###################################
# 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 52121
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name d(CpG)3
_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' . . . 52121 1
2 '2D 1H-13C HSQC' . . . 52121 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52121 1
2 $software_2 . . 52121 1
3 $software_3 . . 52121 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 5.812 0.008 . 1 . . . . . 1 C H1' . 52121 1
2 . 1 . 1 1 1 DC H2' H 1 2.020 0.002 . 1 . . . . . 1 C H2' . 52121 1
3 . 1 . 1 1 1 DC H2'' H 1 2.463 0.001 . 1 . . . . . 1 C H2'' . 52121 1
4 . 1 . 1 1 1 DC H3' H 1 4.744 0.001 . 1 . . . . . 1 C H3' . 52121 1
5 . 1 . 1 1 1 DC H4' H 1 4.103 0.001 . 1 . . . . . 1 C H4' . 52121 1
6 . 1 . 1 1 1 DC H5 H 1 5.966 0.008 . 1 . . . . . 1 C H5 . 52121 1
7 . 1 . 1 1 1 DC H5' H 1 3.756 0.001 . 1 . . . . . 1 C H5' . 52121 1
8 . 1 . 1 1 1 DC H5'' H 1 3.756 0.001 . 1 . . . . . 1 C H5'' . 52121 1
9 . 1 . 1 1 1 DC H6 H 1 7.681 0.002 . 1 . . . . . 1 C H6 . 52121 1
10 . 1 . 1 1 1 DC C1' C 13 87.153 0.884 . 1 . . . . . 1 C C1' . 52121 1
11 . 1 . 1 1 1 DC C2' C 13 39.797 0.005 . 1 . . . . . 1 C C2' . 52121 1
12 . 1 . 1 1 1 DC C3' C 13 77.881 0.000 . 1 . . . . . 1 C C3' . 52121 1
13 . 1 . 1 1 1 DC C4' C 13 88.180 0.000 . 1 . . . . . 1 C C4' . 52121 1
14 . 1 . 1 1 1 DC C5 C 13 99.607 0.086 . 1 . . . . . 1 C C5 . 52121 1
15 . 1 . 1 1 1 DC C5' C 13 63.685 0.001 . 1 . . . . . 1 C C5' . 52121 1
16 . 1 . 1 1 1 DC C6 C 13 143.263 0.034 . 1 . . . . . 1 C C6 . 52121 1
17 . 1 . 1 2 2 DG H1 H 1 13.124 0.003 . 1 . . . . . 2 G H1 . 52121 1
18 . 1 . 1 2 2 DG H1' H 1 5.951 0.002 . 1 . . . . . 2 G H1' . 52121 1
19 . 1 . 1 2 2 DG H2' H 1 2.725 0.001 . 1 . . . . . 2 G H2' . 52121 1
20 . 1 . 1 2 2 DG H2'' H 1 2.781 0.000 . 1 . . . . . 2 G H2'' . 52121 1
21 . 1 . 1 2 2 DG H3' H 1 5.017 0.001 . 1 . . . . . 2 G H3' . 52121 1
22 . 1 . 1 2 2 DG H4' H 1 4.394 0.001 . 1 . . . . . 2 G H4' . 52121 1
23 . 1 . 1 2 2 DG H5' H 1 4.142 0.000 . 1 . . . . . 2 G H5' . 52121 1
24 . 1 . 1 2 2 DG H5'' H 1 4.029 0.000 . 1 . . . . . 2 G H5'' . 52121 1
25 . 1 . 1 2 2 DG H8 H 1 8.014 0.001 . 1 . . . . . 2 G H8 . 52121 1
26 . 1 . 1 2 2 DG C1' C 13 84.414 0.001 . 1 . . . . . 2 G C1' . 52121 1
27 . 1 . 1 2 2 DG C2' C 13 39.987 0.001 . 1 . . . . . 2 G C2' . 52121 1
28 . 1 . 1 2 2 DG C3' C 13 79.797 0.000 . 1 . . . . . 2 G C3' . 52121 1
