 1
298 . 1 1 37 37 A H2' H 1 4.288 0.003 . 1 . . . . 37 ADE H2' . 6652 1
299 . 1 1 37 37 A H3' H 1 4.999 0.002 . 1 . . . . 37 ADE H3' . 6652 1
300 . 1 1 37 37 A H8 H 1 7.913 0.016 . 1 . . . . 37 ADE H8 . 6652 1
301 . 1 1 37 37 A HO2' H 1 6.943 0.000 . 1 . . . . 37 ADE HO2' . 6652 1
302 . 1 1 38 38 A C1' C 13 91.394 0.000 . 1 . . . . 38 ADE C1' . 6652 1
303 . 1 1 38 38 A C2 C 13 153.314 0.000 . 1 . . . . 38 ADE C2 . 6652 1
304 . 1 1 38 38 A H1' H 1 3.699 0.012 . 1 . . . . 38 ADE H1' . 6652 1
305 . 1 1 38 38 A H2 H 1 7.960 0.011 . 1 . . . . 38 ADE H2 . 6652 1
306 . 1 1 38 38 A H2' H 1 4.444 0.001 . 1 . . . . 38 ADE H2' . 6652 1
307 . 1 1 38 38 A H8 H 1 7.613 0.002 . 1 . . . . 38 ADE H8 . 6652 1
308 . 1 1 39 39 G C1' C 13 91.062 0.000 . 1 . . . . 39 GUA C1' . 6652 1
309 . 1 1 39 39 G C8 C 13 136.741 0.000 . 1 . . . . 39 GUA C8 . 6652 1
310 . 1 1 39 39 G H1 H 1 11.289 0.020 . 1 . . . . 39 GUA H1 . 6652 1
311 . 1 1 39 39 G H1' H 1 4.941 0.002 . 1 . . . . 39 GUA H1' . 6652 1
312 . 1 1 39 39 G H2' H 1 4.301 0.000 . 1 . . . . 39 GUA H2' . 6652 1
313 . 1 1 39 39 G H21 H 1 6.390 0.003 . 1 . . . . 39 GUA H21,2 . 6652 1
314 . 1 1 39 39 G H22 H 1 6.397 0.000 . 1 . . . . 39 GUA H21-2 . 6652 1
315 . 1 1 39 39 G H8 H 1 7.402 0.004 . 1 . . . . 39 GUA H8 . 6652 1
316 . 1 1 39 39 G N1 N 15 143.440 0.000 . 1 . . . . 39 GUA N1 . 6652 1
317 . 1 1 40 40 U C1' C 13 92.065 0.000 . 1 . . . . 40 URI C1' . 6652 1
318 . 1 1 40 40 U C5 C 13 101.857 0.000 . 1 . . . . 40 URI C5 . 6652 1
319 . 1 1 40 40 U C6 C 13 141.318 0.000 . 1 . . . . 40 URI C6 . 6652 1
320 . 1 1 40 40 U H1' H 1 5.342 0.007 . 1 . . . . 40 URI H1' . 6652 1
321 . 1 1 40 40 U H2' H 1 4.262 0.003 . 1 . . . . 40 URI H2' . 6652 1
322 . 1 1 40 40 U H3 H 1 14.201 0.014 . 1 . . . . 40 URI H3 . 6652 1
323 . 1 1 40 40 U H5 H 1 5.369 0.010 . 1 . . . . 40 URI H5 . 6652 1
324 . 1 1 40 40 U H6 H 1 7.617 0.006 . 1 . . . . 40 URI H6 . 6652 1
325 . 1 1 40 40 U N3 N 15 164.361 0.000 . 1 . . . . 40 URI N3 . 6652 1
326 . 1 1 41 41 C C1' C 13 92.374 0.000 . 1 . . . . 41 CYT C1' . 6652 1
327 . 1 1 41 41 C C5 C 13 96.132 0.000 . 1 . . . . 41 CYT C5 . 6652 1
328 . 1 1 41 41 C H1' H 1 5.549 0.022 . 1 . . . . 41 CYT H1' . 6652 1
329 . 1 1 41 41 C H2' H 1 4.263 0.016 . 1 . . . . 41 CYT H2' . 6652 1
330 . 1 1 41 41 C H41 H 1 8.300 0.002 . 1 . . . . 41 CYT H41 . 6652 1
331 . 1 1 41 41 C H42 H 1 6.978 0.003 . 1 . . . . 41 CYT H42 . 6652 1
332 . 1 1 41 41 C H5 H 1 5.552 0.021 . 1 . . . . 41 CYT H5 . 6652 1
333 . 1 1 41 41 C H6 H 1 7.887 0.001 . 1 . . . . 41 CYT H6 . 6652 1
334 . 1 1 42 42 C C1' C 13 92.356 0.000 . 1 . . . . 42 CYT C1' . 6652 1
335 . 1 1 42 42 C C5 C 13 96.648 0.000 . 1 . . . . 42 CYT C5 . 6652 1
336 . 1 1 42 42 C H1' H 1 5.457 0.019 . 1 . . . . 42 CYT H1' . 6652 1
337 . 1 1 42 42 C H2' H 1 4.319 0.002 . 1 . . . . 42 CYT H2' . 6652 1
338 . 1 1 42 42 C H41 H 1 8.355 0.004 . 1 . . . . 42 CYT H41 . 6652 1
339 . 1 1 42 42 C H42 H 1 6.860 0.004 . 1 . . . . 42 CYT H42 . 6652 1
340 . 1 1 42 42 C H5 H 1 5.406 0.018 . 1 . . . . 42 CYT H5 . 6652 1
341 . 1 1 42 42 C H6 H 1 7.664 0.003 . 1 . . . . 42 CYT H6 . 6652 1
342 . 1 1 43 43 U C1' C 13 91.318 0.000 . 1 . . . . 43 URI C1' . 6652 1
343 . 1 1 43 43 U C5 C 13 102.756 0.000 . 1 . . . . 43 URI C5 . 6652 1
344 . 1 1 43 43 U H1' H 1 5.731 0.009 . 1 . . . . 43 URI H1' . 6652 1
345 . 1 1 43 43 U H2' H 1 3.996 0.009 . 1 . . . . 43 URI H2' . 6652 1
346 . 1 1 43 43 U H3 H 1 11.844 0.009 . 1 . . . . 43 URI H3 . 6652 1
347 . 1 1 43 43 U H3' H 1 4.156 0.000 . 1 . . . . 43 URI H3' . 6652 1
348 . 1 1 43 43 U H5 H 1 5.611 0.006 . 1 . . . . 43 URI H5 . 6652 1
349 . 1 1 43 43 U H6 H 1 7.750 0.006 . 1 . . . . 43 URI H6 . 6652 1
350 . 1 1 43 43 U N3 N 15 158.029 0.000 . 1 . . . . 43 URI N3 . 6652 1
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