###################################
# 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 15781
_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' . . . 15781 1
2 '2D DQF-COSY' . . . 15781 1
3 '2D 1H-1H TOCSY' . . . 15781 1
4 '2D 1H-13C HSQC' . . . 15781 1
5 '2D 1H-31P HSQC' . . . 15781 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 5.69 0.01 . 1 . . . . 1 G H1' . 15781 1
2 . 1 1 1 1 G H2' H 1 4.78 0.01 . 1 . . . . 1 G H2' . 15781 1
3 . 1 1 1 1 G H3' H 1 4.55 0.01 . 1 . . . . 1 G H3' . 15781 1
4 . 1 1 1 1 G H4' H 1 4.34 0.01 . 1 . . . . 1 G H4' . 15781 1
5 . 1 1 1 1 G H5' H 1 4.02 0.01 . 2 . . . . 1 G H5' . 15781 1
6 . 1 1 1 1 G H5'' H 1 3.89 0.01 . 2 . . . . 1 G H5'' . 15781 1
7 . 1 1 1 1 G H8 H 1 8.02 0.01 . 1 . . . . 1 G H8 . 15781 1
8 . 1 1 1 1 G C1' C 13 92.52 0.05 . 1 . . . . 1 G C1' . 15781 1
9 . 1 1 1 1 G C2' C 13 74.92 0.05 . 1 . . . . 1 G C2' . 15781 1
10 . 1 1 1 1 G C3' C 13 74.39 0.05 . 1 . . . . 1 G C3' . 15781 1
11 . 1 1 1 1 G C4' C 13 85.10 0.05 . 1 . . . . 1 G C4' . 15781 1
12 . 1 1 1 1 G C5' C 13 62.56 0.05 . 1 . . . . 1 G C5' . 15781 1
13 . 1 1 1 1 G C8 C 13 138.99 0.05 . 1 . . . . 1 G C8 . 15781 1
14 . 1 1 2 2 U H1' H 1 5.70 0.01 . 1 . . . . 2 U H1' . 15781 1
15 . 1 1 2 2 U H2' H 1 4.65 0.01 . 1 . . . . 2 U H2' . 15781 1
16 . 1 1 2 2 U H3 H 1 14.72 0.01 . 1 . . . . 2 U H3 . 15781 1
17 . 1 1 2 2 U H3' H 1 4.56 0.01 . 1 . . . . 2 U H3' . 15781 1
18 . 1 1 2 2 U H4' H 1 4.51 0.01 . 1 . . . . 2 U H4' . 15781 1
19 . 1 1 2 2 U H5 H 1 5.16 0.01 . 1 . . . . 2 U H5 . 15781 1
20 . 1 1 2 2 U H5' H 1 4.56 0.01 . 2 . . . . 2 U H5' . 15781 1
21 . 1 1 2 2 U H5'' H 1 4.19 0.01 . 2 . . . . 2 U H5'' . 15781 1
22 . 1 1 2 2 U H6 H 1 8.00 0.01 . 1 . . . . 2 U H6 . 15781 1
23 . 1 1 2 2 U C1' C 13 93.92 0.05 . 1 . . . . 2 U C1' . 15781 1
24 . 1 1 2 2 U C2' C 13 75.34 0.05 . 1 . . . . 2 U C2' . 15781 1
25 . 1 1 2 2 U C3' C 13 72.60 0.05 . 1 . . . . 2 U C3' . 15781 1
26 . 1 1 2 2 U C4' C 13 82.54 0.05 . 1 . . . . 2 U C4' . 15781 1
27 . 1 1 2 2 U C5 C 13 102.65 0.05 . 1 . . . . 2 U C5 . 15781 1
28 . 1 1 2 2 U C5' C 13 65.02 0.05 . 1 . . . . 2 U C5' . 15781 1
29 . 1 1 2 2 U C6 C 13 142.74 0.05 . 1 . . . . 2 U C6 . 15781 1
30 . 1 1 2 2 U P P 31 -4.46 0.01 . 1 . . . . 2 U P . 15781 1
