###################################
# 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 18699
_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 '1H-1H NOESY' . . . 18699 1
3 '1H-15N HMBC' . . . 18699 1
5 '2D 1H-1H NOESY' . . . 18699 1
6 '2D 1H-1H TOCSY' . . . 18699 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 DG H1 H 1 11.58 . . . . . . A 1 DG H1 . 18699 1
2 . 1 1 1 1 DG H1' H 1 6.032 . . . . . . A 1 DG H1' . 18699 1
3 . 1 1 1 1 DG H2' H 1 2.477 . . . . . . A 1 DG H2' . 18699 1
4 . 1 1 1 1 DG H2'' H 1 2.93 . . . . . . A 1 DG H2'' . 18699 1
5 . 1 1 1 1 DG H3' H 1 4.902 . . . . . . A 1 DG H3' . 18699 1
6 . 1 1 1 1 DG H4' H 1 4.541 . . . . . . A 1 DG H4' . 18699 1
7 . 1 1 1 1 DG H5' H 1 3.985 . . 2 . . . A 1 DG H5' . 18699 1
8 . 1 1 1 1 DG H5'' H 1 4.296 . . 2 . . . A 1 DG H5'' . 18699 1
9 . 1 1 1 1 DG H8 H 1 7.818 . . . . . . A 1 DG H8 . 18699 1
10 . 1 1 2 2 DG H1 H 1 11.39 . . . . . . A 2 DG H1 . 18699 1
11 . 1 1 2 2 DG H1' H 1 6.014 . . . . . . A 2 DG H1' . 18699 1
12 . 1 1 2 2 DG H2' H 1 2.761 . . . . . . A 2 DG H2' . 18699 1
13 . 1 1 2 2 DG H2'' H 1 2.638 . . . . . . A 2 DG H2'' . 18699 1
14 . 1 1 2 2 DG H3' H 1 5.036 . . . . . . A 2 DG H3' . 18699 1
15 . 1 1 2 2 DG H4' H 1 4.542 . . . . . . A 2 DG H4' . 18699 1
16 . 1 1 2 2 DG H8 H 1 7.626 . . . . . . A 2 DG H8 . 18699 1
17 . 1 1 3 3 DG H1 H 1 10.75 . . . . . . A 3 DG H1 . 18699 1
18 . 1 1 3 3 DG H1' H 1 6.372 . . . . . . A 3 DG H1' . 18699 1
19 . 1 1 3 3 DG H2' H 1 2.481 . . . . . . A 3 DG H2' . 18699 1
20 . 1 1 3 3 DG H2'' H 1 2.497 . . . . . . A 3 DG H2'' . 18699 1
21 . 1 1 3 3 DG H3' H 1 5.082 . . . . . . A 3 DG H3' . 18699 1
22 . 1 1 3 3 DG H4' H 1 4.644 . . . . . . A 3 DG H4' . 18699 1
23 . 1 1 3 3 DG H5' H 1 4.247 . . 2 . . . A 3 DG H5' . 18699 1
24 . 1 1 3 3 DG H5'' H 1 4.346 . . 2 . . . A 3 DG H5'' . 18699 1
25 . 1 1 3 3 DG H8 H 1 7.788 . . . . . . A 3 DG H8 . 18699 1
26 . 1 1 4 4 DT H1' H 1 6.53 . . . . . . A 4 DT H1' . 18699 1
27 . 1 1 4 4 DT H2' H 1 2.477 . . . . . . A 4 DT H2' . 18699 1
28 . 1 1 4 4 DT H2'' H 1 2.734 . . . . . . A 4 DT H2'' . 18699 1
29 . 1 1 4 4 DT H3' H 1 5.09 . . . . . . A 4 DT H3' . 18699 1
30 . 1 1 4 4 DT H4' H 1 4.584 . . . . . . A 4 DT H4' . 18699 1
31 . 1 1 4 4 DT H6 H 1 7.84 . . . . . . A 4 DT H6 . 18699 1
