###################################
# 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 7392
_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 NOESY' . . . 7392 1
2 'Magnitude COSY' . . . 7392 1
3 E-COSY . . . 7392 1
4 DQF-COSY . . . 7392 1
5 P-COSY . . . 7392 1
6 '2D NOESY' . . . 7392 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 DC H1' H 1 5.74 . . . . . . . 1 C H1' . 7392 1
2 . 1 1 1 1 DC H2' H 1 2.33 . . . . . . . 1 C H2' . 7392 1
3 . 1 1 1 1 DC H2'' H 1 2.57 . . 2 . . . . 1 C H2'' . 7392 1
4 . 1 1 1 1 DC H3' H 1 4.64 . . . . . . . 1 C H3' . 7392 1
5 . 1 1 1 1 DC H4' H 1 3.99 . . . . . . . 1 C H4' . 7392 1
6 . 1 1 1 1 DC H5' H 1 3.99 . . . . . . . 1 C H5' . 7392 1
7 . 1 1 1 1 DC H5'' H 1 3.76 . . 2 . . . . 1 C H5'' . 7392 1
8 . 1 1 1 1 DC H6 H 1 7.90 . . 1 . . . . 1 C H6 . 7392 1
9 . 1 1 2 2 DT H1' H 1 5.99 . . . . . . . 2 T H1' . 7392 1
10 . 1 1 2 2 DT H2' H 1 2.03 . . . . . . . 2 T H2' . 7392 1
11 . 1 1 2 2 DT H2'' H 1 2.56 . . 2 . . . . 2 T H2'' . 7392 1
12 . 1 1 2 2 DT H3' H 1 4.90 . . . . . . . 2 T H3' . 7392 1
13 . 1 1 2 2 DT H4' H 1 4.17 . . . . . . . 2 T H4' . 7392 1
14 . 1 1 2 2 DT H5' H 1 3.99 . . . . . . . 2 T H5' . 7392 1
15 . 1 1 2 2 DT H5'' H 1 3.99 . . 2 . . . . 2 T H5'' . 7392 1
16 . 1 1 2 2 DT H6 H 1 7.69 . . 1 . . . . 2 T H6 . 7392 1
17 . 1 1 3 3 DC H1' H 1 5.88 . . . . . . . 3 C H1' . 7392 1
18 . 1 1 3 3 DC H2' H 1 1.97 . . . . . . . 3 C H2' . 7392 1
19 . 1 1 3 3 DC H2'' H 1 2.53 . . 2 . . . . 3 C H2'' . 7392 1
20 . 1 1 3 3 DC H3' H 1 4.82 . . . . . . . 3 C H3' . 7392 1
21 . 1 1 3 3 DC H4' H 1 4.22 . . . . . . . 3 C H4' . 7392 1
22 . 1 1 3 3 DC H5' H 1 4.02 . . . . . . . 3 C H5' . 7392 1
23 . 1 1 3 3 DC H5'' H 1 7.32 . . 2 . . . . 3 C H5'' . 7392 1
24 . 1 1 3 3 DC H6 H 1 5.48 . . 1 . . . . 3 C H6 . 7392 1
25 . 1 1 4 4 DG H1' H 1 6.51 . . . . . . . 4 G H1' . 7392 1
26 . 1 1 4 4 DG H2' H 1 3.59 . . . . . . . 4 G H2' . 7392 1
27 . 1 1 4 4 DG H2'' H 1 2.21 . . 2 . . . . 4 G H2'' . 7392 1
28 . 1 1 4 4 DG H3' H 1 4.92 . . . . . . . 4 G H3' . 7392 1
29 . 1 1 4 4 DG H4' H 1 4.24 . . . . . . . 4 G H4' . 7392 1
30 . 1 1 5 5 DG H1' H 1 5.73 . . . . . . . 5 G H1' . 7392 1
31 . 1 1 5 5 DG H2' H 1 2.35 . . . . . . . 5 G H2' . 7392 1
