###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34581
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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' . . . 34581 1
2 '2D 1H-1H NOESY' . . . 34581 1
3 '2D 1H-1H TOCSY' . . . 34581 1
4 '2D 31P-1H HETCOR' . . . 34581 1
5 '2D 1H-13C HMBC' . . . 34581 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 DC H1' H 1 5.665 0.000 . 1 . . . . A 1 DC H1' . 34581 1
2 . 1 . 1 1 1 DC H2' H 1 1.903 0.001 . 1 . . . . A 1 DC H2' . 34581 1
3 . 1 . 1 1 1 DC H2'' H 1 2.365 0.001 . 1 . . . . A 1 DC H2'' . 34581 1
4 . 1 . 1 1 1 DC H3' H 1 4.704 0.003 . 1 . . . . A 1 DC H3' . 34581 1
5 . 1 . 1 1 1 DC H4' H 1 4.059 0.000 . 1 . . . . A 1 DC H4' . 34581 1
6 . 1 . 1 1 1 DC H5 H 1 5.961 0.001 . 1 . . . . A 1 DC H5 . 34581 1
7 . 1 . 1 1 1 DC H5' H 1 3.718 0.000 . 1 . . . . A 1 DC H5' . 34581 1
8 . 1 . 1 1 1 DC H5'' H 1 3.718 0.000 . 1 . . . . A 1 DC H5'' . 34581 1
9 . 1 . 1 1 1 DC H6 H 1 7.675 0.001 . 1 . . . . A 1 DC H6 . 34581 1
10 . 1 . 1 2 2 DA H1' H 1 6.202 0.004 . 1 . . . . A 2 DA H1' . 34581 1
11 . 1 . 1 2 2 DA H2 H 1 7.956 0.000 . 1 . . . . A 2 DA H2 . 34581 1
12 . 1 . 1 2 2 DA H2' H 1 2.773 0.002 . 1 . . . . A 2 DA H2' . 34581 1
13 . 1 . 1 2 2 DA H2'' H 1 2.873 0.000 . 1 . . . . A 2 DA H2'' . 34581 1
14 . 1 . 1 2 2 DA H3' H 1 5.022 0.001 . 1 . . . . A 2 DA H3' . 34581 1
15 . 1 . 1 2 2 DA H4' H 1 4.399 0.001 . 1 . . . . A 2 DA H4' . 34581 1
16 . 1 . 1 2 2 DA H5' H 1 3.990 0.000 . 2 . . . . A 2 DA H5' . 34581 1
17 . 1 . 1 2 2 DA H5'' H 1 4.126 0.000 . 2 . . . . A 2 DA H5'' . 34581 1
18 . 1 . 1 2 2 DA H8 H 1 8.354 0.000 . 1 . . . . A 2 DA H8 . 34581 1
19 . 1 . 1 2 2 DA P P 31 -1.038 0.000 . 1 . . . . A 2 DA P . 34581 1
20 . 1 . 1 3 3 DC H1' H 1 5.600 0.001 . 1 . . . . A 3 DC H1' . 34581 1
21 . 1 . 1 3 3 DC H2' H 1 1.999 0.001 . 1 . . . . A 3 DC H2' . 34581 1
22 . 1 . 1 3 3 DC H2'' H 1 2.357 0.002 . 1 . . . . A 3 DC H2'' . 34581 1
23 . 1 . 1 3 3 DC H3' H 1 4.814 0.002 . 1 . . . . A 3 DC H3' . 34581 1
24 . 1 . 1 3 3 DC H4' H 1 4.177 0.002 . 1 . . . . A 3 DC H4' . 34581 1
25 . 1 . 1 3 3 DC H5 H 1 5.362 0.001 . 1 . . . . A 3 DC H5 . 34581 1
26 . 1 . 1 3 3 DC H6 H 1 7.309 0.000 . 1 . . . . A 3 DC H6 . 34581 1
27 . 1 . 1 3 3 DC P P 31 -1.204 0.000 . 1 . . . . A 3 DC P . 34581 1