29 . 1 . 1 2 2 DG C4' C 13 87.291 0.000 . 1 . . . . . 2 G C4' . 52121 1
30 . 1 . 1 2 2 DG C5' C 13 68.296 0.002 . 1 . . . . . 2 G C5' . 52121 1
31 . 1 . 1 2 2 DG C8 C 13 138.101 0.030 . 1 . . . . . 2 G C8 . 52121 1
32 . 1 . 1 3 3 DC H1' H 1 5.793 0.001 . 1 . . . . . 3 C H1' . 52121 1
33 . 1 . 1 3 3 DC H2' H 1 2.075 0.000 . 1 . . . . . 3 C H2' . 52121 1
34 . 1 . 1 3 3 DC H2'' H 1 2.455 0.001 . 1 . . . . . 3 C H2'' . 52121 1
35 . 1 . 1 3 3 DC H3' H 1 4.900 0.005 . 1 . . . . . 3 C H3' . 52121 1
36 . 1 . 1 3 3 DC H4' H 1 4.233 0.003 . 1 . . . . . 3 C H4' . 52121 1
37 . 1 . 1 3 3 DC H5 H 1 5.475 0.003 . 1 . . . . . 3 C H5 . 52121 1
38 . 1 . 1 3 3 DC H5' H 1 4.231 0.000 . 1 . . . . . 3 C H5' . 52121 1
39 . 1 . 1 3 3 DC H5'' H 1 4.179 0.000 . 1 . . . . . 3 C H5'' . 52121 1
40 . 1 . 1 3 3 DC H6 H 1 7.402 0.003 . 1 . . . . . 3 C H6 . 52121 1
41 . 1 . 1 3 3 DC H41 H 1 8.450 0.002 . 1 . . . . . 3 C H41 . 52121 1
42 . 1 . 1 3 3 DC H42 H 1 6.505 0.001 . 1 . . . . . 3 C H42 . 52121 1
43 . 1 . 1 3 3 DC C1' C 13 86.467 0.005 . 1 . . . . . 3 C C1' . 52121 1
44 . 1 . 1 3 3 DC C2' C 13 39.805 0.000 . 1 . . . . . 3 C C2' . 52121 1
45 . 1 . 1 3 3 DC C3' C 13 77.357 0.000 . 1 . . . . . 3 C C3' . 52121 1
46 . 1 . 1 3 3 DC C4' C 13 85.602 0.000 . 1 . . . . . 3 C C4' . 52121 1
47 . 1 . 1 3 3 DC C5 C 13 98.703 0.057 . 1 . . . . . 3 C C5 . 52121 1
48 . 1 . 1 3 3 DC C5' C 13 67.517 0.000 . 1 . . . . . 3 C C5' . 52121 1
49 . 1 . 1 3 3 DC C6 C 13 142.415 0.007 . 1 . . . . . 3 C C6 . 52121 1
50 . 1 . 1 4 4 DG H1 H 1 13.096 0.002 . 1 . . . . . 4 G H1 . 52121 1
51 . 1 . 1 4 4 DG H1' H 1 5.931 0.001 . 1 . . . . . 4 G H1' . 52121 1
52 . 1 . 1 4 4 DG H2' H 1 2.679 0.001 . 1 . . . . . 4 G H2' . 52121 1
53 . 1 . 1 4 4 DG H2'' H 1 2.749 0.003 . 1 . . . . . 4 G H2'' . 52121 1
54 . 1 . 1 4 4 DG H3' H 1 5.020 0.000 . 1 . . . . . 4 G H3' . 52121 1
55 . 1 . 1 4 4 DG H4' H 1 4.404 0.000 . 1 . . . . . 4 G H4' . 52121 1
56 . 1 . 1 4 4 DG H5' H 1 4.157 0.000 . 1 . . . . . 4 G H5' . 52121 1
57 . 1 . 1 4 4 DG H5'' H 1 4.075 0.000 . 1 . . . . . 4 G H5'' . 52121 1
58 . 1 . 1 4 4 DG H8 H 1 7.956 0.002 . 1 . . . . . 4 G H8 . 52121 1
59 . 1 . 1 4 4 DG C1' C 13 84.461 0.005 . 1 . . . . . 4 G C1' . 52121 1
60 . 1 . 1 4 4 DG C2' C 13 40.043 0.003 . 1 . . . . . 4 G C2' . 52121 1
61 . 1 . 1 4 4 DG C3' C 13 79.798 0.000 . 1 . . . . . 4 G C3' . 52121 1
62 . 1 . 1 4 4 DG C4' C 13 87.269 0.000 . 1 . . . . . 4 G C4' . 52121 1
