###################################
# 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 27770
_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' . . . 27770 1
3 '2D 1H-1H TOCSY' . . . 27770 1
4 '2D 1H-13C HSQC' . . . 27770 1
6 '2D 1H-31P COSY' . . . 27770 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.Ambiguity_set_ID
_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 5.89 0.01 . 1 . . . . . 1 G H1' . 27770 1
2 . 1 1 1 1 G H2' H 1 4.82 0.01 . 1 . . . . . 1 G H2' . 27770 1
3 . 1 1 1 1 G H3' H 1 4.56 0.01 . 1 . . . . . 1 G H3' . 27770 1
4 . 1 1 1 1 G H4' H 1 4.44 0.01 . 1 . . . . . 1 G H4' . 27770 1
5 . 1 1 1 1 G H5' H 1 4.12 0.01 . 2 . . . . . 1 G H5' . 27770 1
6 . 1 1 1 1 G H5'' H 1 3.96 0.01 . 2 . . . . . 1 G H5'' . 27770 1
7 . 1 1 1 1 G H8 H 1 8.13 0.01 . 1 . . . . . 1 G H8 . 27770 1
8 . 1 1 1 1 G C8 C 13 138.83 0.2 . 1 . . . . . 1 G C8 . 27770 1
9 . 1 1 2 2 C H1' H 1 5.58 0.01 . 1 . . . . . 2 C H1' . 27770 1
10 . 1 1 2 2 C H2' H 1 4.45 0.01 . 1 . . . . . 2 C H2' . 27770 1
11 . 1 1 2 2 C H3' H 1 4.53 0.01 . 1 . . . . . 2 C H3' . 27770 1
12 . 1 1 2 2 C H4' H 1 4.49 0.01 . 1 . . . . . 2 C H4' . 27770 1
13 . 1 1 2 2 C H5 H 1 5.26 0.01 . 1 . . . . . 2 C H5 . 27770 1
14 . 1 1 2 2 C H5' H 1 4.59 0.01 . 2 . . . . . 2 C H5' . 27770 1
15 . 1 1 2 2 C H5'' H 1 4.17 0.01 . 2 . . . . . 2 C H5'' . 27770 1
16 . 1 1 2 2 C H6 H 1 7.83 0.01 . 1 . . . . . 2 C H6 . 27770 1
17 . 1 1 2 2 C C5 C 13 97.07 0.2 . 1 . . . . . 2 C C5 . 27770 1
18 . 1 1 2 2 C C6 C 13 141.92 0.2 . 1 . . . . . 2 C C6 . 27770 1
19 . 1 1 2 2 C P P 31 -4.22 0.02 . 1 . . . . . 2 C P . 27770 1
20 . 1 1 3 3 U H1' H 1 5.53 0.01 . 1 . . . . . 3 U H1' . 27770 1
21 . 1 1 3 3 U H2' H 1 4.6 0.01 . 1 . . . . . 3 U H2' . 27770 1
22 . 1 1 3 3 U H3' H 1 4.63 0.01 . 1 . . . . . 3 U H3' . 27770 1
23 . 1 1 3 3 U H4' H 1 4.46 0.01 . 1 . . . . . 3 U H4' . 27770 1
24 . 1 1 3 3 U H5 H 1 5.5 0.01 . 1 . . . . . 3 U H5 . 27770 1
25 . 1 1 3 3 U H5'' H 1 4.15 0.01 . 2 . . . . . 3 U H5'' . 27770 1
26 . 1 1 3 3 U H6 H 1 7.89 0.01 . 1 . . . . . 3 U H6 . 27770 1
27 . 1 1 3 3 U C5 C 13 103.8 0.2 . 1 . . . . . 3 U C5 . 27770 1