28 . 1 . 1 4 4 DG H1' H 1 5.898 0.002 . 1 . . . . A 4 DG H1' . 34581 1
29 . 1 . 1 4 4 DG H2' H 1 2.627 0.002 . 1 . . . . A 4 DG H2' . 34581 1
30 . 1 . 1 4 4 DG H2'' H 1 2.719 0.001 . 1 . . . . A 4 DG H2'' . 34581 1
31 . 1 . 1 4 4 DG H3' H 1 4.976 0.001 . 1 . . . . A 4 DG H3' . 34581 1
32 . 1 . 1 4 4 DG H4' H 1 4.376 0.001 . 1 . . . . A 4 DG H4' . 34581 1
33 . 1 . 1 4 4 DG H8 H 1 7.852 0.000 . 1 . . . . A 4 DG H8 . 34581 1
34 . 1 . 1 4 4 DG P P 31 -0.925 0.001 . 1 . . . . A 4 DG P . 34581 1
35 . 1 . 1 5 5 DC H1' H 1 5.936 0.000 . 1 . . . . A 5 DC H1' . 34581 1
36 . 1 . 1 5 5 DC H2' H 1 2.055 0.002 . 1 . . . . A 5 DC H2' . 34581 1
37 . 1 . 1 5 5 DC H2'' H 1 2.443 0.001 . 1 . . . . A 5 DC H2'' . 34581 1
38 . 1 . 1 5 5 DC H3' H 1 4.809 0.000 . 1 . . . . A 5 DC H3' . 34581 1
39 . 1 . 1 5 5 DC H4' H 1 4.207 0.000 . 1 . . . . A 5 DC H4' . 34581 1
40 . 1 . 1 5 5 DC H5 H 1 5.301 0.001 . 1 . . . . A 5 DC H5 . 34581 1
41 . 1 . 1 5 5 DC H6 H 1 7.337 0.000 . 1 . . . . A 5 DC H6 . 34581 1
42 . 1 . 1 5 5 DC P P 31 -1.051 0.000 . 1 . . . . A 5 DC P . 34581 1
43 . 1 . 1 6 6 DC H1' H 1 5.551 0.001 . 1 . . . . A 6 DC H1' . 34581 1
44 . 1 . 1 6 6 DC H2' H 1 2.052 0.000 . 1 . . . . A 6 DC H2' . 34581 1
45 . 1 . 1 6 6 DC H2'' H 1 2.390 0.001 . 1 . . . . A 6 DC H2'' . 34581 1
46 . 1 . 1 6 6 DC H3' H 1 4.828 0.001 . 1 . . . . A 6 DC H3' . 34581 1
47 . 1 . 1 6 6 DC H4' H 1 4.097 0.000 . 1 . . . . A 6 DC H4' . 34581 1
48 . 1 . 1 6 6 DC H5 H 1 5.547 0.001 . 1 . . . . A 6 DC H5 . 34581 1
49 . 1 . 1 6 6 DC H6 H 1 7.412 0.000 . 1 . . . . A 6 DC H6 . 34581 1
50 . 1 . 1 7 7 DG H1' H 1 5.929 0.001 . 1 . . . . A 7 DG H1' . 34581 1
51 . 1 . 1 7 7 DG H2' H 1 2.679 0.000 . 1 . . . . A 7 DG H2' . 34581 1
52 . 1 . 1 7 7 DG H2'' H 1 2.735 0.003 . 1 . . . . A 7 DG H2'' . 34581 1
53 . 1 . 1 7 7 DG H3' H 1 4.987 0.001 . 1 . . . . A 7 DG H3' . 34581 1
54 . 1 . 1 7 7 DG H4' H 1 4.381 0.000 . 1 . . . . A 7 DG H4' . 34581 1
55 . 1 . 1 7 7 DG H8 H 1 7.912 0.000 . 1 . . . . A 7 DG H8 . 34581 1
56 . 1 . 1 7 7 DG P P 31 -0.923 0.000 . 1 . . . . A 7 DG P . 34581 1
57 . 1 . 1 8 8 DC H1' H 1 5.946 0.001 . 1 . . . . A 8 DC H1' . 34581 1
58 . 1 . 1 8 8 DC H2' H 1 2.004 0.001 . 1 . . . . A 8 DC H2' . 34581 1