31 . 1 1 3 3 C H1' H 1 5.56 0.01 . 1 . . . . 3 C H1' . 15781 1
32 . 1 1 3 3 C H2' H 1 4.29 0.01 . 1 . . . . 3 C H2' . 15781 1
33 . 1 1 3 3 C H3' H 1 4.52 0.01 . 1 . . . . 3 C H3' . 15781 1
34 . 1 1 3 3 C H4' H 1 4.46 0.01 . 1 . . . . 3 C H4' . 15781 1
35 . 1 1 3 3 C H5 H 1 5.72 0.01 . 1 . . . . 3 C H5 . 15781 1
36 . 1 1 3 3 C H5' H 1 4.52 0.01 . 2 . . . . 3 C H5' . 15781 1
37 . 1 1 3 3 C H5'' H 1 4.15 0.01 . 2 . . . . 3 C H5'' . 15781 1
38 . 1 1 3 3 C H6 H 1 7.84 0.01 . 1 . . . . 3 C H6 . 15781 1
39 . 1 1 3 3 C H41 H 1 8.23 0.01 . 2 . . . . 3 C H41 . 15781 1
40 . 1 1 3 3 C H42 H 1 6.92 0.01 . 2 . . . . 3 C H42 . 15781 1
41 . 1 1 3 3 C C1' C 13 94.42 0.05 . 1 . . . . 3 C C1' . 15781 1
42 . 1 1 3 3 C C2' C 13 75.53 0.05 . 1 . . . . 3 C C2' . 15781 1
43 . 1 1 3 3 C C3' C 13 73.04 0.05 . 1 . . . . 3 C C3' . 15781 1
44 . 1 1 3 3 C C5 C 13 98.16 0.05 . 1 . . . . 3 C C5 . 15781 1
45 . 1 1 3 3 C C5' C 13 65.64 0.05 . 1 . . . . 3 C C5' . 15781 1
46 . 1 1 3 3 C C6 C 13 141.33 0.05 . 1 . . . . 3 C C6 . 15781 1
47 . 1 1 3 3 C P P 31 -4.04 0.01 . 1 . . . . 3 C P . 15781 1
48 . 1 1 4 4 G H1 H 1 12.60 0.01 . 1 . . . . 4 G H1 . 15781 1
49 . 1 1 4 4 G H1' H 1 5.82 0.01 . 1 . . . . 4 G H1' . 15781 1
50 . 1 1 4 4 G H2' H 1 4.45 0.01 . 1 . . . . 4 G H2' . 15781 1
51 . 1 1 4 4 G H3' H 1 4.74 0.01 . 1 . . . . 4 G H3' . 15781 1
52 . 1 1 4 4 G H4' H 1 4.49 0.01 . 1 . . . . 4 G H4' . 15781 1
53 . 1 1 4 4 G H5' H 1 4.51 0.01 . 2 . . . . 4 G H5' . 15781 1
54 . 1 1 4 4 G H5'' H 1 4.15 0.01 . 2 . . . . 4 G H5'' . 15781 1
55 . 1 1 4 4 G H8 H 1 7.67 0.01 . 1 . . . . 4 G H8 . 15781 1
56 . 1 1 4 4 G C1' C 13 89.83 0.05 . 1 . . . . 4 G C1' . 15781 1
57 . 1 1 4 4 G C2' C 13 77.61 0.05 . 1 . . . . 4 G C2' . 15781 1
58 . 1 1 4 4 G C3' C 13 76.69 0.05 . 1 . . . . 4 G C3' . 15781 1
59 . 1 1 4 4 G C4' C 13 84.90 0.05 . 1 . . . . 4 G C4' . 15781 1
60 . 1 1 4 4 G C5' C 13 66.73 0.05 . 1 . . . . 4 G C5' . 15781 1
61 . 1 1 4 4 G C8 C 13 137.28 0.05 . 1 . . . . 4 G C8 . 15781 1
62 . 1 1 4 4 G P P 31 -4.32 0.01 . 1 . . . . 4 G P . 15781 1
63 . 1 1 5 5 U H1' H 1 5.87 0.01 . 1 . . . . 5 U H1' . 15781 1
64 . 1 1 5 5 U H2' H 1 4.31 0.01 . 1 . . . . 5 U H2' . 15781 1
65 . 1 1 5 5 U H3' H 1 4.69 0.01 . 1 . . . . 5 U H3' . 15781 1