28 . 1 1 3 3 U C6 C 13 141.97 0.2 . 1 . . . . . 3 U C6 . 27770 1
29 . 1 1 3 3 U P P 31 -3.94 0.02 . 1 . . . . . 3 U P . 27770 1
30 . 1 1 4 4 A H1' H 1 5.97 0.01 . 1 . . . . . 4 A H1' . 27770 1
31 . 1 1 4 4 A H2 H 1 7.05 0.01 . 1 . . . . . 4 A H2 . 27770 1
32 . 1 1 4 4 A H2' H 1 4.56 0.01 . 1 . . . . . 4 A H2' . 27770 1
33 . 1 1 4 4 A H3' H 1 4.65 0.01 . 1 . . . . . 4 A H3' . 27770 1
34 . 1 1 4 4 A H4' H 1 4.52 0.01 . 1 . . . . . 4 A H4' . 27770 1
35 . 1 1 4 4 A H5' H 1 4.57 0.01 . 2 . . . . . 4 A H5' . 27770 1
36 . 1 1 4 4 A H5'' H 1 4.19 0.01 . 2 . . . . . 4 A H5'' . 27770 1
37 . 1 1 4 4 A H8 H 1 8.17 0.01 . 1 . . . . . 4 A H8 . 27770 1
38 . 1 1 4 4 A C2 C 13 153.46 0.2 . 1 . . . . . 4 A C2 . 27770 1
39 . 1 1 4 4 A C8 C 13 139.81 0.2 . 1 . . . . . 4 A C8 . 27770 1
40 . 1 1 4 4 A P P 31 -3.83 0.02 . 1 . . . . . 4 A P . 27770 1
41 . 1 1 5 5 C H1' H 1 5.27 0.01 . 1 . . . . . 5 C H1' . 27770 1
42 . 1 1 5 5 C H2' H 1 4.04 0.01 . 1 . . . . . 5 C H2' . 27770 1
43 . 1 1 5 5 C H3' H 1 4.32 0.01 . 1 . . . . . 5 C H3' . 27770 1
44 . 1 1 5 5 C H4' H 1 4.35 0.01 . 1 . . . . . 5 C H4' . 27770 1
45 . 1 1 5 5 C H5 H 1 5.24 0.01 . 1 . . . . . 5 C H5 . 27770 1
46 . 1 1 5 5 C H5' H 1 4.48 0.01 . 2 . . . . . 5 C H5' . 27770 1
47 . 1 1 5 5 C H5'' H 1 4.03 0.01 . 2 . . . . . 5 C H5'' . 27770 1
48 . 1 1 5 5 C H6 H 1 7.43 0.01 . 1 . . . . . 5 C H6 . 27770 1
49 . 1 1 5 5 C C5 C 13 97.27 0.2 . 1 . . . . . 5 C C5 . 27770 1
50 . 1 1 5 5 C C6 C 13 141.09 0.2 . 1 . . . . . 5 C C6 . 27770 1
51 . 1 1 5 5 C P P 31 -4.06 0.02 . 1 . . . . . 5 C P . 27770 1
52 . 1 1 6 6 U H1' H 1 5.78 0.01 . 1 . . . . . 6 U H1' . 27770 1
53 . 1 1 6 6 U H2' H 1 4.28 0.01 . 1 . . . . . 6 U H2' . 27770 1
54 . 1 1 6 6 U H3' H 1 4.62 0.01 . 1 . . . . . 6 U H3' . 27770 1
55 . 1 1 6 6 U H4' H 1 4.26 0.01 . 1 . . . . . 6 U H4' . 27770 1
56 . 1 1 6 6 U H5 H 1 5.31 0.01 . 1 . . . . . 6 U H5 . 27770 1
57 . 1 1 6 6 U H5' H 1 4.28 0.01 . 2 . . . . . 6 U H5' . 27770 1
58 . 1 1 6 6 U H5'' H 1 4.01 0.01 . 2 . . . . . 6 U H5'' . 27770 1
59 . 1 1 6 6 U H6 H 1 7.65 0.01 . 1 . . . . . 6 U H6 . 27770 1
