###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5637
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5637 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 DT H6 H 1 7.597 0.002 . 1 . . . . . . . . 5637 1
2 . 1 1 1 1 DT H1' H 1 6.212 0.002 . 1 . . . . . . . . 5637 1
3 . 1 1 1 1 DT H2' H 1 2.356 0.002 . 1 . . . . . . . . 5637 1
4 . 1 1 1 1 DT H2'' H 1 2.537 0.002 . 1 . . . . . . . . 5637 1
5 . 1 1 1 1 DT H3' H 1 4.803 0.002 . 1 . . . . . . . . 5637 1
6 . 1 1 1 1 DT C6 C 13 139.81 0.02 . 1 . . . . . . . . 5637 1
7 . 1 1 1 1 DT C1' C 13 87.83 0.02 . 1 . . . . . . . . 5637 1
8 . 1 1 1 1 DT C2' C 13 40.42 0.02 . 1 . . . . . . . . 5637 1
9 . 1 1 1 1 DT C3' C 13 77.79 0.02 . 1 . . . . . . . . 5637 1
10 . 1 1 2 2 DT H6 H 1 7.610 0.002 . 1 . . . . . . . . 5637 1
11 . 1 1 2 2 DT H1' H 1 6.267 0.002 . 1 . . . . . . . . 5637 1
12 . 1 1 2 2 DT H2' H 1 2.318 0.002 . 1 . . . . . . . . 5637 1
13 . 1 1 2 2 DT H2'' H 1 2.504 0.002 . 1 . . . . . . . . 5637 1
14 . 1 1 2 2 DT H3' H 1 4.831 0.002 . 1 . . . . . . . . 5637 1
15 . 1 1 2 2 DT C6 C 13 139.64 0.02 . 1 . . . . . . . . 5637 1
16 . 1 1 2 2 DT C1' C 13 87.56 0.02 . 1 . . . . . . . . 5637 1
17 . 1 1 2 2 DT C2' C 13 40.43 0.02 . 1 . . . . . . . . 5637 1
18 . 1 1 2 2 DT C3' C 13 78.30 0.02 . 1 . . . . . . . . 5637 1
19 . 1 1 3 3 DC H5 H 1 6.044 0.002 . 1 . . . . . . . . 5637 1
20 . 1 1 3 3 DC H6 H 1 7.765 0.002 . 1 . . . . . . . . 5637 1
21 . 1 1 3 3 DC H1' H 1 6.268 0.002 . 1 . . . . . . . . 5637 1
22 . 1 1 3 3 DC H2' H 1 2.256 0.002 . 1 . . . . . . . . 5637 1
23 . 1 1 3 3 DC H2'' H 1 2.513 0.002 . 1 . . . . . . . . 5637 1
24 . 1 1 3 3 DC H3' H 1 4.868 0.002 . 1 . . . . . . . . 5637 1
25 . 1 1 3 3 DC C5 C 13 99.00 0.02 . 1 . . . . . . . . 5637 1
26 . 1 1 3 3 DC C6 C 13 143.83 0.02 . 1 . . . . . . . . 5637 1
27 . 1 1 3 3 DC C1' C 13 88.32 0.02 . 1 . . . . . . . . 5637 1
28 . 1 1 3 3 DC C2' C 13 41.05 0.02 . 1 . . . . . . . . 5637 1
29 . 1 1 3 3 DC C3' C 13 77.75 0.02 . 1 . . . . . . . . 5637 1
30 . 1 1 4 4 DC H5 H 1 6.019 0.002 . 1 . . . . . . . . 5637 1
31 . 1 1 4 4 DC H6 H 1 7.791 0.002 . 1 . . . . . . . . 5637 1
32 . 1 1 4 4 DC H1' H 1 6.252 0.002 . 1 . . . . . . . . 5637 1