66 . 1 1 5 5 U H4' H 1 4.43 0.01 . 1 . . . . 5 U H4' . 15781 1
67 . 1 1 5 5 U H5 H 1 5.85 0.01 . 1 . . . . 5 U H5 . 15781 1
68 . 1 1 5 5 U H5' H 1 4.32 0.01 . 2 . . . . 5 U H5' . 15781 1
69 . 1 1 5 5 U H5'' H 1 4.17 0.01 . 2 . . . . 5 U H5'' . 15781 1
70 . 1 1 5 5 U H6 H 1 7.86 0.01 . 1 . . . . 5 U H6 . 15781 1
71 . 1 1 5 5 U C1' C 13 92.03 0.05 . 1 . . . . 5 U C1' . 15781 1
72 . 1 1 5 5 U C2' C 13 75.78 0.05 . 1 . . . . 5 U C2' . 15781 1
73 . 1 1 5 5 U C3' C 13 75.44 0.05 . 1 . . . . 5 U C3' . 15781 1
74 . 1 1 5 5 U C4' C 13 84.60 0.05 . 1 . . . . 5 U C4' . 15781 1
75 . 1 1 5 5 U C5 C 13 104.99 0.05 . 1 . . . . 5 U C5 . 15781 1
76 . 1 1 5 5 U C5' C 13 67.03 0.05 . 1 . . . . 5 U C5' . 15781 1
77 . 1 1 5 5 U C6 C 13 143.97 0.05 . 1 . . . . 5 U C6 . 15781 1
78 . 1 1 5 5 U P P 31 -3.74 0.01 . 1 . . . . 5 U P . 15781 1
79 . 1 1 6 6 G H1 H 1 13.19 0.01 . 1 . . . . 6 G H1 . 15781 1
80 . 1 1 6 6 G H1' H 1 5.72 0.01 . 1 . . . . 6 G H1' . 15781 1
81 . 1 1 6 6 G H2' H 1 4.79 0.01 . 1 . . . . 6 G H2' . 15781 1
82 . 1 1 6 6 G H3' H 1 4.48 0.01 . 1 . . . . 6 G H3' . 15781 1
83 . 1 1 6 6 G H4' H 1 4.53 0.01 . 1 . . . . 6 G H4' . 15781 1
84 . 1 1 6 6 G H5' H 1 4.30 0.01 . 2 . . . . 6 G H5' . 15781 1
85 . 1 1 6 6 G H5'' H 1 4.16 0.01 . 2 . . . . 6 G H5'' . 15781 1
86 . 1 1 6 6 G H8 H 1 7.72 0.01 . 1 . . . . 6 G H8 . 15781 1
87 . 1 1 6 6 G C1' C 13 92.59 0.05 . 1 . . . . 6 G C1' . 15781 1
88 . 1 1 6 6 G C2' C 13 74.62 0.05 . 1 . . . . 6 G C2' . 15781 1
89 . 1 1 6 6 G C3' C 13 73.02 0.05 . 1 . . . . 6 G C3' . 15781 1
90 . 1 1 6 6 G C4' C 13 83.75 0.05 . 1 . . . . 6 G C4' . 15781 1
91 . 1 1 6 6 G C5' C 13 67.67 0.05 . 1 . . . . 6 G C5' . 15781 1
92 . 1 1 6 6 G C8 C 13 137.64 0.05 . 1 . . . . 6 G C8 . 15781 1
93 . 1 1 6 6 G P P 31 -3.89 0.01 . 1 . . . . 6 G P . 15781 1
94 . 1 1 7 7 C H1' H 1 5.58 0.01 . 1 . . . . 7 C H1' . 15781 1
95 . 1 1 7 7 C H2' H 1 4.47 0.01 . 1 . . . . 7 C H2' . 15781 1
96 . 1 1 7 7 C H3' H 1 4.46 0.01 . 1 . . . . 7 C H3' . 15781 1
97 . 1 1 7 7 C H4' H 1 4.46 0.01 . 1 . . . . 7 C H4' . 15781 1
98 . 1 1 7 7 C H5 H 1 5.18 0.01 . 1 . . . . 7 C H5 . 15781 1
99 . 1 1 7 7 C H5' H 1 4.50 0.01 . 2 . . . . 7 C H5' . 15781 1
100 . 1 1 7 7 C H5'' H 1 4.18 0.01 . 2 . . . . 7 C H5'' . 15781 1
101 . 1 1 7 7 C H6 H 1 7.73 0.01 . 1 . . . . 7 C H6 . 15781 1