60 . 1 1 6 6 U C5 C 13 104.7 0.2 . 1 . . . . . 6 U C5 . 27770 1
61 . 1 1 6 6 U C6 C 13 142.76 0.2 . 1 . . . . . 6 U C6 . 27770 1
62 . 1 1 6 6 U P P 31 -4.39 0.02 . 1 . . . . . 6 U P . 27770 1
63 . 1 1 7 7 G H1' H 1 5.89 0.01 . 1 . . . . . 7 G H1' . 27770 1
64 . 1 1 7 7 G H2' H 1 4.75 0.01 . 1 . . . . . 7 G H2' . 27770 1
65 . 1 1 7 7 G H3' H 1 5.03 0.01 . 1 . . . . . 7 G H3' . 27770 1
66 . 1 1 7 7 G H4' H 1 4.51 0.01 . 1 . . . . . 7 G H4' . 27770 1
67 . 1 1 7 7 G H5' H 1 4.33 0.01 . 2 . . . . . 7 G H5' . 27770 1
68 . 1 1 7 7 G H5'' H 1 4.2 0.01 . 2 . . . . . 7 G H5'' . 27770 1
69 . 1 1 7 7 G H8 H 1 7.92 0.01 . 1 . . . . . 7 G H8 . 27770 1
70 . 1 1 7 7 G C8 C 13 140.32 0.2 . 1 . . . . . 7 G C8 . 27770 1
71 . 1 1 7 7 G P P 31 -3.28 0.02 . 1 . . . . . 7 G P . 27770 1
72 . 1 1 8 8 A H1' H 1 6.02 0.01 . 1 . . . . . 8 A H1' . 27770 1
73 . 1 1 8 8 A H2 H 1 7.64 0.01 . 1 . . . . . 8 A H2 . 27770 1
74 . 1 1 8 8 A H2' H 1 4.71 0.01 . 1 . . . . . 8 A H2' . 27770 1
75 . 1 1 8 8 A H3' H 1 4.64 0.01 . 1 . . . . . 8 A H3' . 27770 1
76 . 1 1 8 8 A H4' H 1 4.59 0.01 . 1 . . . . . 8 A H4' . 27770 1
77 . 1 1 8 8 A H5' H 1 4.33 0.01 . 2 . . . . . 8 A H5' . 27770 1
78 . 1 1 8 8 A H5'' H 1 4.42 0.01 . 2 . . . . . 8 A H5'' . 27770 1
79 . 1 1 8 8 A H8 H 1 8.33 0.01 . 1 . . . . . 8 A H8 . 27770 1
80 . 1 1 8 8 A C2 C 13 154.06 0.2 . 1 . . . . . 8 A C2 . 27770 1
81 . 1 1 8 8 A C8 C 13 141.54 0.2 . 1 . . . . . 8 A C8 . 27770 1
82 . 1 1 8 8 A P P 31 -3.5 0.02 . 1 . . . . . 8 A P . 27770 1
83 . 1 1 9 9 C H1' H 1 5.48 0.01 . 1 . . . . . 9 C H1' . 27770 1
84 . 1 1 9 9 C H2' H 1 4.37 0.01 . 1 . . . . . 9 C H2' . 27770 1
85 . 1 1 9 9 C H3' H 1 4.43 0.01 . 1 . . . . . 9 C H3' . 27770 1
86 . 1 1 9 9 C H4' H 1 4.45 0.01 . 1 . . . . . 9 C H4' . 27770 1
87 . 1 1 9 9 C H5 H 1 5.08 0.01 . 1 . . . . . 9 C H5 . 27770 1
88 . 1 1 9 9 C H5'' H 1 4.15 0.01 . 2 . . . . . 9 C H5'' . 27770 1
89 . 1 1 9 9 C H6 H 1 7.47 0.01 . 1 . . . . . 9 C H6 . 27770 1
90 . 1 1 9 9 C C5 C 13 97.57 0.2 . 1 . . . . . 9 C C5 . 27770 1
91 . 1 1 9 9 C C6 C 13 141.2 0.2 . 1 . . . . . 9 C C6 . 27770 1
