###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5559
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 . 5559 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 5.700 0.005 . 1 . . . . . . . . 5559 1
2 . 1 1 1 1 G H2' H 1 4.738 0.002 . 1 . . . . . . . . 5559 1
3 . 1 1 1 1 G H8 H 1 8.007 0.013 . 1 . . . . . . . . 5559 1
4 . 1 1 2 2 A C1' C 13 90.952 0.1 . 1 . . . . . . . . 5559 1
5 . 1 1 2 2 A C2 C 13 155.208 0.1 . 1 . . . . . . . . 5559 1
6 . 1 1 2 2 A H1' H 1 5.985 0.010 . 1 . . . . . . . . 5559 1
7 . 1 1 2 2 A H2 H 1 8.014 0.005 . 1 . . . . . . . . 5559 1
8 . 1 1 2 2 A H2' H 1 4.776 0.009 . 1 . . . . . . . . 5559 1
9 . 1 1 2 2 A H8 H 1 8.259 0.010 . 1 . . . . . . . . 5559 1
10 . 1 1 3 3 C C1' C 13 93.152 0.1 . 1 . . . . . . . . 5559 1
11 . 1 1 3 3 C C5 C 13 98.527 0.1 . 1 . . . . . . . . 5559 1
12 . 1 1 3 3 C H1' H 1 5.412 0.011 . 1 . . . . . . . . 5559 1
13 . 1 1 3 3 C H2' H 1 4.523 0.004 . 1 . . . . . . . . 5559 1
14 . 1 1 3 3 C H5 H 1 5.699 0.014 . 1 . . . . . . . . 5559 1
15 . 1 1 3 3 C H6 H 1 7.791 0.011 . 1 . . . . . . . . 5559 1
16 . 1 1 4 4 A C1' C 13 92.733 0.1 . 1 . . . . . . . . 5559 1
17 . 1 1 4 4 A C2 C 13 152.827 0.1 . 1 . . . . . . . . 5559 1
18 . 1 1 4 4 A H1' H 1 5.969 0.002 . 1 . . . . . . . . 5559 1
19 . 1 1 4 4 A H2 H 1 7.293 0.003 . 1 . . . . . . . . 5559 1
20 . 1 1 4 4 A H2' H 1 4.766 0.002 . 1 . . . . . . . . 5559 1
21 . 1 1 4 4 A H5' H 1 4.274 0.002 . 1 . . . . . . . . 5559 1
22 . 1 1 4 4 A H8 H 1 8.143 0.004 . 1 . . . . . . . . 5559 1
23 . 1 1 5 5 G C1' C 13 92.870 0.1 . 1 . . . . . . . . 5559 1
24 . 1 1 5 5 G C2' C 13 75.441 0.1 . 1 . . . . . . . . 5559 1
25 . 1 1 5 5 G C8 C 13 136.063 0.1 . 1 . . . . . . . . 5559 1
26 . 1 1 5 5 G H1' H 1 5.632 0.001 . 1 . . . . . . . . 5559 1
27 . 1 1 5 5 G H2' H 1 4.416 0.002 . 1 . . . . . . . . 5559 1
28 . 1 1 5 5 G H3' H 1 4.499 0.004 . 1 . . . . . . . . 5559 1
29 . 1 1 5 5 G H4' H 1 4.565 0.003 . 1 . . . . . . . . 5559 1
30 . 1 1 5 5 G H5'' H 1 4.452 0.002 . 1 . . . . . . . . 5559 1
31 . 1 1 5 5 G H5' H 1 4.130 0.001 . 1 . . . . . . . . 5559 1
32 . 1 1 5 5 G H8 H 1 7.278 0.001 . 1 . . . . . . . . 5559 1
33 . 1 1 6 6 U C2' C 13 75.468 0.1 . 1 . . . . . . . . 5559 1
34 . 1 1 6 6 U C5 C 13 102.709 0.1 . 1 . . . . . . . . 5559 1
35 . 1 1 6 6 U H1' H 1 5.586 0.001 . 1 . . . . . . . . 5559 1
36 . 1 1 6 6 U H2' H 1 4.524 0.002 . 1 . . . . . . . . 5559 1