59 . 1 . 1 8 8 DC H2'' H 1 2.449 0.002 . 1 . . . . A 8 DC H2'' . 34581 1
60 . 1 . 1 8 8 DC H3' H 1 4.765 0.002 . 1 . . . . A 8 DC H3' . 34581 1
61 . 1 . 1 8 8 DC H4' H 1 4.193 0.001 . 1 . . . . A 8 DC H4' . 34581 1
62 . 1 . 1 8 8 DC H5 H 1 5.383 0.001 . 1 . . . . A 8 DC H5 . 34581 1
63 . 1 . 1 8 8 DC H6 H 1 7.402 0.001 . 1 . . . . A 8 DC H6 . 34581 1
64 . 1 . 1 8 8 DC P P 31 -1.145 0.000 . 1 . . . . A 8 DC P . 34581 1
65 . 1 . 1 9 9 DT H1' H 1 5.854 0.001 . 1 . . . . A 9 DT H1' . 34581 1
66 . 1 . 1 9 9 DT H2' H 1 1.979 0.001 . 1 . . . . A 9 DT H2' . 34581 1
67 . 1 . 1 9 9 DT H2'' H 1 2.364 0.001 . 1 . . . . A 9 DT H2'' . 34581 1
68 . 1 . 1 9 9 DT H3' H 1 4.853 0.001 . 1 . . . . A 9 DT H3' . 34581 1
69 . 1 . 1 9 9 DT H4' H 1 4.115 0.001 . 1 . . . . A 9 DT H4' . 34581 1
70 . 1 . 1 9 9 DT H6 H 1 7.338 0.000 . 1 . . . . A 9 DT H6 . 34581 1
71 . 1 . 1 9 9 DT H71 H 1 1.706 0.001 . 1 . . . . A 9 DT H71 . 34581 1
72 . 1 . 1 9 9 DT H72 H 1 1.706 0.001 . 1 . . . . A 9 DT H72 . 34581 1
73 . 1 . 1 9 9 DT H73 H 1 1.706 0.001 . 1 . . . . A 9 DT H73 . 34581 1
74 . 1 . 1 9 9 DT P P 31 -1.272 0.002 . 1 . . . . A 9 DT P . 34581 1
75 . 1 . 1 10 10 DG H1' H 1 6.173 0.001 . 1 . . . . A 10 DG H1' . 34581 1
76 . 1 . 1 10 10 DG H2' H 1 2.633 0.000 . 1 . . . . A 10 DG H2' . 34581 1
77 . 1 . 1 10 10 DG H2'' H 1 2.383 0.000 . 1 . . . . A 10 DG H2'' . 34581 1
78 . 1 . 1 10 10 DG H3' H 1 4.700 0.000 . 1 . . . . A 10 DG H3' . 34581 1
79 . 1 . 1 10 10 DG H4' H 1 4.178 0.001 . 1 . . . . A 10 DG H4' . 34581 1
80 . 1 . 1 10 10 DG H8 H 1 7.939 0.000 . 1 . . . . A 10 DG H8 . 34581 1
81 . 1 . 1 10 10 DG P P 31 -1.009 0.000 . 1 . . . . A 10 DG P . 34581 1
82 . 2 . 2 1 1 DC H1' H 1 5.628 0.001 . 1 . . . . B 11 DC H1' . 34581 1
83 . 2 . 2 1 1 DC H2' H 1 1.848 0.001 . 1 . . . . B 11 DC H2' . 34581 1
84 . 2 . 2 1 1 DC H2'' H 1 2.324 0.001 . 1 . . . . B 11 DC H2'' . 34581 1
85 . 2 . 2 1 1 DC H3' H 1 4.689 0.003 . 1 . . . . B 11 DC H3' . 34581 1
86 . 2 . 2 1 1 DC H4' H 1 4.041 0.000 . 1 . . . . B 11 DC H4' . 34581 1
87 . 2 . 2 1 1 DC H5 H 1 5.950 0.001 . 1 . . . . B 11 DC H5 . 34581 1
88 . 2 . 2 1 1 DC H5' H 1 3.704 0.000 . 1 . . . . B 11 DC H5' . 34581 1
89 . 2 . 2 1 1 DC H5'' H 1 3.704 0.000 . 1 . . . . B 11 DC H5'' . 34581 1