92 . 1 1 9 9 C P P 31 -3.92 0.02 . 1 . . . . . 9 C P . 27770 1
93 . 1 1 10 10 G H1' H 1 5.7 0.01 . 1 . . . . . 10 G H1' . 27770 1
94 . 1 1 10 10 G H2' H 1 4.49 0.01 . 1 . . . . . 10 G H2' . 27770 1
95 . 1 1 10 10 G H3' H 1 4.55 0.01 . 1 . . . . . 10 G H3' . 27770 1
96 . 1 1 10 10 G H4' H 1 4.41 0.01 . 1 . . . . . 10 G H4' . 27770 1
97 . 1 1 10 10 G H5'' H 1 4.1 0.01 . 2 . . . . . 10 G H5'' . 27770 1
98 . 1 1 10 10 G H8 H 1 7.49 0.01 . 1 . . . . . 10 G H8 . 27770 1
99 . 1 1 10 10 G C8 C 13 136.66 0.2 . 1 . . . . . 10 G C8 . 27770 1
100 . 1 1 10 10 G P P 31 -3.79 0.02 . 1 . . . . . 10 G P . 27770 1
101 . 1 1 11 11 A H1' H 1 5.96 0.01 . 1 . . . . . 11 A H1' . 27770 1
102 . 1 1 11 11 A H2 H 1 7.86 0.01 . 1 . . . . . 11 A H2 . 27770 1
103 . 1 1 11 11 A H2' H 1 4.12 0.01 . 1 . . . . . 11 A H2' . 27770 1
104 . 1 1 11 11 A H3' H 1 4.28 0.01 . 1 . . . . . 11 A H3' . 27770 1
105 . 1 1 11 11 A H4' H 1 4.26 0.01 . 1 . . . . . 11 A H4' . 27770 1
106 . 1 1 11 11 A H5' H 1 4.42 0.01 . 2 . . . . . 11 A H5' . 27770 1
107 . 1 1 11 11 A H5'' H 1 4.06 0.01 . 2 . . . . . 11 A H5'' . 27770 1
108 . 1 1 11 11 A H8 H 1 7.87 0.01 . 1 . . . . . 11 A H8 . 27770 1
109 . 1 1 11 11 A C2 C 13 155.26 0.2 . 1 . . . . . 11 A C2 . 27770 1
110 . 1 1 11 11 A C8 C 13 140.54 0.2 . 1 . . . . . 11 A C8 . 27770 1
111 . 1 1 11 11 A P P 31 -3.85 0.02 . 1 . . . . . 11 A P . 27770 1
112 . 2 2 1 1 C H1' H 1 5.63 0.01 . 1 . . . . . 33 C H1' . 27770 1
113 . 2 2 1 1 C H2' H 1 4.68 0.01 . 1 . . . . . 33 C H2' . 27770 1
114 . 2 2 1 1 C H3' H 1 4.52 0.01 . 1 . . . . . 33 C H3' . 27770 1
115 . 2 2 1 1 C H4' H 1 4.39 0.01 . 1 . . . . . 33 C H4' . 27770 1
116 . 2 2 1 1 C H5 H 1 5.98 0.01 . 1 . . . . . 33 C H5 . 27770 1
117 . 2 2 1 1 C H5' H 1 4.09 0.01 . 2 . . . . . 33 C H5' . 27770 1
118 . 2 2 1 1 C H5'' H 1 3.96 0.01 . 2 . . . . . 33 C H5'' . 27770 1
119 . 2 2 1 1 C H6 H 1 8.09 0.01 . 1 . . . . . 33 C H6 . 27770 1
120 . 2 2 1 1 C C5 C 13 98.99 0.2 . 1 . . . . . 33 C C5 . 27770 1
121 . 2 2 1 1 C C6 C 13 142.71 0.2 . 1 . . . . . 33 C C6 . 27770 1