32 . 1 1 5 5 DG H2'' H 1 2.47 . . 2 . . . . 5 G H2'' . 7392 1
33 . 1 1 5 5 DG H3' H 1 4.97 . . . . . . . 5 G H3' . 7392 1
34 . 1 1 5 5 DG H4' H 1 4.37 . . . . . . . 5 G H4' . 7392 1
35 . 1 1 5 5 DG H5' H 1 4.13 . . . . . . . 5 G H5' . 7392 1
36 . 1 1 5 5 DG H5'' H 1 3.88 . . 2 . . . . 5 G H5'' . 7392 1
37 . 1 1 6 6 DC H1' H 1 5.59 . . . . . . . 6 C H1' . 7392 1
38 . 1 1 6 6 DC H2' H 1 1.87 . . . . . . . 6 C H2' . 7392 1
39 . 1 1 6 6 DC H2'' H 1 2.27 . . 2 . . . . 6 C H2'' . 7392 1
40 . 1 1 6 6 DC H3' H 1 4.85 . . . . . . . 6 C H3' . 7392 1
41 . 1 1 6 6 DC H4' H 1 4.06 . . . . . . . 6 C H4' . 7392 1
42 . 1 1 6 6 DC H5' H 1 4.87 . . . . . . . 6 C H5' . 7392 1
43 . 1 1 6 6 DC H5'' H 1 4.02 . . 2 . . . . 6 C H5'' . 7392 1
44 . 1 1 6 6 DC H6 H 1 7.23 . . 1 . . . . 6 C H6 . 7392 1
45 . 1 1 7 7 DG H1' H 1 5.69 . . . . . . . 7 G H1' . 7392 1
46 . 1 1 7 7 DG H2' H 1 2.49 . . . . . . . 7 G H2' . 7392 1
47 . 1 1 7 7 DG H2'' H 1 2.55 . . 2 . . . . 7 G H2'' . 7392 1
48 . 1 1 7 7 DG H3' H 1 4.83 . . . . . . . 7 G H3' . 7392 1
49 . 1 1 7 7 DG H4' H 1 4.31 . . . . . . . 7 G H4' . 7392 1
50 . 1 1 7 7 DG H5' H 1 7.82 . . . . . . . 7 G H5' . 7392 1
51 . 1 1 8 8 DC H1' H 1 5.76 . . . . . . . 8 C H1' . 7392 1
52 . 1 1 8 8 DC H2' H 1 1.92 . . . . . . . 8 C H2' . 7392 1
53 . 1 1 8 8 DC H2'' H 1 2.29 . . 2 . . . . 8 C H2'' . 7392 1
54 . 1 1 8 8 DC H3' H 1 4.75 . . . . . . . 8 C H3' . 7392 1
55 . 1 1 8 8 DC H4' H 1 4.06 . . . . . . . 8 C H4' . 7392 1
56 . 1 1 8 8 DC H5' H 1 3.92 . . . . . . . 8 C H5' . 7392 1
57 . 1 1 8 8 DC H5'' H 1 3.99 . . 2 . . . . 8 C H5'' . 7392 1
58 . 1 1 8 8 DC H6 H 1 7.29 . . 1 . . . . 8 C H6 . 7392 1
59 . 1 1 9 9 DC H1' H 1 5.30 . . . . . . . 9 C H1' . 7392 1
60 . 1 1 9 9 DC H2' H 1 1.91 . . . . . . . 9 C H2' . 7392 1
61 . 1 1 9 9 DC H2'' H 1 2.37 . . 2 . . . . 9 C H2'' . 7392 1
62 . 1 1 9 9 DC H3' H 1 4.80 . . . . . . . 9 C H3' . 7392 1
63 . 1 1 9 9 DC H4' H 1 3.92 . . . . . . . 9 C H4' . 7392 1
64 . 1 1 9 9 DC H5' H 1 3.97 . . . . . . . 9 C H5' . 7392 1
65 . 1 1 9 9 DC H5'' H 1 3.93 . . 2 . . . . 9 C H5'' . 7392 1
66 . 1 1 10 10 DA H1' H 1 6.16 . . . . . . . 10 A H1' . 7392 1
67 . 1 1 10 10 DA H2' H 1 2.69 . . . . . . . 10 A H2' . 7392 1
68 . 1 1 10 10 DA H2'' H 1 2.91 . . 2 . . . . 10 A H2'' . 7392 1