90 . 2 . 2 1 1 DC H6 H 1 7.652 0.001 . 1 . . . . B 11 DC H6 . 34581 1
91 . 2 . 2 2 2 DA H1' H 1 5.965 0.002 . 1 . . . . B 12 DA H1' . 34581 1
92 . 2 . 2 2 2 DA H2 H 1 7.827 0.000 . 1 . . . . B 12 DA H2 . 34581 1
93 . 2 . 2 2 2 DA H2' H 1 2.791 0.003 . 1 . . . . B 12 DA H2' . 34581 1
94 . 2 . 2 2 2 DA H2'' H 1 2.900 0.001 . 1 . . . . B 12 DA H2'' . 34581 1
95 . 2 . 2 2 2 DA H3' H 1 5.030 0.001 . 1 . . . . B 12 DA H3' . 34581 1
96 . 2 . 2 2 2 DA H4' H 1 4.372 0.001 . 1 . . . . B 12 DA H4' . 34581 1
97 . 2 . 2 2 2 DA H5' H 1 3.971 0.000 . 2 . . . . B 12 DA H5' . 34581 1
98 . 2 . 2 2 2 DA H5'' H 1 4.107 0.000 . 2 . . . . B 12 DA H5'' . 34581 1
99 . 2 . 2 2 2 DA H8 H 1 8.273 0.000 . 1 . . . . B 12 DA H8 . 34581 1
100 . 2 . 2 2 2 DA P P 31 -1.001 0.001 . 1 . . . . B 12 DA P . 34581 1
101 . 2 . 2 3 3 DG H1' H 1 5.786 0.001 . 1 . . . . B 13 DG H1' . 34581 1
102 . 2 . 2 3 3 DG H2' H 1 2.541 0.000 . 1 . . . . B 13 DG H2' . 34581 1
103 . 2 . 2 3 3 DG H2'' H 1 2.649 0.001 . 1 . . . . B 13 DG H2'' . 34581 1
104 . 2 . 2 3 3 DG H3' H 1 4.976 0.001 . 1 . . . . B 13 DG H3' . 34581 1
105 . 2 . 2 3 3 DG H4' H 1 4.395 0.000 . 1 . . . . B 13 DG H4' . 34581 1
106 . 2 . 2 3 3 DG H8 H 1 7.727 0.001 . 1 . . . . B 13 DG H8 . 34581 1
107 . 2 . 2 3 3 DG P P 31 -1.148 0.001 . 1 . . . . B 13 DG P . 34581 1
108 . 2 . 2 4 4 DC H1' H 1 5.682 0.000 . 1 . . . . B 14 DC H1' . 34581 1
109 . 2 . 2 4 4 DC H2' H 1 1.830 0.001 . 1 . . . . B 14 DC H2' . 34581 1
110 . 2 . 2 4 4 DC H2'' H 1 2.319 0.001 . 1 . . . . B 14 DC H2'' . 34581 1
111 . 2 . 2 4 4 DC H3' H 1 4.807 0.001 . 1 . . . . B 14 DC H3' . 34581 1
112 . 2 . 2 4 4 DC H4' H 1 4.144 0.000 . 1 . . . . B 14 DC H4' . 34581 1
113 . 2 . 2 4 4 DC H5 H 1 5.242 0.001 . 1 . . . . B 14 DC H5 . 34581 1
114 . 2 . 2 4 4 DC H5' H 1 4.135 0.000 . 2 . . . . B 14 DC H5' . 34581 1
115 . 2 . 2 4 4 DC H5'' H 1 4.205 0.000 . 2 . . . . B 14 DC H5'' . 34581 1
116 . 2 . 2 4 4 DC H6 H 1 7.224 0.000 . 1 . . . . B 14 DC H6 . 34581 1
117 . 2 . 2 4 4 DC P P 31 -1.201 0.000 . 1 . . . . B 14 DC P . 34581 1
118 . 2 . 2 5 5 DG H1' H 1 5.612 0.000 . 1 . . . . B 15 DG H1' . 34581 1
119 . 2 . 2 5 5 DG H2' H 1 2.656 0.001 . 1 . . . . B 15 DG H2' . 34581 1
120 . 2 . 2 5 5 DG H2'' H 1 2.746 0.001 . 1 . . . . B 15 DG H2'' . 34581 1