122 . 2 2 2 2 G H1' H 1 5.78 0.01 . 1 . . . . . 34 G H1' . 27770 1
123 . 2 2 2 2 G H2' H 1 4.75 0.01 . 1 . . . . . 34 G H2' . 27770 1
124 . 2 2 2 2 G H3' H 1 4.63 0.01 . 1 . . . . . 34 G H3' . 27770 1
125 . 2 2 2 2 G H4' H 1 4.49 0.01 . 1 . . . . . 34 G H4' . 27770 1
126 . 2 2 2 2 G H5'' H 1 4.17 0.01 . 2 . . . . . 34 G H5'' . 27770 1
127 . 2 2 2 2 G H8 H 1 7.72 0.01 . 1 . . . . . 34 G H8 . 27770 1
128 . 2 2 2 2 G C8 C 13 136.81 0.2 . 1 . . . . . 34 G C8 . 27770 1
129 . 2 2 2 2 G P P 31 -3.65 0.02 . 1 . . . . . 34 G P . 27770 1
130 . 2 2 3 3 PSU H1' H 1 4.64 0.01 . 1 . . . . . 35 PSU H1' . 27770 1
131 . 2 2 3 3 PSU H2' H 1 4.4 0.01 . 1 . . . . . 35 PSU H2' . 27770 1
132 . 2 2 3 3 PSU H3' H 1 4.48 0.01 . 1 . . . . . 35 PSU H3' . 27770 1
133 . 2 2 3 3 PSU H4' H 1 4.23 0.01 . 1 . . . . . 35 PSU H4' . 27770 1
134 . 2 2 3 3 PSU H5' H 1 4.41 0.01 . 2 . . . . . 35 PSU H5' . 27770 1
135 . 2 2 3 3 PSU H5'' H 1 4.04 0.01 . 2 . . . . . 35 PSU H5'' . 27770 1
136 . 2 2 3 3 PSU H6 H 1 7.02 0.01 . 1 . . . . . 35 PSU H6 . 27770 1
137 . 2 2 3 3 PSU C6 C 13 140.22 0.2 . 1 . . . . . 35 PSU C6 . 27770 1
138 . 2 2 3 3 PSU P P 31 -3.36 0.02 . 1 . . . . . 35 PSU P . 27770 1
139 . 2 2 4 4 A H1' H 1 5.86 0.01 . 1 . . . . . 36 A H1' . 27770 1
140 . 2 2 4 4 A H2 H 1 6.97 0.01 . 1 . . . . . 36 A H2 . 27770 1
141 . 2 2 4 4 A H2' H 1 4.71 0.01 . 1 . . . . . 36 A H2' . 27770 1
142 . 2 2 4 4 A H3' H 1 4.7 0.01 . 1 . . . . . 36 A H3' . 27770 1
143 . 2 2 4 4 A H4' H 1 4.48 0.01 . 1 . . . . . 36 A H4' . 27770 1
144 . 2 2 4 4 A H5'' H 1 4.16 0.01 . 2 . . . . . 36 A H5'' . 27770 1
145 . 2 2 4 4 A H8 H 1 8.14 0.01 . 1 . . . . . 36 A H8 . 27770 1
146 . 2 2 4 4 A C2 C 13 153.06 0.2 . 1 . . . . . 36 A C2 . 27770 1
147 . 2 2 4 4 A C8 C 13 140.16 0.2 . 1 . . . . . 36 A C8 . 27770 1
148 . 2 2 4 4 A P P 31 -3.63 0.02 . 1 . . . . . 36 A P . 27770 1
149 . 2 2 5 5 G H1' H 1 5.37 0.01 . 1 . . . . . 37 G H1' . 27770 1
150 . 2 2 5 5 G H2' H 1 4.3 0.01 . 1 . . . . . 37 G H2' . 27770 1
151 . 2 2 5 5 G H3' H 1 4.32 0.01 . 1 . . . . . 37 G H3' . 27770 1
152 . 2 2 5 5 G H4' H 1 4.42 0.01 . 1 . . . . . 37 G H4' . 27770 1