102 . 1 1 7 7 C H41 H 1 8.54 0.01 . 2 . . . . 7 C H41 . 15781 1
103 . 1 1 7 7 C H42 H 1 6.80 0.01 . 2 . . . . 7 C H42 . 15781 1
104 . 1 1 7 7 C C1' C 13 94.48 0.05 . 1 . . . . 7 C C1' . 15781 1
105 . 1 1 7 7 C C2' C 13 75.38 0.05 . 1 . . . . 7 C C2' . 15781 1
106 . 1 1 7 7 C C3' C 13 72.50 0.05 . 1 . . . . 7 C C3' . 15781 1
107 . 1 1 7 7 C C4' C 13 81.97 0.05 . 1 . . . . 7 C C4' . 15781 1
108 . 1 1 7 7 C C5 C 13 96.87 0.05 . 1 . . . . 7 C C5 . 15781 1
109 . 1 1 7 7 C C5' C 13 65.41 0.05 . 1 . . . . 7 C C5' . 15781 1
110 . 1 1 7 7 C C6 C 13 141.99 0.05 . 1 . . . . 7 C C6 . 15781 1
111 . 1 1 7 7 C P P 31 -4.32 0.01 . 1 . . . . 7 C P . 15781 1
112 . 1 1 8 8 U H1' H 1 5.57 0.01 . 1 . . . . 8 U H1' . 15781 1
113 . 1 1 8 8 U H2' H 1 4.42 0.01 . 1 . . . . 8 U H2' . 15781 1
114 . 1 1 8 8 U H3 H 1 13.83 0.01 . 1 . . . . 8 U H3 . 15781 1
115 . 1 1 8 8 U H3' H 1 4.55 0.01 . 1 . . . . 8 U H3' . 15781 1
116 . 1 1 8 8 U H4' H 1 4.42 0.01 . 1 . . . . 8 U H4' . 15781 1
117 . 1 1 8 8 U H5 H 1 5.42 0.01 . 1 . . . . 8 U H5 . 15781 1
118 . 1 1 8 8 U H5' H 1 4.54 0.01 . 2 . . . . 8 U H5' . 15781 1
119 . 1 1 8 8 U H5'' H 1 4.10 0.01 . 2 . . . . 8 U H5'' . 15781 1
120 . 1 1 8 8 U H6 H 1 7.82 0.01 . 1 . . . . 8 U H6 . 15781 1
121 . 1 1 8 8 U C1' C 13 93.83 0.05 . 1 . . . . 8 U C1' . 15781 1
122 . 1 1 8 8 U C2' C 13 75.44 0.10 . 1 . . . . 8 U C2' . 15781 1
123 . 1 1 8 8 U C3' C 13 72.49 0.05 . 1 . . . . 8 U C3' . 15781 1
124 . 1 1 8 8 U C4' C 13 82.17 0.05 . 1 . . . . 8 U C4' . 15781 1
125 . 1 1 8 8 U C5 C 13 103.82 0.05 . 1 . . . . 8 U C5 . 15781 1
126 . 1 1 8 8 U C5' C 13 64.73 0.05 . 1 . . . . 8 U C5' . 15781 1
127 . 1 1 8 8 U C6 C 13 141.51 0.05 . 1 . . . . 8 U C6 . 15781 1
128 . 1 1 8 8 U P P 31 -4.22 0.01 . 1 . . . . 8 U P . 15781 1
129 . 1 1 9 9 G H1' H 1 5.89 0.01 . 1 . . . . 9 G H1' . 15781 1
130 . 1 1 9 9 G H2' H 1 4.07 0.01 . 1 . . . . 9 G H2' . 15781 1
131 . 1 1 9 9 G H3' H 1 4.33 0.01 . 1 . . . . 9 G H3' . 15781 1
132 . 1 1 9 9 G H4' H 1 4.25 0.01 . 1 . . . . 9 G H4' . 15781 1
133 . 1 1 9 9 G H5' H 1 4.48 0.01 . 2 . . . . 9 G H5' . 15781 1
134 . 1 1 9 9 G H5'' H 1 4.07 0.01 . 2 . . . . 9 G H5'' . 15781 1
135 . 1 1 9 9 G H8 H 1 7.75 0.01 . 1 . . . . 9 G H8 . 15781 1