33 . 1 1 4 4 DC H2' H 1 2.251 0.002 . 1 . . . . . . . . 5637 1
34 . 1 1 4 4 DC H2'' H 1 2.513 0.002 . 1 . . . . . . . . 5637 1
35 . 1 1 4 4 DC H3' H 1 4.845 0.002 . 1 . . . . . . . . 5637 1
36 . 1 1 4 4 DC C5 C 13 99.00 0.02 . 1 . . . . . . . . 5637 1
37 . 1 1 4 4 DC C6 C 13 143.72 0.02 . 1 . . . . . . . . 5637 1
38 . 1 1 4 4 DC C1' C 13 88.37 0.02 . 1 . . . . . . . . 5637 1
39 . 1 1 4 4 DC C2' C 13 41.05 0.02 . 1 . . . . . . . . 5637 1
40 . 1 1 4 4 DC C3' C 13 78.06 0.02 . 1 . . . . . . . . 5637 1
41 . 1 1 5 5 DT H6 H 1 7.398 0.002 . 1 . . . . . . . . 5637 1
42 . 1 1 5 5 DT H1' H 1 6.049 0.002 . 1 . . . . . . . . 5637 1
43 . 1 1 5 5 DT H2' H 1 1.898 0.002 . 1 . . . . . . . . 5637 1
44 . 1 1 5 5 DT H2'' H 1 2.278 0.002 . 1 . . . . . . . . 5637 1
45 . 1 1 5 5 DT H3' H 1 4.778 0.002 . 1 . . . . . . . . 5637 1
46 . 1 1 5 5 DT C6 C 13 139.25 0.02 . 1 . . . . . . . . 5637 1
47 . 1 1 5 5 DT C1' C 13 87.38 0.02 . 1 . . . . . . . . 5637 1
48 . 1 1 5 5 DT C2' C 13 39.78 0.02 . 1 . . . . . . . . 5637 1
49 . 1 1 5 5 DT C3' C 13 78.62 0.02 . 1 . . . . . . . . 5637 1
50 . 1 1 6 6 DA H2 H 1 8.151 0.002 . 1 . . . . . . . . 5637 1
51 . 1 1 6 6 DA H8 H 1 8.331 0.002 . 1 . . . . . . . . 5637 1
52 . 1 1 6 6 DA H1' H 1 6.334 0.002 . 1 . . . . . . . . 5637 1
53 . 1 1 6 6 DA H2' H 1 2.755 0.002 . 1 . . . . . . . . 5637 1
54 . 1 1 6 6 DA H2'' H 1 2.821 0.002 . 1 . . . . . . . . 5637 1
55 . 1 1 6 6 DA H3' H 1 4.994 0.002 . 1 . . . . . . . . 5637 1
56 . 1 1 6 6 DA C2 C 13 155.66 0.02 . 1 . . . . . . . . 5637 1
57 . 1 1 6 6 DA C8 C 13 142.18 0.02 . 1 . . . . . . . . 5637 1
58 . 1 1 6 6 DA C1' C 13 86.02 0.02 . 1 . . . . . . . . 5637 1
59 . 1 1 6 6 DA C2' C 13 40.32 0.02 . 1 . . . . . . . . 5637 1
60 . 1 1 6 6 DA C3' C 13 78.51 0.02 . 1 . . . . . . . . 5637 1
61 . 1 1 7 7 DT H6 H 1 7.337 0.002 . 1 . . . . . . . . 5637 1
62 . 1 1 7 7 DT H1' H 1 6.050 0.002 . 1 . . . . . . . . 5637 1
63 . 1 1 7 7 DT H2' H 1 1.979 0.002 . 1 . . . . . . . . 5637 1
64 . 1 1 7 7 DT H2'' H 1 2.302 0.002 . 1 . . . . . . . . 5637 1
65 . 1 1 7 7 DT H3' H 1 4.778 0.002 . 1 . . . . . . . . 5637 1
66 . 1 1 7 7 DT C6 C 13 139.05 0.02 . 1 . . . . . . . . 5637 1