121 . 2 . 2 5 5 DG H3' H 1 4.974 0.002 . 1 . . . . B 15 DG H3' . 34581 1
122 . 2 . 2 5 5 DG H4' H 1 4.322 0.001 . 1 . . . . B 15 DG H4' . 34581 1
123 . 2 . 2 5 5 DG H5' H 1 4.082 0.000 . 2 . . . . B 15 DG H5' . 34581 1
124 . 2 . 2 5 5 DG H5'' H 1 3.985 0.000 . 2 . . . . B 15 DG H5'' . 34581 1
125 . 2 . 2 5 5 DG H8 H 1 7.817 0.000 . 1 . . . . B 15 DG H8 . 34581 1
126 . 2 . 2 5 5 DG P P 31 -1.117 0.000 . 1 . . . . B 15 DG P . 34581 1
127 . 2 . 2 6 6 DG H1' H 1 5.866 0.001 . 1 . . . . B 16 DG H1' . 34581 1
128 . 2 . 2 6 6 DG H2' H 1 2.552 0.001 . 1 . . . . B 16 DG H2' . 34581 1
129 . 2 . 2 6 6 DG H2'' H 1 2.709 0.000 . 1 . . . . B 16 DG H2'' . 34581 1
130 . 2 . 2 6 6 DG H3' H 1 4.972 0.001 . 1 . . . . B 16 DG H3' . 34581 1
131 . 2 . 2 6 6 DG H4' H 1 4.392 0.000 . 1 . . . . B 16 DG H4' . 34581 1
132 . 2 . 2 6 6 DG H8 H 1 7.727 0.000 . 1 . . . . B 16 DG H8 . 34581 1
133 . 2 . 2 6 6 DG P P 31 -1.057 0.000 . 1 . . . . B 16 DG P . 34581 1
134 . 2 . 2 7 7 DC H1' H 1 5.708 0.000 . 1 . . . . B 17 DC H1' . 34581 1
135 . 2 . 2 7 7 DC H2' H 1 1.996 0.002 . 1 . . . . B 17 DC H2' . 34581 1
136 . 2 . 2 7 7 DC H2'' H 1 2.362 0.002 . 1 . . . . B 17 DC H2'' . 34581 1
137 . 2 . 2 7 7 DC H3' H 1 4.813 0.001 . 1 . . . . B 17 DC H3' . 34581 1
138 . 2 . 2 7 7 DC H4' H 1 4.151 0.001 . 1 . . . . B 17 DC H4' . 34581 1
139 . 2 . 2 7 7 DC H5 H 1 5.276 0.001 . 1 . . . . B 17 DC H5 . 34581 1
140 . 2 . 2 7 7 DC H6 H 1 7.255 0.000 . 1 . . . . B 17 DC H6 . 34581 1
141 . 2 . 2 7 7 DC P P 31 -1.126 0.000 . 1 . . . . B 17 DC P . 34581 1
142 . 2 . 2 8 8 DG H1' H 1 5.916 0.001 . 1 . . . . B 18 DG H1' . 34581 1
143 . 2 . 2 8 8 DG H2' H 1 2.665 0.001 . 1 . . . . B 18 DG H2' . 34581 1
144 . 2 . 2 8 8 DG H2'' H 1 2.665 0.001 . 1 . . . . B 18 DG H2'' . 34581 1
145 . 2 . 2 8 8 DG H3' H 1 5.154 0.002 . 1 . . . . B 18 DG H3' . 34581 1
146 . 2 . 2 8 8 DG H4' H 1 4.387 0.001 . 1 . . . . B 18 DG H4' . 34581 1
147 . 2 . 2 8 8 DG H8 H 1 7.887 0.000 . 1 . . . . B 18 DG H8 . 34581 1
148 . 2 . 2 8 8 DG P P 31 -1.282 0.001 . 1 . . . . B 18 DG P . 34581 1
149 . 2 . 2 9 9 T0N H1' H 1 5.930 0.001 . 1 . . . . B 19 T0N H1' . 34581 1
150 . 2 . 2 9 9 T0N H2' H 1 1.775 0.001 . 1 . . . . B 19 T0N H2' . 34581 1