32 . 1 1 4 4 DT H71 H 1 1.977 . . . . . . A 4 DT H7 . 18699 1
33 . 1 1 4 4 DT H72 H 1 1.977 . . . . . . A 4 DT H7 . 18699 1
34 . 1 1 4 4 DT H73 H 1 1.977 . . . . . . A 4 DT H7 . 18699 1
35 . 1 1 5 5 DG H1 H 1 11.26 . . . . . . A 5 DG H1 . 18699 1
36 . 1 1 5 5 DG H1' H 1 6.172 . . . . . . A 5 DG H1' . 18699 1
37 . 1 1 5 5 DG H2' H 1 2.756 . . . . . . A 5 DG H2' . 18699 1
38 . 1 1 5 5 DG H2'' H 1 2.142 . . . . . . A 5 DG H2'' . 18699 1
39 . 1 1 5 5 DG H3' H 1 5.151 . . . . . . A 5 DG H3' . 18699 1
40 . 1 1 5 5 DG H4' H 1 4.524 . . . . . . A 5 DG H4' . 18699 1
41 . 1 1 5 5 DG H5' H 1 4.24 . . 2 . . . A 5 DG H5' . 18699 1
42 . 1 1 5 5 DG H5'' H 1 4.331 . . 2 . . . A 5 DG H5'' . 18699 1
43 . 1 1 5 5 DG H8 H 1 7.835 . . . . . . A 5 DG H8 . 18699 1
44 . 1 1 6 6 DG H1 H 1 11.26 . . . . . . A 6 DG H1 . 18699 1
45 . 1 1 6 6 DG H1' H 1 6.053 . . . . . . A 6 DG H1' . 18699 1
46 . 1 1 6 6 DG H2' H 1 2.584 . . . . . . A 6 DG H2' . 18699 1
47 . 1 1 6 6 DG H2'' H 1 2.732 . . . . . . A 6 DG H2'' . 18699 1
48 . 1 1 6 6 DG H3' H 1 5.033 . . . . . . A 6 DG H3' . 18699 1
49 . 1 1 6 6 DG H4' H 1 4.52 . . . . . . A 6 DG H4' . 18699 1
50 . 1 1 6 6 DG H8 H 1 7.725 . . . . . . A 6 DG H8 . 18699 1
51 . 1 1 7 7 DG H1 H 1 11.05 . . . . . . A 7 DG H1 . 18699 1
52 . 1 1 7 7 DG H1' H 1 6.128 . . . . . . A 7 DG H1' . 18699 1
53 . 1 1 7 7 DG H2' H 1 2.418 . . . . . . A 7 DG H2' . 18699 1
54 . 1 1 7 7 DG H2'' H 1 2.66 . . . . . . A 7 DG H2'' . 18699 1
55 . 1 1 7 7 DG H3' H 1 4.921 . . . . . . A 7 DG H3' . 18699 1
56 . 1 1 7 7 DG H4' H 1 4.249 . . . . . . A 7 DG H4' . 18699 1
57 . 1 1 7 7 DG H8 H 1 7.764 . . . . . . A 7 DG H8 . 18699 1
58 . 1 1 8 8 DT H1' H 1 6.435 . . . . . . A 8 DT H1' . 18699 1
59 . 1 1 8 8 DT H2' H 1 2.35 . . . . . . A 8 DT H2' . 18699 1
60 . 1 1 8 8 DT H2'' H 1 2.585 . . . . . . A 8 DT H2'' . 18699 1
61 . 1 1 8 8 DT H3' H 1 4.656 . . . . . . A 8 DT H3' . 18699 1
62 . 1 1 8 8 DT H4' H 1 4.427 . . . . . . A 8 DT H4' . 18699 1
63 . 1 1 8 8 DT H5' H 1 4.015 . . 2 . . . A 8 DT H5' . 18699 1
64 . 1 1 8 8 DT H5'' H 1 4.155 . . 2 . . . A 8 DT H5'' . 18699 1
65 . 1 1 8 8 DT H6 H 1 7.76 . . . . . . A 8 DT H6 . 18699 1
66 . 1 1 8 8 DT H71 H 1 1.91 . . . . . . A 8 DT H7 . 18699 1