37 . 1 1 6 6 U H5 H 1 5.078 0.003 . 1 . . . . . . . . 5559 1
38 . 1 1 6 6 U H5' H 1 4.110 0.003 . 1 . . . . . . . . 5559 1
39 . 1 1 6 6 U H6 H 1 7.763 0.004 . 1 . . . . . . . . 5559 1
40 . 1 1 7 7 C C1' C 13 94.218 0.1 . 1 . . . . . . . . 5559 1
41 . 1 1 7 7 C C2' C 13 75.649 0.1 . 1 . . . . . . . . 5559 1
42 . 1 1 7 7 C C5 C 13 97.841 0.1 . 1 . . . . . . . . 5559 1
43 . 1 1 7 7 C H1' H 1 5.620 0.001 . 1 . . . . . . . . 5559 1
44 . 1 1 7 7 C H2' H 1 4.366 0.002 . 1 . . . . . . . . 5559 1
45 . 1 1 7 7 C H3' H 1 4.485 0.003 . 1 . . . . . . . . 5559 1
46 . 1 1 7 7 C H5 H 1 5.694 0.002 . 1 . . . . . . . . 5559 1
47 . 1 1 7 7 C H5' H 1 4.130 0.001 . 1 . . . . . . . . 5559 1
48 . 1 1 7 7 C H6 H 1 7.893 0.003 . 1 . . . . . . . . 5559 1
49 . 1 1 8 8 U C1' C 13 93.794 0.1 . 1 . . . . . . . . 5559 1
50 . 1 1 8 8 U C2' C 13 75.334 0.1 . 1 . . . . . . . . 5559 1
51 . 1 1 8 8 U C5 C 13 103.412 0.1 . 1 . . . . . . . . 5559 1
52 . 1 1 8 8 U C6 C 13 142.374 0.1 . 1 . . . . . . . . 5559 1
53 . 1 1 8 8 U H1' H 1 5.543 0.001 . 1 . . . . . . . . 5559 1
54 . 1 1 8 8 U H2' H 1 4.550 0.002 . 1 . . . . . . . . 5559 1
55 . 1 1 8 8 U H5 H 1 5.431 0.002 . 1 . . . . . . . . 5559 1
56 . 1 1 8 8 U H5'' H 1 4.602 0.005 . 1 . . . . . . . . 5559 1
57 . 1 1 8 8 U H5' H 1 4.124 0.003 . 1 . . . . . . . . 5559 1
58 . 1 1 8 8 U H6 H 1 7.940 0.003 . 1 . . . . . . . . 5559 1
59 . 1 1 9 9 C C1' C 13 94.002 0.1 . 1 . . . . . . . . 5559 1
60 . 1 1 9 9 C C2' C 13 75.634 0.1 . 1 . . . . . . . . 5559 1
61 . 1 1 9 9 C C3' C 13 72.089 0.1 . 1 . . . . . . . . 5559 1
62 . 1 1 9 9 C C5 C 13 97.573 0.1 . 1 . . . . . . . . 5559 1
63 . 1 1 9 9 C H1' H 1 5.560 0.003 . 1 . . . . . . . . 5559 1
64 . 1 1 9 9 C H2' H 1 4.453 0.002 . 1 . . . . . . . . 5559 1
65 . 1 1 9 9 C H3' H 1 4.328 0.004 . 1 . . . . . . . . 5559 1
66 . 1 1 9 9 C H5 H 1 5.636 0.002 . 1 . . . . . . . . 5559 1
67 . 1 1 9 9 C H6 H 1 7.776 0.003 . 1 . . . . . . . . 5559 1
68 . 1 1 10 10 U C1' C 13 94.443 0.1 . 1 . . . . . . . . 5559 1
69 . 1 1 10 10 U C2' C 13 76.032 0.1 . 1 . . . . . . . . 5559 1
70 . 1 1 10 10 U C5 C 13 105.102 0.1 . 1 . . . . . . . . 5559 1
71 . 1 1 10 10 U H1' H 1 5.555 0.001 . 1 . . . . . . . . 5559 1
72 . 1 1 10 10 U H2' H 1 3.811 0.001 . 1 . . . . . . . . 5559 1
73 . 1 1 10 10 U H3' H 1 4.597 0.004 . 1 . . . . . . . . 5559 1
74 . 1 1 10 10 U H4' H 1 4.555 0.002 . 1 . . . . . . . . 5559 1