151 . 2 . 2 9 9 T0N H2'' H 1 2.352 0.000 . 1 . . . . B 19 T0N H2'' . 34581 1
152 . 2 . 2 9 9 T0N H3' H 1 4.809 0.001 . 1 . . . . B 19 T0N H3' . 34581 1
153 . 2 . 2 9 9 T0N H4' H 1 4.196 0.001 . 1 . . . . B 19 T0N H4' . 34581 1
154 . 2 . 2 9 9 T0N H5' H 1 4.240 0.000 . 2 . . . . B 19 T0N H5' . 34581 1
155 . 2 . 2 9 9 T0N H5'' H 1 4.375 0.000 . 2 . . . . B 19 T0N H5'' . 34581 1
156 . 2 . 2 9 9 T0N H6 H 1 7.088 0.000 . 1 . . . . B 19 T0N H6 . 34581 1
157 . 2 . 2 9 9 T0N H21 H 1 2.982 0.000 . 1 . . . . B 19 T0N H21 . 34581 1
158 . 2 . 2 9 9 T0N H22 H 1 2.982 0.000 . 1 . . . . B 19 T0N H22 . 34581 1
159 . 2 . 2 9 9 T0N H23 H 1 2.982 0.000 . 1 . . . . B 19 T0N H23 . 34581 1
160 . 2 . 2 9 9 T0N H31 H 1 2.982 0.000 . 1 . . . . B 19 T0N H31 . 34581 1
161 . 2 . 2 9 9 T0N H32 H 1 2.982 0.000 . 1 . . . . B 19 T0N H32 . 34581 1
162 . 2 . 2 9 9 T0N H33 H 1 2.982 0.000 . 1 . . . . B 19 T0N H33 . 34581 1
163 . 2 . 2 9 9 T0N H71 H 1 1.544 0.001 . 1 . . . . B 19 T0N H71 . 34581 1
164 . 2 . 2 9 9 T0N H72 H 1 1.544 0.001 . 1 . . . . B 19 T0N H72 . 34581 1
165 . 2 . 2 9 9 T0N H73 H 1 1.544 0.001 . 1 . . . . B 19 T0N H73 . 34581 1
166 . 2 . 2 9 9 T0N C4 C 13 168.759 0.000 . 1 . . . . B 19 T0N C4 . 34581 1
167 . 2 . 2 9 9 T0N C5 C 13 113.413 0.000 . 1 . . . . B 19 T0N C5 . 34581 1
168 . 2 . 2 9 9 T0N C6 C 13 138.374 0.000 . 1 . . . . B 19 T0N C6 . 34581 1
169 . 2 . 2 9 9 T0N C31 C 13 49.566 0.000 . 1 . . . . B 19 T0N C31 . 34581 1
170 . 2 . 2 9 9 T0N C34 C 13 49.566 0.000 . 1 . . . . B 19 T0N C34 . 34581 1
171 . 2 . 2 9 9 T0N P P 31 -1.806 0.000 . 1 . . . . B 19 T0N P . 34581 1
172 . 2 . 2 9 9 T0N CN C 13 162.296 0.000 . 1 . . . . B 19 T0N CN . 34581 1
173 . 2 . 2 10 10 DG H1' H 1 6.174 0.001 . 1 . . . . B 20 DG H1' . 34581 1
174 . 2 . 2 10 10 DG H2' H 1 2.621 0.000 . 1 . . . . B 20 DG H2' . 34581 1
175 . 2 . 2 10 10 DG H2'' H 1 2.386 0.001 . 1 . . . . B 20 DG H2'' . 34581 1
176 . 2 . 2 10 10 DG H3' H 1 4.699 0.003 . 1 . . . . B 20 DG H3' . 34581 1
177 . 2 . 2 10 10 DG H4' H 1 4.182 0.002 . 1 . . . . B 20 DG H4' . 34581 1
178 . 2 . 2 10 10 DG H8 H 1 7.922 0.000 . 1 . . . . B 20 DG H8 . 34581 1
179 . 2 . 2 10 10 DG P P 31 -1.207 0.000 . 1 . . . . B 20 DG P . 34581 1
stop_
save_
###################################