67 . 1 1 7 7 DT C1' C 13 87.08 0.02 . 1 . . . . . . . . 5637 1
68 . 1 1 7 7 DT C2' C 13 39.77 0.02 . 1 . . . . . . . . 5637 1
69 . 1 1 7 7 DT C3' C 13 78.12 0.02 . 1 . . . . . . . . 5637 1
70 . 1 1 8 8 DG H8 H 1 7.914 0.002 . 1 . . . . . . . . 5637 1
71 . 1 1 8 8 DG H1' H 1 6.054 0.002 . 1 . . . . . . . . 5637 1
72 . 1 1 8 8 DG H2' H 1 2.641 0.002 . 1 . . . . . . . . 5637 1
73 . 1 1 8 8 DG H2'' H 1 2.736 0.002 . 1 . . . . . . . . 5637 1
74 . 1 1 8 8 DG H3' H 1 4.960 0.002 . 1 . . . . . . . . 5637 1
75 . 1 1 8 8 DG C8 C 13 139.62 0.02 . 1 . . . . . . . . 5637 1
76 . 1 1 8 8 DG C1' C 13 85.97 0.02 . 1 . . . . . . . . 5637 1
77 . 1 1 8 8 DG C2' C 13 40.05 0.02 . 1 . . . . . . . . 5637 1
78 . 1 1 8 8 DG C3' C 13 78.43 0.02 . 1 . . . . . . . . 5637 1
79 . 1 1 9 9 DT H6 H 1 7.337 0.002 . 1 . . . . . . . . 5637 1
80 . 1 1 9 9 DT H1' H 1 6.050 0.002 . 1 . . . . . . . . 5637 1
81 . 1 1 9 9 DT H2' H 1 1.979 0.002 . 1 . . . . . . . . 5637 1
82 . 1 1 9 9 DT H2'' H 1 2.301 0.002 . 1 . . . . . . . . 5637 1
83 . 1 1 9 9 DT H3' H 1 4.778 0.002 . 1 . . . . . . . . 5637 1
84 . 1 1 9 9 DT C6 C 13 139.07 0.02 . 1 . . . . . . . . 5637 1
85 . 1 1 9 9 DT C1' C 13 87.08 0.02 . 1 . . . . . . . . 5637 1
86 . 1 1 9 9 DT C2' C 13 39.77 0.02 . 1 . . . . . . . . 5637 1
87 . 1 1 9 9 DT C3' C 13 78.12 0.02 . 1 . . . . . . . . 5637 1
88 . 1 1 10 10 DG H8 H 1 7.771 0.002 . 1 . . . . . . . . 5637 1
89 . 1 1 10 10 DG H1' H 1 5.676 0.002 . 1 . . . . . . . . 5637 1
90 . 1 1 10 10 DG H2' H 1 2.436 0.002 . 1 . . . . . . . . 5637 1
91 . 1 1 10 10 DG H2'' H 1 2.436 0.002 . 1 . . . . . . . . 5637 1
92 . 1 1 10 10 DG H3' H 1 4.865 0.002 . 1 . . . . . . . . 5637 1
93 . 1 1 10 10 DG C8 C 13 139.28 0.02 . 1 . . . . . . . . 5637 1
94 . 1 1 10 10 DG C1' C 13 85.72 0.02 . 1 . . . . . . . . 5637 1
95 . 1 1 10 10 DG C2' C 13 39.68 0.02 . 1 . . . . . . . . 5637 1
96 . 1 1 10 10 DG C3' C 13 78.86 0.02 . 1 . . . . . . . . 5637 1
97 . 1 1 11 11 DA H2 H 1 7.934 0.002 . 1 . . . . . . . . 5637 1
98 . 1 1 11 11 DA H8 H 1 8.088 0.002 . 1 . . . . . . . . 5637 1
99 . 1 1 11 11 DA H1' H 1 6.056 0.002 . 1 . . . . . . . . 5637 1
100 . 1 1 11 11 DA H2' H 1 2.540 0.002 . 1 . . . . . . . . 5637 1