153 . 2 2 5 5 G H5' H 1 4.39 0.01 . 2 . . . . . 37 G H5' . 27770 1
154 . 2 2 5 5 G H5'' H 1 4.05 0.01 . 2 . . . . . 37 G H5'' . 27770 1
155 . 2 2 5 5 G H8 H 1 7.14 0.01 . 1 . . . . . 37 G H8 . 27770 1
156 . 2 2 5 5 G C8 C 13 136.01 0.2 . 1 . . . . . 37 G C8 . 27770 1
157 . 2 2 5 5 G P P 31 -3.71 0.02 . 1 . . . . . 37 G P . 27770 1
158 . 2 2 6 6 U H1' H 1 5.48 0.01 . 1 . . . . . 38 U H1' . 27770 1
159 . 2 2 6 6 U H2' H 1 4.46 0.01 . 1 . . . . . 38 U H2' . 27770 1
160 . 2 2 6 6 U H3' H 1 4.56 0.01 . 1 . . . . . 38 U H3' . 27770 1
161 . 2 2 6 6 U H4' H 1 4.39 0.01 . 1 . . . . . 38 U H4' . 27770 1
162 . 2 2 6 6 U H5 H 1 5.06 0.01 . 1 . . . . . 38 U H5 . 27770 1
163 . 2 2 6 6 U H5' H 1 4.52 0.01 . 2 . . . . . 38 U H5' . 27770 1
164 . 2 2 6 6 U H5'' H 1 4.06 0.01 . 2 . . . . . 38 U H5'' . 27770 1
165 . 2 2 6 6 U H6 H 1 7.66 0.01 . 1 . . . . . 38 U H6 . 27770 1
166 . 2 2 6 6 U C5 C 13 103.1 0.2 . 1 . . . . . 38 U C5 . 27770 1
167 . 2 2 6 6 U C6 C 13 141.39 0.2 . 1 . . . . . 38 U C6 . 27770 1
168 . 2 2 6 6 U P P 31 -4.43 0.02 . 1 . . . . . 38 U P . 27770 1
169 . 2 2 7 7 A H1' H 1 5.98 0.01 . 1 . . . . . 39 A H1' . 27770 1
170 . 2 2 7 7 A H2 H 1 6.79 0.01 . 1 . . . . . 39 A H2 . 27770 1
171 . 2 2 7 7 A H2' H 1 4.62 0.01 . 1 . . . . . 39 A H2' . 27770 1
172 . 2 2 7 7 A H3' H 1 4.72 0.01 . 1 . . . . . 39 A H3' . 27770 1
173 . 2 2 7 7 A H4' H 1 4.51 0.01 . 1 . . . . . 39 A H4' . 27770 1
174 . 2 2 7 7 A H5'' H 1 4.16 0.01 . 2 . . . . . 39 A H5'' . 27770 1
175 . 2 2 7 7 A H8 H 1 8.07 0.01 . 1 . . . . . 39 A H8 . 27770 1
176 . 2 2 7 7 A C2 C 13 152.86 0.2 . 1 . . . . . 39 A C2 . 27770 1
177 . 2 2 7 7 A C8 C 13 139.79 0.2 . 1 . . . . . 39 A C8 . 27770 1
178 . 2 2 7 7 A P P 31 -3.7 0.02 . 1 . . . . . 39 A P . 27770 1
179 . 2 2 8 8 G H1' H 1 5.58 0.01 . 1 . . . . . 40 G H1' . 27770 1
180 . 2 2 8 8 G H2' H 1 4.38 0.01 . 1 . . . . . 40 G H2' . 27770 1
181 . 2 2 8 8 G H3' H 1 4.38 0.01 . 1 . . . . . 40 G H3' . 27770 1
182 . 2 2 8 8 G H4' H 1 4.43 0.01 . 1 . . . . . 40 G H4' . 27770 1
183 . 2 2 8 8 G H5'' H 1 4.08 0.01 . 2 . . . . . 40 G H5'' . 27770 1