# 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_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34581
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_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 $chem_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' . . . 34581 2
2 '2D 1H-1H NOESY' . . . 34581 2
3 '2D 1H-1H TOCSY' . . . 34581 2
4 '2D 31P-1H HETCOR' . . . 34581 2
5 '2D 1H-13C HMBC' . . . 34581 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 DC H1' H 1 5.607 0.000 . 1 . . . . A 1 DC H1' . 34581 2
2 . 1 . 1 1 1 DC H2' H 1 1.956 0.000 . 1 . . . . A 1 DC H2' . 34581 2
3 . 1 . 1 1 1 DC H2'' H 1 2.385 0.000 . 1 . . . . A 1 DC H2'' . 34581 2
4 . 1 . 1 1 1 DC H3' H 1 4.715 0.000 . 1 . . . . A 1 DC H3' . 34581 2
5 . 1 . 1 1 1 DC H6 H 1 7.693 0.000 . 1 . . . . A 1 DC H6 . 34581 2
6 . 1 . 1 1 1 DC H41 H 1 8.167 0.000 . 1 . . . . A 1 DC H41 . 34581 2
7 . 1 . 1 1 1 DC H42 H 1 7.067 0.000 . 1 . . . . A 1 DC H42 . 34581 2
8 . 1 . 1 2 2 DA H1' H 1 6.198 0.000 . 1 . . . . A 2 DA H1' . 34581 2
9 . 1 . 1 2 2 DA H2 H 1 7.943 0.000 . 1 . . . . A 2 DA H2 . 34581 2
10 . 1 . 1 2 2 DA H2' H 1 2.775 0.000 . 1 . . . . A 2 DA H2' . 34581 2
11 . 1 . 1 2 2 DA H2'' H 1 2.870 0.000 . 1 . . . . A 2 DA H2'' . 34581 2
12 . 1 . 1 2 2 DA H3' H 1 5.016 0.000 . 1 . . . . A 2 DA H3' . 34581 2
13 . 1 . 1 2 2 DA H4' H 1 4.412 0.000 . 1 . . . . A 2 DA H4' . 34581 2
14 . 1 . 1 2 2 DA H5' H 1 3.988 0.000 . 2 . . . . A 2 DA H5' . 34581 2
15 . 1 . 1 2 2 DA H5'' H 1 4.131 0.000 . 2 . . . . A 2 DA H5'' . 34581 2
16 . 1 . 1 2 2 DA H8 H 1 8.377 0.000 . 1 . . . . A 2 DA H8 . 34581 2
17 . 1 . 1 3 3 DC H5 H 1 5.357 0.004 . 1 . . . . A 3 DC H5 . 34581 2
18 . 1 . 1 3 3 DC H6 H 1 7.325 0.000 . 1 . . . . A 3 DC H6 . 34581 2
19 . 1 . 1 3 3 DC H41 H 1 8.223 0.002 . 1 . . . . A 3 DC H41 . 34581 2
20 . 1 . 1 3 3 DC H42 H 1 6.669 0.002 . 1 . . . . A 3 DC H42 . 34581 2
21 . 1 . 1 4 4 DG H1 H 1 12.960 0.001 . 1 . . . . A 4 DG H1 . 34581 2
22 . 1 . 1 5 5 DC H41 H 1 8.195 0.002 . 1 . . . . A 5 DC H41 . 34581 2
23 . 1 . 1 5 5 DC H42 H 1 6.414 0.002 . 1 . . . . A 5 DC H42 . 34581 2
24 . 1 . 1 6 6 DC H41 H 1 8.558 0.000 . 1 . . . . A 6 DC H41 . 34581 2
25 . 1 . 1 6 6 DC H42 H 1 6.848 0.000 . 1 . . . . A 6 DC H42 . 34581 2
