###################################
# 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 19863
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_AG(7-deaza)G
_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 COSY' . . . 19863 1
2 '2D 1H-1H NOESY' . . . 19863 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 $AMBER . . 19863 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 DC H1' H 1 5.749 0.01 . 1 . . . . . 1 DC H1' . 19863 1
2 . 1 1 1 1 DC H2' H 1 2.039 0.01 . 1 . . . . . 1 DC H2' . 19863 1
3 . 1 1 1 1 DC H2'' H 1 2.427 0.01 . 1 . . . . . 1 DC H2'' . 19863 1
4 . 1 1 1 1 DC H3' H 1 4.562 0.01 . 1 . . . . . 1 DC H3' . 19863 1
5 . 1 1 1 1 DC H5 H 1 5.819 0.01 . 1 . . . . . 1 DC H5 . 19863 1
6 . 1 1 1 1 DC H6 H 1 7.751 0.01 . 1 . . . . . 1 DC H6 . 19863 1
7 . 1 1 2 2 DT H1' H 1 5.406 0.01 . 1 . . . . . 2 DT H1' . 19863 1
8 . 1 1 2 2 DT H2' H 1 2.000 0.01 . 1 . . . . . 2 DT H2' . 19863 1
9 . 1 1 2 2 DT H2'' H 1 2.220 0.01 . 1 . . . . . 2 DT H2'' . 19863 1
10 . 1 1 2 2 DT H3' H 1 4.762 0.01 . 1 . . . . . 2 DT H3' . 19863 1
11 . 1 1 2 2 DT H6 H 1 7.449 0.01 . 1 . . . . . 2 DT H6 . 19863 1
12 . 1 1 2 2 DT H71 H 1 1.605 0.01 . 1 . . . . . 2 DT H7 . 19863 1
13 . 1 1 2 2 DT H72 H 1 1.605 0.01 . 1 . . . . . 2 DT H7 . 19863 1
14 . 1 1 2 2 DT H73 H 1 1.605 0.01 . 1 . . . . . 2 DT H7 . 19863 1
15 . 1 1 3 3 DA H1' H 1 5.850 0.01 . 1 . . . . . 3 DA H1' . 19863 1
16 . 1 1 3 3 DA H2' H 1 2.549 0.01 . 1 . . . . . 3 DA H2' . 19863 1
17 . 1 1 3 3 DA H2'' H 1 2.683 0.01 . 1 . . . . . 3 DA H2'' . 19863 1
18 . 1 1 3 3 DA H3' H 1 4.978 0.01 . 1 . . . . . 3 DA H3' . 19863 1
19 . 1 1 3 3 DA H8 H 1 8.047 0.01 . 1 . . . . . 3 DA H8 . 19863 1
20 . 1 1 4 4 DA H1' H 1 5.908 0.01 . 1 . . . . . 4 DA H1' . 19863 1
21 . 1 1 4 4 DA H2 H 1 7.491 0.01 . 1 . . . . . 4 DA H2 . 19863 1
22 . 1 1 4 4 DA H2' H 1 2.610 0.01 . 1 . . . . . 4 DA H2' . 19863 1
23 . 1 1 4 4 DA H2'' H 1 2.746 0.01 . 1 . . . . . 4 DA H2'' . 19863 1
24 . 1 1 4 4 DA H3' H 1 4.976 0.01 . 1 . . . . . 4 DA H3' . 19863 1
25 . 1 1 4 4 DA H8 H 1 8.111 0.01 . 1 . . . . . 4 DA H8 . 19863 1
26 . 1 1 5 5 FAG H1' H 1 5.844 0.01 . 1 . . . . . 5 FAG H1' . 19863 1
27 . 1 1 5 5 FAG H2' H 1 1.847 0.01 . 1 . . . . . 5 FAG H2' . 19863 1
28 . 1 1 5 5 FAG H2'' H 1 2.093 0.01 . 1 . . . . . 5 FAG H2'' . 19863 1