136 . 1 1 9 9 G C1' C 13 91.05 0.05 . 1 . . . . 9 G C1' . 15781 1
137 . 1 1 9 9 G C2' C 13 78.02 0.05 . 1 . . . . 9 G C2' . 15781 1
138 . 1 1 9 9 G C3' C 13 70.69 0.05 . 1 . . . . 9 G C3' . 15781 1
139 . 1 1 9 9 G C4' C 13 84.17 0.05 . 1 . . . . 9 G C4' . 15781 1
140 . 1 1 9 9 G C5' C 13 65.89 0.05 . 1 . . . . 9 G C5' . 15781 1
141 . 1 1 9 9 G C8 C 13 137.64 0.05 . 1 . . . . 9 G C8 . 15781 1
142 . 1 1 9 9 G P P 31 -4.04 0.01 . 1 . . . . 9 G P . 15781 1
143 . 2 2 1 1 C H1' H 1 5.50 0.01 . 1 . . . . 1 C H1' . 15781 1
144 . 2 2 1 1 C H2' H 1 4.52 0.01 . 1 . . . . 1 C H2' . 15781 1
145 . 2 2 1 1 C H3' H 1 4.58 0.01 . 1 . . . . 1 C H3' . 15781 1
146 . 2 2 1 1 C H4' H 1 4.32 0.01 . 1 . . . . 1 C H4' . 15781 1
147 . 2 2 1 1 C H5 H 1 5.98 0.01 . 1 . . . . 1 C H5 . 15781 1
148 . 2 2 1 1 C H5' H 1 4.05 0.01 . 2 . . . . 1 C H5' . 15781 1
149 . 2 2 1 1 C H5'' H 1 3.93 0.01 . 2 . . . . 1 C H5'' . 15781 1
150 . 2 2 1 1 C H6 H 1 8.07 0.01 . 1 . . . . 1 C H6 . 15781 1
151 . 2 2 1 1 C H41 H 1 8.33 0.01 . 2 . . . . 1 C H41 . 15781 1
152 . 2 2 1 1 C H42 H 1 7.12 0.01 . 2 . . . . 1 C H42 . 15781 1
153 . 2 2 1 1 C C1' C 13 93.98 0.05 . 1 . . . . 1 C C1' . 15781 1
154 . 2 2 1 1 C C2' C 13 75.46 0.10 . 1 . . . . 1 C C2' . 15781 1
155 . 2 2 1 1 C C3' C 13 73.61 0.05 . 1 . . . . 1 C C3' . 15781 1
156 . 2 2 1 1 C C4' C 13 84.38 0.05 . 1 . . . . 1 C C4' . 15781 1
157 . 2 2 1 1 C C5 C 13 98.84 0.05 . 1 . . . . 1 C C5 . 15781 1
158 . 2 2 1 1 C C5' C 13 61.98 0.05 . 1 . . . . 1 C C5' . 15781 1
159 . 2 2 1 1 C C6 C 13 143.01 0.05 . 1 . . . . 1 C C6 . 15781 1
160 . 2 2 2 2 A H1' H 1 5.99 0.01 . 1 . . . . 2 A H1' . 15781 1
161 . 2 2 2 2 A H2 H 1 7.31 0.01 . 1 . . . . 2 A H2 . 15781 1
162 . 2 2 2 2 A H2' H 1 4.75 0.01 . 1 . . . . 2 A H2' . 15781 1
163 . 2 2 2 2 A H3' H 1 4.84 0.01 . 1 . . . . 2 A H3' . 15781 1
164 . 2 2 2 2 A H4' H 1 4.54 0.01 . 1 . . . . 2 A H4' . 15781 1
165 . 2 2 2 2 A H5' H 1 4.56 0.01 . 2 . . . . 2 A H5' . 15781 1
166 . 2 2 2 2 A H5'' H 1 4.24 0.01 . 2 . . . . 2 A H5'' . 15781 1
167 . 2 2 2 2 A H8 H 1 8.23 0.01 . 1 . . . . 2 A H8 . 15781 1
168 . 2 2 2 2 A C1' C 13 92.43 0.05 . 1 . . . . 2 A C1' . 15781 1
169 . 2 2 2 2 A C2 C 13 153.00 0.05 . 1 . . . . 2 A C2 . 15781 1
170 . 2 2 2 2 A C2' C 13 75.81 0.05 . 1 . . . . 2 A C2' . 15781 1