101 . 1 1 11 11 DA H2'' H 1 2.638 0.002 . 1 . . . . . . . . 5637 1
102 . 1 1 11 11 DA H3' H 1 4.960 0.002 . 1 . . . . . . . . 5637 1
103 . 1 1 11 11 DA C2 C 13 155.23 0.02 . 1 . . . . . . . . 5637 1
104 . 1 1 11 11 DA C8 C 13 141.59 0.02 . 1 . . . . . . . . 5637 1
105 . 1 1 11 11 DA C1' C 13 85.45 0.02 . 1 . . . . . . . . 5637 1
106 . 1 1 11 11 DA C2' C 13 39.97 0.02 . 1 . . . . . . . . 5637 1
107 . 1 1 11 11 DA C3' C 13 79.05 0.02 . 1 . . . . . . . . 5637 1
108 . 1 1 12 12 DA H2 H 1 7.922 0.002 . 1 . . . . . . . . 5637 1
109 . 1 1 12 12 DA H8 H 1 8.242 0.002 . 1 . . . . . . . . 5637 1
110 . 1 1 12 12 DA H1' H 1 6.237 0.002 . 1 . . . . . . . . 5637 1
111 . 1 1 12 12 DA H2' H 1 2.738 0.002 . 1 . . . . . . . . 5637 1
112 . 1 1 12 12 DA H2'' H 1 2.738 0.002 . 1 . . . . . . . . 5637 1
113 . 1 1 12 12 DA H3' H 1 5.024 0.002 . 1 . . . . . . . . 5637 1
114 . 1 1 12 12 DA C2 C 13 155.30 0.02 . 1 . . . . . . . . 5637 1
115 . 1 1 12 12 DA C8 C 13 141.75 0.02 . 1 . . . . . . . . 5637 1
116 . 1 1 12 12 DA C1' C 13 85.42 0.02 . 1 . . . . . . . . 5637 1
117 . 1 1 12 12 DA C2' C 13 40.56 0.02 . 1 . . . . . . . . 5637 1
118 . 1 1 12 12 DA C3' C 13 78.27 0.02 . 1 . . . . . . . . 5637 1
119 . 1 1 13 13 DT H6 H 1 7.346 0.002 . 1 . . . . . . . . 5637 1
120 . 1 1 13 13 DT H1' H 1 6.105 0.002 . 1 . . . . . . . . 5637 1
121 . 1 1 13 13 DT H2' H 1 2.164 0.002 . 1 . . . . . . . . 5637 1
122 . 1 1 13 13 DT H2'' H 1 2.365 0.002 . 1 . . . . . . . . 5637 1
123 . 1 1 13 13 DT H3' H 1 4.804 0.002 . 1 . . . . . . . . 5637 1
124 . 1 1 13 13 DT C6 C 13 139.08 0.02 . 1 . . . . . . . . 5637 1
125 . 1 1 13 13 DT C1' C 13 86.97 0.02 . 1 . . . . . . . . 5637 1
126 . 1 1 13 13 DT C2' C 13 40.31 0.02 . 1 . . . . . . . . 5637 1
127 . 1 1 13 13 DT C3' C 13 77.60 0.02 . 1 . . . . . . . . 5637 1
128 . 1 1 14 14 DC H5 H 1 5.982 0.002 . 1 . . . . . . . . 5637 1
129 . 1 1 14 14 DC H6 H 1 7.616 0.002 . 1 . . . . . . . . 5637 1
130 . 1 1 14 14 DC H1' H 1 6.142 0.002 . 1 . . . . . . . . 5637 1
131 . 1 1 14 14 DC H2' H 1 1.989 0.002 . 1 . . . . . . . . 5637 1
132 . 1 1 14 14 DC H2'' H 1 2.383 0.002 . 1 . . . . . . . . 5637 1
133 . 1 1 14 14 DC H3' H 1 4.766 0.002 . 1 . . . . . . . . 5637 1