69 . 1 1 10 10 DA H3' H 1 4.99 . . . . . . . 10 A H3' . 7392 1
70 . 1 1 10 10 DA H4' H 1 4.30 . . . . . . . 10 A H4' . 7392 1
71 . 1 1 10 10 DA H5' H 1 4.05 . . . . . . . 10 A H5' . 7392 1
72 . 1 1 10 10 DA H5'' H 1 4.18 . . 2 . . . . 10 A H5'' . 7392 1
73 . 1 1 10 10 DA H8 H 1 7.72 . . 1 . . . . 10 A H8 . 7392 1
74 . 1 1 11 11 DT H1' H 1 5.89 . . . . . . . 11 T H1' . 7392 1
75 . 1 1 11 11 DT H2' H 1 2.00 . . . . . . . 11 T H2' . 7392 1
76 . 1 1 11 11 DT H2'' H 1 2.43 . . 2 . . . . 11 T H2'' . 7392 1
77 . 1 1 11 11 DT H3' H 1 4.82 . . . . . . . 11 T H3' . 7392 1
78 . 1 1 11 11 DT H4' H 1 4.70 . . . . . . . 11 T H4' . 7392 1
79 . 1 1 11 11 DT H5' H 1 4.02 . . . . . . . 11 T H5' . 7392 1
80 . 1 1 11 11 DT H5'' H 1 7.19 . . 2 . . . . 11 T H5'' . 7392 1
81 . 1 1 12 12 DC H1' H 1 6.13 . . . . . . . 12 C H1' . 7392 1
82 . 1 1 12 12 DC H2' H 1 2.10 . . . . . . . 12 C H2' . 7392 1
83 . 1 1 12 12 DC H2'' H 1 2.15 . . 2 . . . . 12 C H2'' . 7392 1
84 . 1 1 12 12 DC H3' H 1 4.54 . . . . . . . 12 C H3' . 7392 1
85 . 1 1 12 12 DC H4' H 1 3.88 . . . . . . . 12 C H4' . 7392 1
86 . 1 1 12 12 DC H5' H 1 7.59 . . . . . . . 12 C H5' . 7392 1
87 . 1 1 12 12 DC H5'' H 1 5.55 . . 2 . . . . 12 C H5'' . 7392 1
88 . 2 2 1 1 DG H1' H 1 5.53 . . . . . . . 13 G H1' . 7392 1
89 . 2 2 1 1 DG H2' H 1 2.13 . . . . . . . 13 G H2' . 7392 1
90 . 2 2 1 1 DG H2'' H 1 2.65 . . 2 . . . . 13 G H2'' . 7392 1
91 . 2 2 1 1 DG H3' H 1 4.84 . . . . . . . 13 G H3' . 7392 1
92 . 2 2 1 1 DG H4' H 1 4.17 . . . . . . . 13 G H4' . 7392 1
93 . 2 2 1 1 DG H5' H 1 3.57 . . . . . . . 13 G H5' . 7392 1
94 . 2 2 1 1 DG H5'' H 1 3.68 . . 2 . . . . 13 G H5'' . 7392 1
95 . 2 2 2 2 DA H1' H 1 6.18 . . . . . . . 14 A H1' . 7392 1
96 . 2 2 2 2 DA H2' H 1 2.72 . . . . . . . 14 A H2' . 7392 1
97 . 2 2 2 2 DA H2'' H 1 2.93 . . 2 . . . . 14 A H2'' . 7392 1
98 . 2 2 2 2 DA H3' H 1 4.92 . . . . . . . 14 A H3' . 7392 1
99 . 2 2 2 2 DA H4' H 1 4.35 . . . . . . . 14 A H4' . 7392 1
100 . 2 2 2 2 DA H5' H 1 4.01 . . . . . . . 14 A H5' . 7392 1
101 . 2 2 2 2 DA H5'' H 1 4.14 . . 2 . . . . 14 A H5'' . 7392 1
102 . 2 2 2 2 DA H8 H 1 7.93 . . 1 . . . . 14 A H8 . 7392 1
103 . 2 2 3 3 DT H1' H 1 5.57 . . . . . . . 15 T H1' . 7392 1