75 . 1 1 10 10 U H5 H 1 5.757 0.002 . 1 . . . . . . . . 5559 1
76 . 1 1 10 10 U H5'' H 1 4.545 0.001 . 1 . . . . . . . . 5559 1
77 . 1 1 10 10 U H5' H 1 4.139 0.005 . 1 . . . . . . . . 5559 1
78 . 1 1 10 10 U H6 H 1 7.790 0.001 . 1 . . . . . . . . 5559 1
79 . 1 1 11 11 A C1' C 13 88.350 0.1 . 1 . . . . . . . . 5559 1
80 . 1 1 11 11 A C2 C 13 155.829 0.1 . 1 . . . . . . . . 5559 1
81 . 1 1 11 11 A C2' C 13 75.542 0.1 . 1 . . . . . . . . 5559 1
82 . 1 1 11 11 A C3' C 13 78.227 0.1 . 1 . . . . . . . . 5559 1
83 . 1 1 11 11 A C4' C 13 87.418 0.1 . 1 . . . . . . . . 5559 1
84 . 1 1 11 11 A C8 C 13 143.175 0.1 . 1 . . . . . . . . 5559 1
85 . 1 1 11 11 A H1' H 1 6.143 0.003 . 1 . . . . . . . . 5559 1
86 . 1 1 11 11 A H2 H 1 8.300 0.003 . 1 . . . . . . . . 5559 1
87 . 1 1 11 11 A H2' H 1 5.118 0.002 . 1 . . . . . . . . 5559 1
88 . 1 1 11 11 A H3' H 1 4.143 0.002 . 1 . . . . . . . . 5559 1
89 . 1 1 11 11 A H4' H 1 4.590 0.002 . 1 . . . . . . . . 5559 1
90 . 1 1 11 11 A H5'' H 1 4.074 0.002 . 1 . . . . . . . . 5559 1
91 . 1 1 11 11 A H5' H 1 4.210 0.003 . 1 . . . . . . . . 5559 1
92 . 1 1 11 11 A H8 H 1 8.779 0.002 . 1 . . . . . . . . 5559 1
93 . 1 1 12 12 C C1' C 13 89.173 0.1 . 1 . . . . . . . . 5559 1
94 . 1 1 12 12 C C2' C 13 77.612 0.1 . 1 . . . . . . . . 5559 1
95 . 1 1 12 12 C C3' C 13 80.220 0.1 . 1 . . . . . . . . 5559 1
96 . 1 1 12 12 C C4' C 13 84.548 0.1 . 1 . . . . . . . . 5559 1
97 . 1 1 12 12 C C5 C 13 98.736 0.1 . 1 . . . . . . . . 5559 1
98 . 1 1 12 12 C C5' C 13 67.486 0.1 . 1 . . . . . . . . 5559 1
99 . 1 1 12 12 C C6 C 13 142.927 0.1 . 1 . . . . . . . . 5559 1
100 . 1 1 12 12 C H1' H 1 5.966 0.002 . 1 . . . . . . . . 5559 1
101 . 1 1 12 12 C H2' H 1 4.126 0.003 . 1 . . . . . . . . 5559 1
102 . 1 1 12 12 C H3' H 1 4.515 0.002 . 1 . . . . . . . . 5559 1
103 . 1 1 12 12 C H4' H 1 3.817 0.002 . 1 . . . . . . . . 5559 1
104 . 1 1 12 12 C H5 H 1 6.180 0.001 . 1 . . . . . . . . 5559 1
105 . 1 1 12 12 C H5'' H 1 3.650 0.002 . 1 . . . . . . . . 5559 1
106 . 1 1 12 12 C H5' H 1 2.787 0.002 . 1 . . . . . . . . 5559 1
107 . 1 1 12 12 C H6 H 1 7.709 0.002 . 1 . . . . . . . . 5559 1
108 . 1 1 13 13 G C1' C 13 94.540 0.1 . 1 . . . . . . . . 5559 1
109 . 1 1 13 13 G C2' C 13 77.339 0.1 . 1 . . . . . . . . 5559 1
110 . 1 1 13 13 G C3' C 13 75.993 0.1 . 1 . . . . . . . . 5559 1
111 . 1 1 13 13 G C5' C 13 69.057 0.1 . 1 . . . . . . . . 5559 1