29 . 1 1 5 5 FAG H3' H 1 4.488 0.01 . 1 . . . . . 5 FAG H3' . 19863 1
30 . 1 1 5 5 FAG H5 H 1 5.732 0.01 . 1 . . . . . 5 FAG H5 . 19863 1
31 . 1 1 5 5 FAG H6A H 1 6.183 0.01 . 1 . . . . . 5 FAG H6A . 19863 1
32 . 1 1 5 5 FAG H7 H 1 3.486 0.01 . 1 . . . . . 5 FAG H7 . 19863 1
33 . 1 1 5 5 FAG H8 H 1 7.714 0.01 . 1 . . . . . 5 FAG H8 . 19863 1
34 . 1 1 5 5 FAG H8A H 1 6.181 0.01 . 1 . . . . . 5 FAG H8A . 19863 1
35 . 1 1 5 5 FAG H9 H 1 4.630 0.01 . 1 . . . . . 5 FAG H9 . 19863 1
36 . 1 1 5 5 FAG H9A H 1 3.609 0.01 . 1 . . . . . 5 FAG H9A . 19863 1
37 . 1 1 6 6 7GU H1' H 1 6.072 0.01 . 1 . . . . . 6 7GU H1' . 19863 1
38 . 1 1 6 6 7GU H2' H 1 2.463 0.01 . 1 . . . . . 6 7GU H2' . 19863 1
39 . 1 1 6 6 7GU H2'' H 1 2.547 0.01 . 1 . . . . . 6 7GU H2'' . 19863 1
40 . 1 1 6 6 7GU H8 H 1 6.802 0.01 . 1 . . . . . 6 7GU H8 . 19863 1
41 . 1 1 6 6 7GU H9 H 1 4.910 0.01 . 1 . . . . . 6 7GU H9 . 19863 1
42 . 1 1 7 7 DT H1' H 1 6.071 0.01 . 1 . . . . . 7 DT H1' . 19863 1
43 . 1 1 7 7 DT H2' H 1 2.120 0.01 . 1 . . . . . 7 DT H2' . 19863 1
44 . 1 1 7 7 DT H2'' H 1 2.508 0.01 . 1 . . . . . 7 DT H2'' . 19863 1
45 . 1 1 7 7 DT H3' H 1 4.829 0.01 . 1 . . . . . 7 DT H3' . 19863 1
46 . 1 1 7 7 DT H6 H 1 7.210 0.01 . 1 . . . . . 7 DT H6 . 19863 1
47 . 1 1 7 7 DT H71 H 1 1.182 0.01 . 1 . . . . . 7 DT H7 . 19863 1
48 . 1 1 7 7 DT H72 H 1 1.182 0.01 . 1 . . . . . 7 DT H7 . 19863 1
49 . 1 1 7 7 DT H73 H 1 1.182 0.01 . 1 . . . . . 7 DT H7 . 19863 1
50 . 1 1 8 8 DT H1' H 1 6.023 0.01 . 1 . . . . . 8 DT H1' . 19863 1
51 . 1 1 8 8 DT H2' H 1 1.988 0.01 . 1 . . . . . 8 DT H2' . 19863 1
52 . 1 1 8 8 DT H2'' H 1 2.381 0.01 . 1 . . . . . 8 DT H2'' . 19863 1
53 . 1 1 8 8 DT H3' H 1 4.805 0.01 . 1 . . . . . 8 DT H3' . 19863 1
54 . 1 1 8 8 DT H6 H 1 7.343 0.01 . 1 . . . . . 8 DT H6 . 19863 1
55 . 1 1 8 8 DT H71 H 1 1.556 0.01 . 1 . . . . . 8 DT H7 . 19863 1
56 . 1 1 8 8 DT H72 H 1 1.556 0.01 . 1 . . . . . 8 DT H7 . 19863 1
57 . 1 1 8 8 DT H73 H 1 1.556 0.01 . 1 . . . . . 8 DT H7 . 19863 1
58 . 1 1 9 9 DC H1' H 1 5.607 0.01 . 1 . . . . . 9 DC H1' . 19863 1
59 . 1 1 9 9 DC H2' H 1 1.950 0.01 . 1 . . . . . 9 DC H2' . 19863 1
60 . 1 1 9 9 DC H2'' H 1 2.212 0.01 . 1 . . . . . 9 DC H2'' . 19863 1
61 . 1 1 9 9 DC H3' H 1 4.749 0.01 . 1 . . . . . 9 DC H3' . 19863 1
62 . 1 1 9 9 DC H5 H 1 5.691 0.01 . 1 . . . . . 9 DC H5 . 19863 1