67 . 1 1 8 8 DT H72 H 1 1.91 . . . . . . A 8 DT H7 . 18699 1
68 . 1 1 8 8 DT H73 H 1 1.91 . . . . . . A 8 DT H7 . 18699 1
69 . 1 1 9 9 DT H1' H 1 6.548 . . . . . . A 9 DT H1' . 18699 1
70 . 1 1 9 9 DT H2' H 1 2.636 . . . . . . A 9 DT H2' . 18699 1
71 . 1 1 9 9 DT H2'' H 1 2.718 . . . . . . A 9 DT H2'' . 18699 1
72 . 1 1 9 9 DT H3' H 1 5.007 . . . . . . A 9 DT H3' . 18699 1
73 . 1 1 9 9 DT H4' H 1 4.472 . . . . . . A 9 DT H4' . 18699 1
74 . 1 1 9 9 DT H5'' H 1 4.228 . . 2 . . . A 9 DT H5'' . 18699 1
75 . 1 1 9 9 DT H6 H 1 7.82 . . . . . . A 9 DT H6 . 18699 1
76 . 1 1 9 9 DT H71 H 1 2.043 . . . . . . A 9 DT H7 . 18699 1
77 . 1 1 9 9 DT H72 H 1 2.043 . . . . . . A 9 DT H7 . 18699 1
78 . 1 1 9 9 DT H73 H 1 2.043 . . . . . . A 9 DT H7 . 18699 1
79 . 1 1 10 10 DG H1 H 1 11.58 . . . . . . A 10 DG H1 . 18699 1
80 . 1 1 10 10 DG H1' H 1 6.115 . . . . . . A 10 DG H1' . 18699 1
81 . 1 1 10 10 DG H2' H 1 2.715 . . . . . . A 10 DG H2' . 18699 1
82 . 1 1 10 10 DG H2'' H 1 2.215 . . . . . . A 10 DG H2'' . 18699 1
83 . 1 1 10 10 DG H3' H 1 5.000 . . . . . . A 10 DG H3' . 18699 1
84 . 1 1 10 10 DG H4' H 1 4.471 . . . . . . A 10 DG H4' . 18699 1
85 . 1 1 10 10 DG H5' H 1 4.341 . . 2 . . . A 10 DG H5' . 18699 1
86 . 1 1 10 10 DG H5'' H 1 4.343 . . 2 . . . A 10 DG H5'' . 18699 1
87 . 1 1 10 10 DG H8 H 1 7.759 . . . . . . A 10 DG H8 . 18699 1
88 . 1 1 11 11 DG H1 H 1 11.96 . . . . . . A 11 DG H1 . 18699 1
89 . 1 1 11 11 DG H1' H 1 6.099 . . . . . . A 11 DG H1' . 18699 1
90 . 1 1 11 11 DG H2' H 1 2.947 . . . . . . A 11 DG H2' . 18699 1
91 . 1 1 11 11 DG H2'' H 1 2.95 . . . . . . A 11 DG H2'' . 18699 1
92 . 1 1 11 11 DG H3' H 1 5.042 . . . . . . A 11 DG H3' . 18699 1
93 . 1 1 11 11 DG H4' H 1 4.57 . . . . . . A 11 DG H4' . 18699 1
94 . 1 1 11 11 DG H8 H 1 7.63 . . . . . . A 11 DG H8 . 18699 1
95 . 1 1 12 12 DG H1 H 1 10.88 . . . . . . A 12 DG H1 . 18699 1
96 . 1 1 12 12 DG H1' H 1 6.328 . . . . . . A 12 DG H1' . 18699 1
97 . 1 1 12 12 DG H2' H 1 2.456 . . . . . . A 12 DG H2' . 18699 1
98 . 1 1 12 12 DG H2'' H 1 2.695 . . . . . . A 12 DG H2'' . 18699 1
99 . 1 1 12 12 DG H3' H 1 5.106 . . . . . . A 12 DG H3' . 18699 1
100 . 1 1 12 12 DG H4' H 1 4.564 . . . . . . A 12 DG H4' . 18699 1
101 . 1 1 12 12 DG H8 H 1 7.801 . . . . . . A 12 DG H8 . 18699 1