134 . 1 1 14 14 DC C5 C 13 99.02 0.02 . 1 . . . . . . . . 5637 1
135 . 1 1 14 14 DC C6 C 13 143.61 0.02 . 1 . . . . . . . . 5637 1
136 . 1 1 14 14 DC C1' C 13 88.11 0.02 . 1 . . . . . . . . 5637 1
137 . 1 1 14 14 DC C2' C 13 40.56 0.02 . 1 . . . . . . . . 5637 1
138 . 1 1 14 14 DC C3' C 13 78.40 0.02 . 1 . . . . . . . . 5637 1
139 . 1 1 15 15 DG H8 H 1 7.935 0.002 . 1 . . . . . . . . 5637 1
140 . 1 1 15 15 DG H1' H 1 6.152 0.002 . 1 . . . . . . . . 5637 1
141 . 1 1 15 15 DG H2' H 1 2.688 0.002 . 1 . . . . . . . . 5637 1
142 . 1 1 15 15 DG H2'' H 1 2.814 0.002 . 1 . . . . . . . . 5637 1
143 . 1 1 15 15 DG H3' H 1 4.992 0.002 . 1 . . . . . . . . 5637 1
144 . 1 1 15 15 DG C8 C 13 139.89 0.02 . 1 . . . . . . . . 5637 1
145 . 1 1 15 15 DG C1' C 13 86.26 0.02 . 1 . . . . . . . . 5637 1
146 . 1 1 15 15 DG C2' C 13 40.01 0.02 . 1 . . . . . . . . 5637 1
147 . 1 1 15 15 DG C3' C 13 78.63 0.02 . 1 . . . . . . . . 5637 1
148 . 1 1 16 16 DT H6 H 1 7.512 0.002 . 1 . . . . . . . . 5637 1
149 . 1 1 16 16 DT H1' H 1 6.236 0.002 . 1 . . . . . . . . 5637 1
150 . 1 1 16 16 DT H2' H 1 2.364 0.002 . 1 . . . . . . . . 5637 1
151 . 1 1 16 16 DT H2'' H 1 2.508 0.002 . 1 . . . . . . . . 5637 1
152 . 1 1 16 16 DT H3' H 1 4.873 0.002 . 1 . . . . . . . . 5637 1
153 . 1 1 16 16 DT C6 C 13 139.43 0.02 . 1 . . . . . . . . 5637 1
154 . 1 1 16 16 DT C1' C 13 87.32 0.02 . 1 . . . . . . . . 5637 1
155 . 1 1 16 16 DT C2' C 13 40.54 0.02 . 1 . . . . . . . . 5637 1
156 . 1 1 16 16 DT C3' C 13 77.50 0.02 . 1 . . . . . . . . 5637 1
157 . 1 1 17 17 DT H6 H 1 7.623 0.002 . 1 . . . . . . . . 5637 1
158 . 1 1 17 17 DT H1' H 1 6.277 0.002 . 1 . . . . . . . . 5637 1
159 . 1 1 17 17 DT H2' H 1 2.337 0.002 . 1 . . . . . . . . 5637 1
160 . 1 1 17 17 DT H2'' H 1 2.337 0.002 . 1 . . . . . . . . 5637 1
161 . 1 1 17 17 DT H3' H 1 4.544 0.002 . 1 . . . . . . . . 5637 1
162 . 1 1 17 17 DT C6 C 13 139.81 0.02 . 1 . . . . . . . . 5637 1
163 . 1 1 17 17 DT C1' C 13 87.66 0.02 . 1 . . . . . . . . 5637 1
164 . 1 1 17 17 DT C2' C 13 41.51 0.02 . 1 . . . . . . . . 5637 1
165 . 1 1 17 17 DT C3' C 13 73.37 0.02 . 1 . . . . . . . . 5637 1
stop_
save_