63 . 1 . 1 4 4 DG C5' C 13 68.317 0.005 . 1 . . . . . 4 G C5' . 52121 1
64 . 1 . 1 4 4 DG C8 C 13 138.100 0.024 . 1 . . . . . 4 G C8 . 52121 1
65 . 1 . 1 5 5 DC H1' H 1 5.815 0.001 . 1 . . . . . 5 C H1' . 52121 1
66 . 1 . 1 5 5 DC H2' H 1 1.935 0.002 . 1 . . . . . 5 C H2' . 52121 1
67 . 1 . 1 5 5 DC H2'' H 1 2.381 0.007 . 1 . . . . . 5 C H2'' . 52121 1
68 . 1 . 1 5 5 DC H3' H 1 4.848 0.002 . 1 . . . . . 5 C H3' . 52121 1
69 . 1 . 1 5 5 DC H4' H 1 4.191 0.001 . 1 . . . . . 5 C H4' . 52121 1
70 . 1 . 1 5 5 DC H5 H 1 5.504 0.007 . 1 . . . . . 5 C H5 . 52121 1
71 . 1 . 1 5 5 DC H5' H 1 4.242 0.001 . 1 . . . . . 5 C H5' . 52121 1
72 . 1 . 1 5 5 DC H5'' H 1 4.150 0.000 . 1 . . . . . 5 C H5'' . 52121 1
73 . 1 . 1 5 5 DC H6 H 1 7.370 0.003 . 1 . . . . . 5 C H6 . 52121 1
74 . 1 . 1 5 5 DC H41 H 1 8.527 0.002 . 1 . . . . . 5 C H41 . 52121 1
75 . 1 . 1 5 5 DC H42 H 1 6.643 0.000 . 1 . . . . . 5 C H42 . 52121 1
76 . 1 . 1 5 5 DC C1' C 13 87.164 0.929 . 1 . . . . . 5 C C1' . 52121 1
77 . 1 . 1 5 5 DC C2' C 13 39.567 0.001 . 1 . . . . . 5 C C2' . 52121 1
78 . 1 . 1 5 5 DC C3' C 13 76.479 0.000 . 1 . . . . . 5 C C3' . 52121 1
79 . 1 . 1 5 5 DC C4' C 13 85.387 0.000 . 1 . . . . . 5 C C4' . 52121 1
80 . 1 . 1 5 5 DC C5 C 13 98.563 0.112 . 1 . . . . . 5 C C5 . 52121 1
81 . 1 . 1 5 5 DC C5' C 13 66.950 0.017 . 1 . . . . . 5 C C5' . 52121 1
82 . 1 . 1 5 5 DC C6 C 13 142.492 0.001 . 1 . . . . . 5 C C6 . 52121 1
83 . 1 . 1 6 6 DG H1' H 1 6.200 0.001 . 1 . . . . . 6 G H1' . 52121 1
84 . 1 . 1 6 6 DG H2' H 1 2.406 0.001 . 1 . . . . . 6 G H2' . 52121 1
85 . 1 . 1 6 6 DG H2'' H 1 2.648 0.002 . 1 . . . . . 6 G H2'' . 52121 1
86 . 1 . 1 6 6 DG H3' H 1 4.706 0.004 . 1 . . . . . 6 G H3' . 52121 1
87 . 1 . 1 6 6 DG H4' H 1 4.209 0.001 . 1 . . . . . 6 G H4' . 52121 1
88 . 1 . 1 6 6 DG H5' H 1 4.118 0.000 . 1 . . . . . 6 G H5' . 52121 1
89 . 1 . 1 6 6 DG H5'' H 1 4.104 0.000 . 1 . . . . . 6 G H5'' . 52121 1
90 . 1 . 1 6 6 DG H8 H 1 7.978 0.001 . 1 . . . . . 6 G H8 . 52121 1
91 . 1 . 1 6 6 DG C1' C 13 84.651 0.012 . 1 . . . . . 6 G C1' . 52121 1
92 . 1 . 1 6 6 DG C2' C 13 41.752 0.000 . 1 . . . . . 6 G C2' . 52121 1
93 . 1 . 1 6 6 DG C3' C 13 73.249 0.000 . 1 . . . . . 6 G C3' . 52121 1
94 . 1 . 1 6 6 DG C4' C 13 87.830 0.000 . 1 . . . . . 6 G C4' . 52121 1
95 . 1 . 1 6 6 DG C5' C 13 67.434 0.003 . 1 . . . . . 6 G C5' . 52121 1
96 . 1 . 1 6 6 DG C8 C 13 139.199 0.029 . 1 . . . . . 6 G C8 . 52121 1
stop_
save_