184 . 2 2 8 8 G H8 H 1 7.29 0.01 . 1 . . . . . 40 G H8 . 27770 1
185 . 2 2 8 8 G C8 C 13 135.87 0.2 . 1 . . . . . 40 G C8 . 27770 1
186 . 2 2 8 8 G P P 31 -3.86 0.02 . 1 . . . . . 40 G P . 27770 1
187 . 2 2 9 9 C H1' H 1 5.43 0.01 . 1 . . . . . 41 C H1' . 27770 1
188 . 2 2 9 9 C H2' H 1 4.35 0.01 . 1 . . . . . 41 C H2' . 27770 1
189 . 2 2 9 9 C H3' H 1 4.35 0.01 . 1 . . . . . 41 C H3' . 27770 1
190 . 2 2 9 9 C H5 H 1 5.09 0.01 . 1 . . . . . 41 C H5 . 27770 1
191 . 2 2 9 9 C H5' H 1 4.48 0.01 . 2 . . . . . 41 C H5' . 27770 1
192 . 2 2 9 9 C H5'' H 1 4.03 0.01 . 2 . . . . . 41 C H5'' . 27770 1
193 . 2 2 9 9 C H6 H 1 7.37 0.01 . 1 . . . . . 41 C H6 . 27770 1
194 . 2 2 9 9 C C5 C 13 97.61 0.2 . 1 . . . . . 41 C C5 . 27770 1
195 . 2 2 9 9 C C6 C 13 140.15 0.2 . 1 . . . . . 41 C C6 . 27770 1
196 . 2 2 9 9 C P P 31 -4.14 0.02 . 1 . . . . . 41 C P . 27770 1
197 . 2 2 10 10 A H1' H 1 6 0.01 . 1 . . . . . 42 A H1' . 27770 1
198 . 2 2 10 10 A H2 H 1 7.46 0.01 . 1 . . . . . 42 A H2 . 27770 1
199 . 2 2 10 10 A H2' H 1 4.05 0.01 . 1 . . . . . 42 A H2' . 27770 1
200 . 2 2 10 10 A H3' H 1 4.29 0.01 . 1 . . . . . 42 A H3' . 27770 1
201 . 2 2 10 10 A H4' H 1 4.23 0.01 . 1 . . . . . 42 A H4' . 27770 1
202 . 2 2 10 10 A H5' H 1 4.41 0.01 . 2 . . . . . 42 A H5' . 27770 1
203 . 2 2 10 10 A H5'' H 1 4.04 0.01 . 2 . . . . . 42 A H5'' . 27770 1
204 . 2 2 10 10 A H8 H 1 8.03 0.01 . 1 . . . . . 42 A H8 . 27770 1
205 . 2 2 10 10 A C2 C 13 154.66 0.2 . 1 . . . . . 42 A C2 . 27770 1
206 . 2 2 10 10 A C8 C 13 140.35 0.2 . 1 . . . . . 42 A C8 . 27770 1
207 . 2 2 10 10 A P P 31 -3.74 0.02 . 1 . . . . . 42 A P . 27770 1
stop_
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###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27770
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
2 '2D 1H-1H NOESY' . . . 27770 2
5 '2D 1H-13C HSQC' . . . 27770 2
7 '2D 1H-1H TOCSY' . . . 27770 2
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.Ambiguity_set_ID
_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 12.71 0.02 . 1 . . . . . 1 G H1 . 27770 2