26 . 1 . 1 7 7 DG H1 H 1 12.996 0.001 . 1 . . . . A 7 DG H1 . 34581 2
27 . 1 . 1 8 8 DC H5 H 1 5.379 0.000 . 1 . . . . A 8 DC H5 . 34581 2
28 . 1 . 1 8 8 DC H41 H 1 8.275 0.000 . 1 . . . . A 8 DC H41 . 34581 2
29 . 1 . 1 8 8 DC H42 H 1 6.682 0.001 . 1 . . . . A 8 DC H42 . 34581 2
30 . 1 . 1 9 9 DT H3 H 1 14.233 0.001 . 1 . . . . A 9 DT H3 . 34581 2
31 . 2 . 2 1 1 DC H1' H 1 5.558 0.000 . 1 . . . . B 11 DC H1' . 34581 2
32 . 2 . 2 1 1 DC H2' H 1 1.904 0.000 . 1 . . . . B 11 DC H2' . 34581 2
33 . 2 . 2 1 1 DC H2'' H 1 2.344 0.000 . 1 . . . . B 11 DC H2'' . 34581 2
34 . 2 . 2 1 1 DC H3' H 1 4.699 0.000 . 1 . . . . B 11 DC H3' . 34581 2
35 . 2 . 2 1 1 DC H6 H 1 7.666 0.000 . 1 . . . . B 11 DC H6 . 34581 2
36 . 2 . 2 1 1 DC H41 H 1 8.238 0.000 . 1 . . . . B 11 DC H41 . 34581 2
37 . 2 . 2 1 1 DC H42 H 1 7.078 0.000 . 1 . . . . B 11 DC H42 . 34581 2
38 . 2 . 2 2 2 DA H1' H 1 5.960 0.000 . 1 . . . . B 12 DA H1' . 34581 2
39 . 2 . 2 2 2 DA H2 H 1 7.820 0.000 . 1 . . . . B 12 DA H2 . 34581 2
40 . 2 . 2 2 2 DA H2' H 1 2.807 0.000 . 1 . . . . B 12 DA H2' . 34581 2
41 . 2 . 2 2 2 DA H2'' H 1 2.900 0.000 . 1 . . . . B 12 DA H2'' . 34581 2
42 . 2 . 2 2 2 DA H3' H 1 5.033 0.000 . 1 . . . . B 12 DA H3' . 34581 2
43 . 2 . 2 2 2 DA H4' H 1 4.390 0.000 . 1 . . . . B 12 DA H4' . 34581 2
44 . 2 . 2 2 2 DA H5' H 1 3.974 0.000 . 2 . . . . B 12 DA H5' . 34581 2
45 . 2 . 2 2 2 DA H5'' H 1 4.110 0.000 . 2 . . . . B 12 DA H5'' . 34581 2
46 . 2 . 2 2 2 DA H8 H 1 8.300 0.000 . 1 . . . . B 12 DA H8 . 34581 2
47 . 2 . 2 3 3 DG H1 H 1 12.841 0.001 . 1 . . . . B 13 DG H1 . 34581 2
48 . 2 . 2 3 3 DG H8 H 1 7.761 0.000 . 1 . . . . B 13 DG H8 . 34581 2
49 . 2 . 2 4 4 DC H41 H 1 8.277 0.002 . 1 . . . . B 14 DC H41 . 34581 2
50 . 2 . 2 4 4 DC H42 H 1 6.406 0.000 . 1 . . . . B 14 DC H42 . 34581 2
51 . 2 . 2 5 5 DG H1 H 1 13.135 0.002 . 1 . . . . B 15 DG H1 . 34581 2
52 . 2 . 2 6 6 DG H1 H 1 12.972 0.000 . 1 . . . . B 16 DG H1 . 34581 2
53 . 2 . 2 7 7 DC H41 H 1 8.292 0.000 . 1 . . . . B 17 DC H41 . 34581 2
54 . 2 . 2 7 7 DC H42 H 1 6.421 0.000 . 1 . . . . B 17 DC H42 . 34581 2
55 . 2 . 2 8 8 DG H1 H 1 12.856 0.001 . 1 . . . . B 18 DG H1 . 34581 2
56 . 2 . 2 9 9 T0N H3 H 1 14.002 0.001 . 1 . . . . B 19 T0N H3 . 34581 2
stop_
save_