171 . 2 2 2 2 A C3' C 13 73.21 0.05 . 1 . . . . 2 A C3' . 15781 1
172 . 2 2 2 2 A C4' C 13 82.27 0.05 . 1 . . . . 2 A C4' . 15781 1
173 . 2 2 2 2 A C5' C 13 65.51 0.05 . 1 . . . . 2 A C5' . 15781 1
174 . 2 2 2 2 A C8 C 13 139.99 0.05 . 1 . . . . 2 A C8 . 15781 1
175 . 2 2 2 2 A P P 31 -3.92 0.01 . 1 . . . . 2 A P . 15781 1
176 . 2 2 3 3 G H1 H 1 13.57 0.01 . 1 . . . . 3 G H1 . 15781 1
177 . 2 2 3 3 G H1' H 1 5.65 0.01 . 1 . . . . 3 G H1' . 15781 1
178 . 2 2 3 3 G H2' H 1 4.50 0.01 . 1 . . . . 3 G H2' . 15781 1
179 . 2 2 3 3 G H3' H 1 4.41 0.01 . 1 . . . . 3 G H3' . 15781 1
180 . 2 2 3 3 G H4' H 1 4.47 0.01 . 1 . . . . 3 G H4' . 15781 1
181 . 2 2 3 3 G H5' H 1 4.48 0.01 . 2 . . . . 3 G H5' . 15781 1
182 . 2 2 3 3 G H5'' H 1 4.14 0.01 . 2 . . . . 3 G H5'' . 15781 1
183 . 2 2 3 3 G H8 H 1 7.33 0.01 . 1 . . . . 3 G H8 . 15781 1
184 . 2 2 3 3 G C1' C 13 92.59 0.05 . 1 . . . . 3 G C1' . 15781 1
185 . 2 2 3 3 G C2' C 13 75.46 0.10 . 1 . . . . 3 G C2' . 15781 1
186 . 2 2 3 3 G C3' C 13 73.03 0.05 . 1 . . . . 3 G C3' . 15781 1
187 . 2 2 3 3 G C4' C 13 82.04 0.05 . 1 . . . . 3 G C4' . 15781 1
188 . 2 2 3 3 G C5' C 13 66.04 0.05 . 1 . . . . 3 G C5' . 15781 1
189 . 2 2 3 3 G C8 C 13 135.68 0.05 . 1 . . . . 3 G C8 . 15781 1
190 . 2 2 3 3 G P P 31 -3.99 0.01 . 1 . . . . 3 G P . 15781 1
191 . 2 2 4 4 C H1' H 1 5.44 0.01 . 1 . . . . 4 C H1' . 15781 1
192 . 2 2 4 4 C H2' H 1 4.41 0.01 . 1 . . . . 4 C H2' . 15781 1
193 . 2 2 4 4 C H3' H 1 4.31 0.01 . 1 . . . . 4 C H3' . 15781 1
194 . 2 2 4 4 C H4' H 1 4.40 0.01 . 1 . . . . 4 C H4' . 15781 1
195 . 2 2 4 4 C H5 H 1 5.23 0.01 . 1 . . . . 4 C H5 . 15781 1
196 . 2 2 4 4 C H5' H 1 4.48 0.01 . 2 . . . . 4 C H5' . 15781 1
197 . 2 2 4 4 C H5'' H 1 4.04 0.01 . 2 . . . . 4 C H5'' . 15781 1
198 . 2 2 4 4 C H6 H 1 7.36 0.01 . 1 . . . . 4 C H6 . 15781 1
199 . 2 2 4 4 C H41 H 1 8.36 0.01 . 2 . . . . 4 C H41 . 15781 1
200 . 2 2 4 4 C H42 H 1 6.91 0.01 . 2 . . . . 4 C H42 . 15781 1
201 . 2 2 4 4 C C1' C 13 94.26 0.05 . 1 . . . . 4 C C1' . 15781 1
202 . 2 2 4 4 C C2' C 13 75.49 0.10 . 1 . . . . 4 C C2' . 15781 1
203 . 2 2 4 4 C C3' C 13 72.25 0.05 . 1 . . . . 4 C C3' . 15781 1
204 . 2 2 4 4 C C4' C 13 81.98 0.05 . 1 . . . . 4 C C4' . 15781 1