112 . 1 1 13 13 G H1' H 1 5.960 0.002 . 1 . . . . . . . . 5559 1
113 . 1 1 13 13 G H2' H 1 4.838 0.002 . 1 . . . . . . . . 5559 1
114 . 1 1 13 13 G H3' H 1 5.633 0.001 . 1 . . . . . . . . 5559 1
115 . 1 1 13 13 G H4' H 1 4.421 0.002 . 1 . . . . . . . . 5559 1
116 . 1 1 13 13 G H5'' H 1 4.422 0.002 . 1 . . . . . . . . 5559 1
117 . 1 1 13 13 G H5' H 1 4.209 0.002 . 1 . . . . . . . . 5559 1
118 . 1 1 13 13 G H8 H 1 7.828 0.001 . 1 . . . . . . . . 5559 1
119 . 1 1 14 14 G C1' C 13 93.152 0.1 . 1 . . . . . . . . 5559 1
120 . 1 1 14 14 G C2' C 13 75.204 0.1 . 1 . . . . . . . . 5559 1
121 . 1 1 14 14 G C3' C 13 74.686 0.1 . 1 . . . . . . . . 5559 1
122 . 1 1 14 14 G C5' C 13 69.751 0.1 . 1 . . . . . . . . 5559 1
123 . 1 1 14 14 G H1' H 1 4.437 0.004 . 1 . . . . . . . . 5559 1
124 . 1 1 14 14 G H2' H 1 4.533 0.002 . 1 . . . . . . . . 5559 1
125 . 1 1 14 14 G H3' H 1 4.353 0.004 . 1 . . . . . . . . 5559 1
126 . 1 1 14 14 G H4' H 1 4.414 0.010 . 1 . . . . . . . . 5559 1
127 . 1 1 14 14 G H5'' H 1 4.537 0.001 . 1 . . . . . . . . 5559 1
128 . 1 1 14 14 G H5' H 1 4.307 0.001 . 1 . . . . . . . . 5559 1
129 . 1 1 14 14 G H8 H 1 8.298 0.002 . 1 . . . . . . . . 5559 1
130 . 1 1 15 15 A C1' C 13 93.041 0.1 . 1 . . . . . . . . 5559 1
131 . 1 1 15 15 A C2 C 13 153.414 0.1 . 1 . . . . . . . . 5559 1
132 . 1 1 15 15 A C2' C 13 75.818 0.1 . 1 . . . . . . . . 5559 1
133 . 1 1 15 15 A H1' H 1 5.985 0.003 . 1 . . . . . . . . 5559 1
134 . 1 1 15 15 A H2 H 1 7.469 0.002 . 1 . . . . . . . . 5559 1
135 . 1 1 15 15 A H2' H 1 4.714 0.003 . 1 . . . . . . . . 5559 1
136 . 1 1 15 15 A H3' H 1 4.686 0.004 . 1 . . . . . . . . 5559 1
137 . 1 1 15 15 A H8 H 1 7.761 0.001 . 1 . . . . . . . . 5559 1
138 . 1 1 16 16 G C1' C 13 92.789 0.1 . 1 . . . . . . . . 5559 1
139 . 1 1 16 16 G C2' C 13 75.566 0.1 . 1 . . . . . . . . 5559 1
140 . 1 1 16 16 G C5' C 13 66.117 0.1 . 1 . . . . . . . . 5559 1
141 . 1 1 16 16 G C8 C 13 135.999 0.1 . 1 . . . . . . . . 5559 1
142 . 1 1 16 16 G H1' H 1 5.614 0.002 . 1 . . . . . . . . 5559 1
143 . 1 1 16 16 G H2' H 1 4.554 0.001 . 1 . . . . . . . . 5559 1
144 . 1 1 16 16 G H5'' H 1 4.461 0.001 . 1 . . . . . . . . 5559 1
145 . 1 1 16 16 G H5' H 1 4.079 0.001 . 1 . . . . . . . . 5559 1
146 . 1 1 16 16 G H8 H 1 7.117 0.003 . 1 . . . . . . . . 5559 1
147 . 1 1 17 17 A C1' C 13 93.041 0.1 . 1 . . . . . . . . 5559 1
148 . 1 1 17 17 A C2 C 13 154.212 0.1 . 1 . . . . . . . . 5559 1