2 . 1 1 1 1 G H21 H 1 6.35 0.05 . 2 . . . . . 1 G H21 . 27770 2
3 . 1 1 1 1 G H22 H 1 8.41 0.05 . 2 . . . . . 1 G H22 . 27770 2
4 . 1 1 2 2 C H41 H 1 8.62 0.05 . 2 . . . . . 2 C H41 . 27770 2
5 . 1 1 2 2 C H42 H 1 6.87 0.05 . 2 . . . . . 2 C H42 . 27770 2
6 . 1 1 3 3 U H3 H 1 13.30 0.02 . 1 . . . . . 3 U H3 . 27770 2
7 . 1 1 4 4 A H61 H 1 7.90 0.05 . 2 . . . . . 4 A H61 . 27770 2
8 . 1 1 4 4 A H62 H 1 6.50 0.05 . 2 . . . . . 4 A H62 . 27770 2
9 . 1 1 5 5 C H41 H 1 8.10 0.05 . 2 . . . . . 5 C H41 . 27770 2
10 . 1 1 5 5 C H42 H 1 7.15 0.05 . 2 . . . . . 5 C H42 . 27770 2
11 . 1 1 6 6 U H3 H 1 13.57 0.1 . 1 . . . . . 6 U H3 . 27770 2
12 . 1 1 7 7 G H1 H 1 10.67 0.1 . 1 . . . . . 7 G H1 . 27770 2
13 . 1 1 9 9 C H41 H 1 8.00 0.05 . 2 . . . . . 9 C H41 . 27770 2
14 . 1 1 9 9 C H42 H 1 6.65 0.05 . 2 . . . . . 9 C H42 . 27770 2
15 . 1 1 10 10 G H1 H 1 12.33 0.02 . 1 . . . . . 10 G H1 . 27770 2
16 . 2 2 1 1 C H41 H 1 8.42 0.05 . 2 . . . . . 33 C H41 . 27770 2
17 . 2 2 1 1 C H42 H 1 6.90 0.05 . 2 . . . . . 33 C H42 . 27770 2
18 . 2 2 2 2 G H1 H 1 12.90 0.02 . 1 . . . . . 34 G H1 . 27770 2
19 . 2 2 2 2 G H21 H 1 5.88 0.05 . 2 . . . . . 34 G H21 . 27770 2
20 . 2 2 2 2 G H22 H 1 8.13 0.05 . 2 . . . . . 34 G H22 . 27770 2
21 . 2 2 3 3 PSU H1 H 1 10.33 0.05 . 1 . . . . . 35 PSU H1 . 27770 2
22 . 2 2 3 3 PSU H3 H 1 12.82 0.1 . 1 . . . . . 35 PSU H3 . 27770 2
23 . 2 2 5 5 G H1 H 1 13.40 0.02 . 1 . . . . . 37 G H1 . 27770 2
24 . 2 2 5 5 G H21 H 1 6.18 0.05 . 2 . . . . . 37 G H21 . 27770 2
25 . 2 2 5 5 G H22 H 1 8.42 0.05 . 2 . . . . . 37 G H22 . 27770 2
26 . 2 2 6 6 U H3 H 1 13.52 0.02 . 1 . . . . . 38 U H3 . 27770 2
27 . 2 2 7 7 A H61 H 1 7.83 0.05 . 2 . . . . . 39 A H61 . 27770 2
28 . 2 2 7 7 A H62 H 1 6.37 0.05 . 2 . . . . . 39 A H62 . 27770 2
29 . 2 2 8 8 G H1 H 1 13.44 0.02 . 1 . . . . . 40 G H1 . 27770 2
30 . 2 2 8 8 G H21 H 1 6.13 0.05 . 2 . . . . . 40 G H21 . 27770 2
31 . 2 2 8 8 G H22 H 1 8.58 0.05 . 2 . . . . . 40 G H22 . 27770 2
32 . 2 2 9 9 C H41 H 1 8.13 0.05 . 2 . . . . . 41 C H41 . 27770 2
33 . 2 2 9 9 C H42 H 1 6.95 0.05 . 2 . . . . . 41 C H42 . 27770 2
stop_
save_