205 . 2 2 4 4 C C5 C 13 97.59 0.05 . 1 . . . . 4 C C5 . 15781 1
206 . 2 2 4 4 C C5' C 13 64.72 0.05 . 1 . . . . 4 C C5' . 15781 1
207 . 2 2 4 4 C C6 C 13 140.22 0.05 . 1 . . . . 4 C C6 . 15781 1
208 . 2 2 4 4 C P P 31 -4.27 0.01 . 1 . . . . 4 C P . 15781 1
209 . 2 2 5 5 C H1' H 1 5.51 0.01 . 1 . . . . 5 C H1' . 15781 1
210 . 2 2 5 5 C H2' H 1 4.52 0.01 . 1 . . . . 5 C H2' . 15781 1
211 . 2 2 5 5 C H3' H 1 4.58 0.01 . 1 . . . . 5 C H3' . 15781 1
212 . 2 2 5 5 C H4' H 1 4.37 0.01 . 1 . . . . 5 C H4' . 15781 1
213 . 2 2 5 5 C H5 H 1 5.59 0.01 . 1 . . . . 5 C H5 . 15781 1
214 . 2 2 5 5 C H5' H 1 4.52 0.01 . 2 . . . . 5 C H5' . 15781 1
215 . 2 2 5 5 C H5'' H 1 4.09 0.01 . 2 . . . . 5 C H5'' . 15781 1
216 . 2 2 5 5 C H6 H 1 7.78 0.01 . 1 . . . . 5 C H6 . 15781 1
217 . 2 2 5 5 C H41 H 1 8.41 0.01 . 2 . . . . 5 C H41 . 15781 1
218 . 2 2 5 5 C H42 H 1 6.89 0.01 . 2 . . . . 5 C H42 . 15781 1
219 . 2 2 5 5 C C1' C 13 93.78 0.05 . 1 . . . . 5 C C1' . 15781 1
220 . 2 2 5 5 C C2' C 13 75.32 0.10 . 1 . . . . 5 C C2' . 15781 1
221 . 2 2 5 5 C C3' C 13 72.12 0.05 . 1 . . . . 5 C C3' . 15781 1
222 . 2 2 5 5 C C4' C 13 81.80 0.05 . 1 . . . . 5 C C4' . 15781 1
223 . 2 2 5 5 C C5 C 13 98.53 0.05 . 1 . . . . 5 C C5 . 15781 1
224 . 2 2 5 5 C C5' C 13 64.24 0.05 . 1 . . . . 5 C C5' . 15781 1
225 . 2 2 5 5 C C6 C 13 140.46 0.05 . 1 . . . . 5 C C6 . 15781 1
226 . 2 2 5 5 C P P 31 -4.34 0.01 . 1 . . . . 5 C P . 15781 1
227 . 2 2 6 6 G H1 H 1 12.55 0.01 . 1 . . . . 6 G H1 . 15781 1
228 . 2 2 6 6 G H1' H 1 5.61 0.01 . 1 . . . . 6 G H1' . 15781 1
229 . 2 2 6 6 G H2' H 1 4.51 0.01 . 1 . . . . 6 G H2' . 15781 1
230 . 2 2 6 6 G H3' H 1 4.62 0.01 . 1 . . . . 6 G H3' . 15781 1
231 . 2 2 6 6 G H4' H 1 4.46 0.01 . 1 . . . . 6 G H4' . 15781 1
232 . 2 2 6 6 G H5' H 1 4.47 0.01 . 2 . . . . 6 G H5' . 15781 1
233 . 2 2 6 6 G H5'' H 1 4.12 0.01 . 2 . . . . 6 G H5'' . 15781 1
234 . 2 2 6 6 G H8 H 1 7.55 0.01 . 1 . . . . 6 G H8 . 15781 1
235 . 2 2 6 6 G C1' C 13 92.71 0.05 . 1 . . . . 6 G C1' . 15781 1
236 . 2 2 6 6 G C2' C 13 75.46 0.10 . 1 . . . . 6 G C2' . 15781 1
237 . 2 2 6 6 G C3' C 13 72.85 0.05 . 1 . . . . 6 G C3' . 15781 1
238 . 2 2 6 6 G C5' C 13 65.43 0.05 . 1 . . . . 6 G C5' . 15781 1
239 . 2 2 6 6 G C8 C 13 136.03 0.05 . 1 . . . . 6 G C8 . 15781 1