63 . 1 1 9 9 DC H6 H 1 7.451 0.01 . 1 . . . . . 9 DC H6 . 19863 1
64 . 1 1 10 10 DA H1' H 1 6.272 0.01 . 1 . . . . . 10 DA H1' . 19863 1
65 . 1 1 10 10 DA H2' H 1 2.651 0.01 . 1 . . . . . 10 DA H2' . 19863 1
66 . 1 1 10 10 DA H2'' H 1 2.388 0.01 . 1 . . . . . 10 DA H2'' . 19863 1
67 . 1 1 10 10 DA H3' H 1 4.648 0.01 . 1 . . . . . 10 DA H3' . 19863 1
68 . 1 1 10 10 DA H8 H 1 8.218 0.01 . 1 . . . . . 10 DA H8 . 19863 1
69 . 2 2 1 1 DT H1' H 1 5.677 0.01 . 1 . . . . B 11 DT H1' . 19863 1
70 . 2 2 1 1 DT H2' H 1 1.642 0.01 . 1 . . . . B 11 DT H2' . 19863 1
71 . 2 2 1 1 DT H2'' H 1 2.094 0.01 . 1 . . . . B 11 DT H2'' . 19863 1
72 . 2 2 1 1 DT H3' H 1 4.527 0.01 . 1 . . . . B 11 DT H3' . 19863 1
73 . 2 2 1 1 DT H6 H 1 7.286 0.01 . 1 . . . . B 11 DT H6 . 19863 1
74 . 2 2 1 1 DT H71 H 1 1.550 0.01 . 1 . . . . B 11 DT H7 . 19863 1
75 . 2 2 1 1 DT H72 H 1 1.550 0.01 . 1 . . . . B 11 DT H7 . 19863 1
76 . 2 2 1 1 DT H73 H 1 1.550 0.01 . 1 . . . . B 11 DT H7 . 19863 1
77 . 2 2 2 2 DG H1' H 1 5.202 0.01 . 1 . . . . B 12 DG H1' . 19863 1
78 . 2 2 2 2 DG H2' H 1 2.646 0.01 . 1 . . . . B 12 DG H2' . 19863 1
79 . 2 2 2 2 DG H2'' H 1 2.659 0.01 . 1 . . . . B 12 DG H2'' . 19863 1
80 . 2 2 2 2 DG H8 H 1 7.900 0.01 . 1 . . . . B 12 DG H8 . 19863 1
81 . 2 2 3 3 DA H1' H 1 5.847 0.01 . 1 . . . . B 13 DA H1' . 19863 1
82 . 2 2 3 3 DA H2' H 1 2.676 0.01 . 1 . . . . B 13 DA H2' . 19863 1
83 . 2 2 3 3 DA H2'' H 1 2.798 0.01 . 1 . . . . B 13 DA H2'' . 19863 1
84 . 2 2 3 3 DA H3' H 1 4.997 0.01 . 1 . . . . B 13 DA H3' . 19863 1
85 . 2 2 3 3 DA H8 H 1 8.154 0.01 . 1 . . . . B 13 DA H8 . 19863 1
86 . 2 2 4 4 DA H1' H 1 6.086 0.01 . 1 . . . . B 14 DA H1' . 19863 1
87 . 2 2 4 4 DA H2' H 1 2.529 0.01 . 1 . . . . B 14 DA H2' . 19863 1
88 . 2 2 4 4 DA H2'' H 1 2.762 0.01 . 1 . . . . B 14 DA H2'' . 19863 1
89 . 2 2 4 4 DA H3' H 1 4.917 0.01 . 1 . . . . B 14 DA H3' . 19863 1
90 . 2 2 4 4 DA H8 H 1 8.050 0.01 . 1 . . . . B 14 DA H8 . 19863 1
91 . 2 2 5 5 DC H1' H 1 5.652 0.01 . 1 . . . . B 15 DC H1' . 19863 1
92 . 2 2 5 5 DC H2' H 1 1.821 0.01 . 1 . . . . B 15 DC H2' . 19863 1
93 . 2 2 5 5 DC H2'' H 1 2.347 0.01 . 1 . . . . B 15 DC H2'' . 19863 1
94 . 2 2 5 5 DC H3' H 1 4.619 0.01 . 1 . . . . B 15 DC H3' . 19863 1
95 . 2 2 5 5 DC H5 H 1 4.923 0.01 . 1 . . . . B 15 DC H5 . 19863 1