104 . 2 2 3 3 DT H2' H 1 1.82 . . . . . . . 15 T H2' . 7392 1
105 . 2 2 3 3 DT H2'' H 1 2.21 . . 2 . . . . 15 T H2'' . 7392 1
106 . 2 2 3 3 DT H3' H 1 4.92 . . . . . . . 15 T H3' . 7392 1
107 . 2 2 3 3 DT H4' H 1 4.02 . . . . . . . 15 T H4' . 7392 1
108 . 2 2 3 3 DT H5' H 1 3.91 . . . . . . . 15 T H5' . 7392 1
109 . 2 2 3 3 DT H5'' H 1 7.08 . . 2 . . . . 15 T H5'' . 7392 1
110 . 2 2 4 4 DG H1' H 1 5.50 . . . . . . . 16 G H1' . 7392 1
111 . 2 2 4 4 DG H2' H 1 2.48 . . . . . . . 16 G H2' . 7392 1
112 . 2 2 4 4 DG H2'' H 1 2.58 . . 2 . . . . 16 G H2'' . 7392 1
113 . 2 2 4 4 DG H3' H 1 4.94 . . . . . . . 16 G H3' . 7392 1
114 . 2 2 4 4 DG H4' H 1 4.22 . . . . . . . 16 G H4' . 7392 1
115 . 2 2 4 4 DG H5' H 1 3.98 . . . . . . . 16 G H5' . 7392 1
116 . 2 2 4 4 DG H5'' H 1 7.76 . . 2 . . . . 16 G H5'' . 7392 1
117 . 2 2 5 5 DG H1' H 1 5.69 . . . . . . . 17 G H1' . 7392 1
118 . 2 2 5 5 DG H2' H 1 2.39 . . . . . . . 17 G H2' . 7392 1
119 . 2 2 5 5 DG H2'' H 1 2.52 . . 2 . . . . 17 G H2'' . 7392 1
120 . 2 2 5 5 DG H3' H 1 4.84 . . . . . . . 17 G H3' . 7392 1
121 . 2 2 5 5 DG H4' H 1 4.36 . . . . . . . 17 G H4' . 7392 1
122 . 2 2 5 5 DG H5' H 1 7.67 . . . . . . . 17 G H5' . 7392 1
123 . 2 2 6 6 DC H1' H 1 5.47 . . . . . . . 18 C H1' . 7392 1
124 . 2 2 6 6 DC H2' H 1 1.81 . . . . . . . 18 C H2' . 7392 1
125 . 2 2 6 6 DC H2'' H 1 2.21 . . 2 . . . . 18 C H2'' . 7392 1
126 . 2 2 6 6 DC H3' H 1 4.82 . . . . . . . 18 C H3' . 7392 1
127 . 2 2 6 6 DC H4' H 1 3.99 . . . . . . . 18 C H4' . 7392 1
128 . 2 2 6 6 DC H5' H 1 7.20 . . . . . . . 18 C H5' . 7392 1
129 . 2 2 6 6 DC H5'' H 1 5.08 . . 2 . . . . 18 C H5'' . 7392 1
130 . 2 2 7 7 DG H1' H 1 5.73 . . . . . . . 19 G H1' . 7392 1
131 . 2 2 7 7 DG H2' H 1 2.46 . . . . . . . 19 G H2' . 7392 1
132 . 2 2 7 7 DG H2'' H 1 2.57 . . 2 . . . . 19 G H2'' . 7392 1
133 . 2 2 7 7 DG H3' H 1 5.06 . . . . . . . 19 G H3' . 7392 1
134 . 2 2 7 7 DG H4' H 1 4.26 . . . . . . . 19 G H4' . 7392 1
135 . 2 2 7 7 DG H5' H 1 3.99 . . . . . . . 19 G H5' . 7392 1
136 . 2 2 7 7 DG H5'' H 1 3.98 . . 2 . . . . 19 G H5'' . 7392 1
137 . 2 2 8 8 DC H1' H 1 5.82 . . . . . . . 20 C H1' . 7392 1
138 . 2 2 8 8 DC H2' H 1 1.82 . . . . . . . 20 C H2' . 7392 1