240 . 2 2 6 6 G P P 31 -3.88 0.01 . 1 . . . . 6 G P . 15781 1
241 . 2 2 7 7 A H1' H 1 5.92 0.01 . 1 . . . . 7 A H1' . 15781 1
242 . 2 2 7 7 A H2 H 1 7.85 0.01 . 1 . . . . 7 A H2 . 15781 1
243 . 2 2 7 7 A H2' H 1 4.40 0.01 . 1 . . . . 7 A H2' . 15781 1
244 . 2 2 7 7 A H3' H 1 4.62 0.01 . 1 . . . . 7 A H3' . 15781 1
245 . 2 2 7 7 A H4' H 1 4.46 0.01 . 1 . . . . 7 A H4' . 15781 1
246 . 2 2 7 7 A H5' H 1 4.60 0.01 . 2 . . . . 7 A H5' . 15781 1
247 . 2 2 7 7 A H5'' H 1 4.10 0.01 . 2 . . . . 7 A H5'' . 15781 1
248 . 2 2 7 7 A H8 H 1 7.82 0.01 . 1 . . . . 7 A H8 . 15781 1
249 . 2 2 7 7 A C1' C 13 93.10 0.05 . 1 . . . . 7 A C1' . 15781 1
250 . 2 2 7 7 A C2 C 13 154.30 0.05 . 1 . . . . 7 A C2 . 15781 1
251 . 2 2 7 7 A C2' C 13 75.71 0.05 . 1 . . . . 7 A C2' . 15781 1
252 . 2 2 7 7 A C3' C 13 72.37 0.05 . 1 . . . . 7 A C3' . 15781 1
253 . 2 2 7 7 A C5' C 13 64.66 0.05 . 1 . . . . 7 A C5' . 15781 1
254 . 2 2 7 7 A C8 C 13 139.23 0.05 . 1 . . . . 7 A C8 . 15781 1
255 . 2 2 7 7 A P P 31 -4.24 0.01 . 1 . . . . 7 A P . 15781 1
256 . 2 2 8 8 C H1' H 1 5.65 0.01 . 1 . . . . 8 C H1' . 15781 1
257 . 2 2 8 8 C H2' H 1 3.90 0.01 . 1 . . . . 8 C H2' . 15781 1
258 . 2 2 8 8 C H3' H 1 4.04 0.01 . 1 . . . . 8 C H3' . 15781 1
259 . 2 2 8 8 C H4' H 1 4.13 0.01 . 1 . . . . 8 C H4' . 15781 1
260 . 2 2 8 8 C H5 H 1 5.19 0.01 . 1 . . . . 8 C H5 . 15781 1
261 . 2 2 8 8 C H5' H 1 4.45 0.01 . 2 . . . . 8 C H5' . 15781 1
262 . 2 2 8 8 C H5'' H 1 3.99 0.01 . 2 . . . . 8 C H5'' . 15781 1
263 . 2 2 8 8 C H6 H 1 7.33 0.01 . 1 . . . . 8 C H6 . 15781 1
264 . 2 2 8 8 C H41 H 1 8.21 0.01 . 2 . . . . 8 C H41 . 15781 1
265 . 2 2 8 8 C H42 H 1 7.07 0.01 . 2 . . . . 8 C H42 . 15781 1
266 . 2 2 8 8 C C1' C 13 92.68 0.05 . 1 . . . . 8 C C1' . 15781 1
267 . 2 2 8 8 C C2' C 13 77.55 0.05 . 1 . . . . 8 C C2' . 15781 1
268 . 2 2 8 8 C C3' C 13 69.79 0.05 . 1 . . . . 8 C C3' . 15781 1
269 . 2 2 8 8 C C4' C 13 83.30 0.05 . 1 . . . . 8 C C4' . 15781 1
270 . 2 2 8 8 C C5 C 13 97.70 0.05 . 1 . . . . 8 C C5 . 15781 1
271 . 2 2 8 8 C C5' C 13 65.14 0.05 . 1 . . . . 8 C C5' . 15781 1
272 . 2 2 8 8 C C6 C 13 141.04 0.05 . 1 . . . . 8 C C6 . 15781 1
273 . 2 2 8 8 C P P 31 -4.16 0.01 . 1 . . . . 8 C P . 15781 1
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