149 . 1 1 17 17 A C2' C 13 75.674 0.1 . 1 . . . . . . . . 5559 1
150 . 1 1 17 17 A H1' H 1 5.985 0.003 . 1 . . . . . . . . 5559 1
151 . 1 1 17 17 A H2 H 1 7.838 0.002 . 1 . . . . . . . . 5559 1
152 . 1 1 17 17 A H2' H 1 4.614 0.002 . 1 . . . . . . . . 5559 1
153 . 1 1 17 17 A H5' H 1 4.141 0.001 . 1 . . . . . . . . 5559 1
154 . 1 1 17 17 A H8 H 1 7.800 0.002 . 1 . . . . . . . . 5559 1
155 . 1 1 18 18 C C1' C 13 94.073 0.1 . 1 . . . . . . . . 5559 1
156 . 1 1 18 18 C C2' C 13 75.656 0.1 . 1 . . . . . . . . 5559 1
157 . 1 1 18 18 C C3' C 13 72.611 0.1 . 1 . . . . . . . . 5559 1
158 . 1 1 18 18 C C5 C 13 97.454 0.1 . 1 . . . . . . . . 5559 1
159 . 1 1 18 18 C C5' C 13 65.013 0.1 . 1 . . . . . . . . 5559 1
160 . 1 1 18 18 C H1' H 1 5.392 0.002 . 1 . . . . . . . . 5559 1
161 . 1 1 18 18 C H2' H 1 4.284 0.002 . 1 . . . . . . . . 5559 1
162 . 1 1 18 18 C H3' H 1 4.337 0.003 . 1 . . . . . . . . 5559 1
163 . 1 1 18 18 C H4' H 1 4.427 0.003 . 1 . . . . . . . . 5559 1
164 . 1 1 18 18 C H5 H 1 5.244 0.002 . 1 . . . . . . . . 5559 1
165 . 1 1 18 18 C H5'' H 1 4.506 0.004 . 1 . . . . . . . . 5559 1
166 . 1 1 18 18 C H5' H 1 4.059 0.002 . 1 . . . . . . . . 5559 1
167 . 1 1 18 18 C H6 H 1 7.431 0.003 . 1 . . . . . . . . 5559 1
168 . 1 1 19 19 U C2' C 13 75.505 0.1 . 1 . . . . . . . . 5559 1
169 . 1 1 19 19 U C5 C 13 103.965 0.1 . 1 . . . . . . . . 5559 1
170 . 1 1 19 19 U H1' H 1 5.586 0.001 . 1 . . . . . . . . 5559 1
171 . 1 1 19 19 U H2' H 1 4.388 0.003 . 1 . . . . . . . . 5559 1
172 . 1 1 19 19 U H5 H 1 5.390 0.002 . 1 . . . . . . . . 5559 1
173 . 1 1 19 19 U H6 H 1 7.801 0.001 . 1 . . . . . . . . 5559 1
174 . 1 1 20 20 G C1' C 13 90.882 0.1 . 1 . . . . . . . . 5559 1
175 . 1 1 20 20 G C2' C 13 78.050 0.1 . 1 . . . . . . . . 5559 1
176 . 1 1 20 20 G C3' C 13 71.047 0.1 . 1 . . . . . . . . 5559 1
177 . 1 1 20 20 G C4' C 13 84.474 0.1 . 1 . . . . . . . . 5559 1
178 . 1 1 20 20 G H1' H 1 5.918 0.002 . 1 . . . . . . . . 5559 1
179 . 1 1 20 20 G H2' H 1 4.211 0.003 . 1 . . . . . . . . 5559 1
180 . 1 1 20 20 G H3' H 1 4.397 0.005 . 1 . . . . . . . . 5559 1
181 . 1 1 20 20 G H4' H 1 4.301 0.002 . 1 . . . . . . . . 5559 1
182 . 1 1 20 20 G H5'' H 1 4.482 0.010 . 1 . . . . . . . . 5559 1
183 . 1 1 20 20 G H5' H 1 4.106 0.002 . 1 . . . . . . . . 5559 1
184 . 1 1 20 20 G H8 H 1 7.784 0.003 . 1 . . . . . . . . 5559 1
stop_
save_