102 . 1 1 13 13 DT H1' H 1 6.507 . . . . . . A 13 DT H1' . 18699 1
103 . 1 1 13 13 DT H2' H 1 2.488 . . . . . . A 13 DT H2' . 18699 1
104 . 1 1 13 13 DT H2'' H 1 2.736 . . . . . . A 13 DT H2'' . 18699 1
105 . 1 1 13 13 DT H3' H 1 5.089 . . . . . . A 13 DT H3' . 18699 1
106 . 1 1 13 13 DT H4' H 1 4.538 . . . . . . A 13 DT H4' . 18699 1
107 . 1 1 13 13 DT H6 H 1 7.815 . . . . . . A 13 DT H6 . 18699 1
108 . 1 1 13 13 DT H71 H 1 1.977 . . . . . . A 13 DT H7 . 18699 1
109 . 1 1 13 13 DT H72 H 1 1.977 . . . . . . A 13 DT H7 . 18699 1
110 . 1 1 13 13 DT H73 H 1 1.977 . . . . . . A 13 DT H7 . 18699 1
111 . 1 1 14 14 DG H1 H 1 11.13 . . . . . . A 14 DG H1 . 18699 1
112 . 1 1 14 14 DG H1' H 1 6.206 . . . . . . A 14 DG H1' . 18699 1
113 . 1 1 14 14 DG H2' H 1 2.226 . . . . . . A 14 DG H2' . 18699 1
114 . 1 1 14 14 DG H2'' H 1 2.78 . . . . . . A 14 DG H2'' . 18699 1
115 . 1 1 14 14 DG H3' H 1 5.134 . . . . . . A 14 DG H3' . 18699 1
116 . 1 1 14 14 DG H4' H 1 4.55 . . . . . . A 14 DG H4' . 18699 1
117 . 1 1 14 14 DG H5' H 1 4.33 . . 2 . . . A 14 DG H5' . 18699 1
118 . 1 1 14 14 DG H5'' H 1 4.31 . . 2 . . . A 14 DG H5'' . 18699 1
119 . 1 1 14 14 DG H8 H 1 7.865 . . . . . . A 14 DG H8 . 18699 1
120 . 1 1 15 15 DG H1' H 1 6.307 . . . . . . A 15 DG H1' . 18699 1
121 . 1 1 15 15 DG H2' H 1 3.049 . . . . . . A 15 DG H2' . 18699 1
122 . 1 1 15 15 DG H2'' H 1 2.833 . . . . . . A 15 DG H2'' . 18699 1
123 . 1 1 15 15 DG H3' H 1 5.122 . . . . . . A 15 DG H3' . 18699 1
124 . 1 1 15 15 DG H4' H 1 4.608 . . . . . . A 15 DG H4' . 18699 1
125 . 1 1 15 15 DG H5' H 1 4.24 . . 2 . . . A 15 DG H5' . 18699 1
126 . 1 1 15 15 DG H5'' H 1 4.415 . . 2 . . . A 15 DG H5'' . 18699 1
127 . 1 1 15 15 DG H8 H 1 8.172 . . . . . . A 15 DG H8 . 18699 1
128 . 1 1 16 16 DG H1 H 1 10.95 . . . . . . A 16 DG H1 . 18699 1
129 . 1 1 16 16 DG H1' H 1 6.128 . . . . . . A 16 DG H1' . 18699 1
130 . 1 1 16 16 DG H2' H 1 2.245 . . . . . . A 16 DG H2' . 18699 1
131 . 1 1 16 16 DG H2'' H 1 2.408 . . . . . . A 16 DG H2'' . 18699 1
132 . 1 1 16 16 DG H3' H 1 4.667 . . . . . . A 16 DG H3' . 18699 1
133 . 1 1 16 16 DG H4' H 1 4.255 . . . . . . A 16 DG H4' . 18699 1
134 . 1 1 16 16 DG H8 H 1 7.563 . . . . . . A 16 DG H8 . 18699 1
stop_
save_