139 . 2 2 8 8 DC H2'' H 1 2.20 . . 2 . . . . 20 C H2'' . 7392 1
140 . 2 2 8 8 DC H3' H 1 4.87 . . . . . . . 20 C H3' . 7392 1
141 . 2 2 8 8 DC H4' H 1 4.14 . . . . . . . 20 C H4' . 7392 1
142 . 2 2 8 8 DC H5' H 1 4.08 . . . . . . . 20 C H5' . 7392 1
143 . 2 2 8 8 DC H5'' H 1 6.85 . . 2 . . . . 20 C H5'' . 7392 1
144 . 2 2 8 8 DC H6 H 1 4.97 . . 1 . . . . 20 C H6 . 7392 1
145 . 2 2 9 9 DC H1' H 1 6.42 . . . . . . . 21 C H1' . 7392 1
146 . 2 2 9 9 DC H2' H 1 2.30 . . . . . . . 21 C H2' . 7392 1
147 . 2 2 9 9 DC H2'' H 1 2.60 . . 2 . . . . 21 C H2'' . 7392 1
148 . 2 2 9 9 DC H3' H 1 4.95 . . . . . . . 21 C H3' . 7392 1
149 . 2 2 9 9 DC H4' H 1 4.54 . . . . . . . 21 C H4' . 7392 1
150 . 2 2 9 9 DC H5' H 1 4.05 . . . . . . . 21 C H5' . 7392 1
151 . 2 2 9 9 DC H5'' H 1 4.14 . . 2 . . . . 21 C H5'' . 7392 1
152 . 2 2 9 9 DC H6 H 1 7.99 . . 1 . . . . 21 C H6 . 7392 1
153 . 2 2 10 10 DG H1' H 1 5.06 . . . . . . . 22 G H1' . 7392 1
154 . 2 2 10 10 DG H2' H 1 2.04 . . . . . . . 22 G H2' . 7392 1
155 . 2 2 10 10 DG H2'' H 1 2.34 . . 2 . . . . 22 G H2'' . 7392 1
156 . 2 2 10 10 DG H3' H 1 4.80 . . . . . . . 22 G H3' . 7392 1
157 . 2 2 10 10 DG H4' H 1 4.33 . . . . . . . 22 G H4' . 7392 1
158 . 2 2 10 10 DG H5' H 1 3.94 . . . . . . . 22 G H5' . 7392 1
159 . 2 2 10 10 DG H5'' H 1 4.23 . . 2 . . . . 22 G H5'' . 7392 1
160 . 2 2 11 11 DA H1' H 1 5.89 . . . . . . . 23 A H1' . 7392 1
161 . 2 2 11 11 DA H2' H 1 2.44 . . . . . . . 23 A H2' . 7392 1
162 . 2 2 11 11 DA H2'' H 1 2.71 . . 2 . . . . 23 A H2'' . 7392 1
163 . 2 2 11 11 DA H3' H 1 4.94 . . . . . . . 23 A H3' . 7392 1
164 . 2 2 11 11 DA H4' H 1 4.34 . . . . . . . 23 A H4' . 7392 1
165 . 2 2 11 11 DA H5' H 1 4.23 . . . . . . . 23 A H5' . 7392 1
166 . 2 2 11 11 DA H5'' H 1 7.94 . . 2 . . . . 23 A H5'' . 7392 1
167 . 2 2 12 12 DG H1' H 1 5.85 . . . . . . . 24 G H1' . 7392 1
168 . 2 2 12 12 DG H2' H 1 2.23 . . . . . . . 24 G H2' . 7392 1
169 . 2 2 12 12 DG H2'' H 1 2.11 . . 2 . . . . 24 G H2'' . 7392 1
170 . 2 2 12 12 DG H3' H 1 4.57 . . . . . . . 24 G H3' . 7392 1
171 . 2 2 12 12 DG H4' H 1 4.33 . . . . . . . 24 G H4' . 7392 1
172 . 2 2 12 12 DG H5' H 1 3.87 . . . . . . . 24 G H5' . 7392 1
173 . 2 2 12 12 DG H5'' H 1 4.00 . . 2 . . . . 24 G H5'' . 7392 1
stop_
save_