96 . 2 2 5 5 DC H6 H 1 7.000 0.01 . 1 . . . . B 15 DC H6 . 19863 1
97 . 2 2 6 6 DC H1' H 1 5.853 0.01 . 1 . . . . B 16 DC H1' . 19863 1
98 . 2 2 6 6 DC H2' H 1 2.193 0.01 . 1 . . . . B 16 DC H2' . 19863 1
99 . 2 2 6 6 DC H2'' H 1 2.260 0.01 . 1 . . . . B 16 DC H2'' . 19863 1
100 . 2 2 6 6 DC H3' H 1 4.794 0.01 . 1 . . . . B 16 DC H3' . 19863 1
101 . 2 2 6 6 DC H5 H 1 5.407 0.01 . 1 . . . . B 16 DC H5 . 19863 1
102 . 2 2 6 6 DC H6 H 1 7.372 0.01 . 1 . . . . B 16 DC H6 . 19863 1
103 . 2 2 7 7 DT H1' H 1 5.935 0.01 . 1 . . . . B 17 DT H1' . 19863 1
104 . 2 2 7 7 DT H2' H 1 2.346 0.01 . 1 . . . . B 17 DT H2' . 19863 1
105 . 2 2 7 7 DT H2'' H 1 2.444 0.01 . 1 . . . . B 17 DT H2'' . 19863 1
106 . 2 2 7 7 DT H3' H 1 4.774 0.01 . 1 . . . . B 17 DT H3' . 19863 1
107 . 2 2 7 7 DT H6 H 1 7.571 0.01 . 1 . . . . B 17 DT H6 . 19863 1
108 . 2 2 7 7 DT H71 H 1 1.748 0.01 . 1 . . . . B 17 DT H7 . 19863 1
109 . 2 2 7 7 DT H72 H 1 1.748 0.01 . 1 . . . . B 17 DT H7 . 19863 1
110 . 2 2 7 7 DT H73 H 1 1.748 0.01 . 1 . . . . B 17 DT H7 . 19863 1
111 . 2 2 8 8 DT H1' H 1 5.465 0.01 . 1 . . . . B 18 DT H1' . 19863 1
112 . 2 2 8 8 DT H2' H 1 2.021 0.01 . 1 . . . . B 18 DT H2' . 19863 1
113 . 2 2 8 8 DT H2'' H 1 2.278 0.01 . 1 . . . . B 18 DT H2'' . 19863 1
114 . 2 2 8 8 DT H3' H 1 4.776 0.01 . 1 . . . . B 18 DT H3' . 19863 1
115 . 2 2 8 8 DT H6 H 1 7.409 0.01 . 1 . . . . B 18 DT H6 . 19863 1
116 . 2 2 8 8 DT H71 H 1 1.641 0.01 . 1 . . . . B 18 DT H7 . 19863 1
117 . 2 2 8 8 DT H72 H 1 1.641 0.01 . 1 . . . . B 18 DT H7 . 19863 1
118 . 2 2 8 8 DT H73 H 1 1.641 0.01 . 1 . . . . B 18 DT H7 . 19863 1
119 . 2 2 9 9 DA H1' H 1 6.020 0.01 . 1 . . . . B 19 DA H1' . 19863 1
120 . 2 2 9 9 DA H2' H 1 2.683 0.01 . 1 . . . . B 19 DA H2' . 19863 1
121 . 2 2 9 9 DA H2'' H 1 2.830 0.01 . 1 . . . . B 19 DA H2'' . 19863 1
122 . 2 2 9 9 DA H3' H 1 4.988 0.01 . 1 . . . . B 19 DA H3' . 19863 1
123 . 2 2 9 9 DA H8 H 1 8.204 0.01 . 1 . . . . B 19 DA H8 . 19863 1
124 . 2 2 10 10 DG H1' H 1 5.932 0.01 . 1 . . . . B 20 DG H1' . 19863 1
125 . 2 2 10 10 DG H2' H 1 2.367 0.01 . 1 . . . . B 20 DG H2' . 19863 1
126 . 2 2 10 10 DG H2'' H 1 2.189 0.01 . 1 . . . . B 20 DG H2'' . 19863 1
127 . 2 2 10 10 DG H3' H 1 4.566 0.01 . 1 . . . . B 20 DG H3' . 19863 1
128 . 2 2 10 10 DG H8 H 1 7.662 0.01 . 1 . . . . B 20 DG H8 . 19863 1
stop_
save_