###################################
# 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 17746
_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 0.003
_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' . . . 17746 1
2 '2D 1H-1H COSY' . . . 17746 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 6.058 0.005 . . . . . A 1 DG H1' . 17746 1
2 . 1 1 1 1 DG H2' H 1 2.690 0.005 . . . . . A 1 DG H2' . 17746 1
3 . 1 1 1 1 DG H2'' H 1 2.839 0.005 . 2 . . . A 1 DG H2'' . 17746 1
4 . 1 1 1 1 DG H3' H 1 4.859 0.005 . . . . . A 1 DG H3' . 17746 1
5 . 1 1 1 1 DG H4' H 1 4.272 0.005 . . . . . A 1 DG H4' . 17746 1
6 . 1 1 1 1 DG H8 H 1 7.997 0.005 . 1 . . . A 1 DG H8 . 17746 1
7 . 1 1 2 2 DT H1' H 1 6.001 0.005 . . . . . A 2 DT H1' . 17746 1
8 . 1 1 2 2 DT H2' H 1 2.220 0.005 . . . . . A 2 DT H2' . 17746 1
9 . 1 1 2 2 DT H2'' H 1 2.586 0.005 . 2 . . . A 2 DT H2'' . 17746 1
10 . 1 1 2 2 DT H3' H 1 4.958 0.005 . . . . . A 2 DT H3' . 17746 1
11 . 1 1 2 2 DT H4' H 1 4.292 0.005 . . . . . A 2 DT H4' . 17746 1
12 . 1 1 2 2 DT H6 H 1 7.402 0.005 . 1 . . . A 2 DT H6 . 17746 1
13 . 1 1 2 2 DT H71 H 1 1.429 0.005 . . . . . A 2 DT H7 . 17746 1
14 . 1 1 2 2 DT H72 H 1 1.429 0.005 . . . . . A 2 DT H7 . 17746 1
15 . 1 1 2 2 DT H73 H 1 1.429 0.005 . . . . . A 2 DT H7 . 17746 1
16 . 1 1 3 3 DG H1' H 1 5.876 0.005 . . . . . A 3 DG H1' . 17746 1
17 . 1 1 3 3 DG H2' H 1 2.640 0.005 . . . . . A 3 DG H2' . 17746 1
18 . 1 1 3 3 DG H2'' H 1 2.740 0.005 . 2 . . . A 3 DG H2'' . 17746 1
19 . 1 1 3 3 DG H3' H 1 5.014 0.005 . . . . . A 3 DG H3' . 17746 1
20 . 1 1 3 3 DG H4' H 1 4.398 0.005 . . . . . A 3 DG H4' . 17746 1
21 . 1 1 3 3 DG H8 H 1 7.908 0.005 . 1 . . . A 3 DG H8 . 17746 1
22 . 1 1 4 4 DC H1' H 1 6.121 0.005 . . . . . A 4 DC H1' . 17746 1
23 . 1 1 4 4 DC H2' H 1 2.224 0.005 . . . . . A 4 DC H2' . 17746 1
24 . 1 1 4 4 DC H2'' H 1 3.440 0.005 . 2 . . . A 4 DC H2'' . 17746 1
25 . 1 1 4 4 DC H3' H 1 5.014 0.005 . . . . . A 4 DC H3' . 17746 1
26 . 1 1 4 4 DC H4' H 1 4.395 0.005 . . . . . A 4 DC H4' . 17746 1
27 . 1 1 4 4 DC H5 H 1 5.432 0.005 . 1 . . . A 4 DC H5 . 17746 1
28 . 1 1 4 4 DC H6 H 1 7.551 0.005 . 1 . . . A 4 DC H6 . 17746 1
29 . 1 1 5 5 2LF H1' H 1 6.140 0.005 . . . . . A 5 2LF H1* . 17746 1
30 . 1 1 5 5 2LF H2' H 1 2.550 0.005 . . . . . A 5 2LF H2* . 17746 1
31 . 1 1 5 5 2LF H'2' H 1 2.269 0.005 . . . . . A 5 2LF H2* . 17746 1
32 . 1 1 5 5 2LF H3' H 1 4.865 0.005 . . . . . A 5 2LF H3* . 17746 1
33 . 1 1 5 5 2LF H4' H 1 5.123 0.005 . . . . . A 5 2LF H4* . 17746 1
34 . 1 1 5 5 2LF H5' H 1 5.559 0.005 . . . . . A 5 2LF H5* . 17746 1
35 . 1 1 6 6 DT H1' H 1 6.078 0.005 . . . . . A 6 DT H1' . 17746 1
36 . 1 1 6 6 DT H2' H 1 2.311 0.005 . . . . . A 6 DT H2' . 17746 1
37 . 1 1 6 6 DT H2'' H 1 2.711 0.005 . 2 . . . A 6 DT H2'' . 17746 1
38 . 1 1 6 6 DT H3' H 1 4.912 0.005 . . . . . A 6 DT H3' . 17746 1
39 . 1 1 6 6 DT H4' H 1 4.357 0.005 . . . . . A 6 DT H4' . 17746 1
40 . 1 1 6 6 DT H6 H 1 7.544 0.005 . 1 . . . A 6 DT H6 . 17746 1
41 . 1 1 6 6 DT H71 H 1 1.812 0.005 . . . . . A 6 DT H7 . 17746 1
42 . 1 1 6 6 DT H72 H 1 1.812 0.005 . . . . . A 6 DT H7 . 17746 1
43 . 1 1 6 6 DT H73 H 1 1.812 0.005 . . . . . A 6 DT H7 . 17746 1
44 . 1 1 7 7 DG H1' H 1 6.004 0.005 . . . . . A 7 DG H1' . 17746 1
45 . 1 1 7 7 DG H2' H 1 2.559 0.005 . . . . . A 7 DG H2'' . 17746 1
46 . 1 1 7 7 DG H2'' H 1 2.816 0.005 . 2 . . . A 7 DG H2'' . 17746 1
47 . 1 1 7 7 DG H3' H 1 4.942 0.005 . . . . . A 7 DG H3' . 17746 1
48 . 1 1 7 7 DG H4' H 1 4.380 0.005 . . . . . A 7 DG H4' . 17746 1
49 . 1 1 7 7 DG H8 H 1 7.781 0.005 . 1 . . . A 7 DG H8 . 17746 1
50 . 1 1 8 8 DT H1' H 1 6.029 0.005 . . . . . A 8 DT H1' . 17746 1
51 . 1 1 8 8 DT H2' H 1 2.154 0.005 . . . . . A 8 DT H2' . 17746 1
52 . 1 1 8 8 DT H2'' H 1 2.607 0.005 . 2 . . . A 8 DT H2'' . 17746 1
53 . 1 1 8 8 DT H3' H 1 4.892 0.005 . . . . . A 8 DT H3' . 17746 1
54 . 1 1 8 8 DT H4' H 1 4.275 0.005 . . . . . A 8 DT H4' . 17746 1
55 . 1 1 8 8 DT H6 H 1 7.262 0.005 . 1 . . . A 8 DT H6 . 17746 1
56 . 1 1 8 8 DT H71 H 1 1.340 0.005 . . . . . A 8 DT H7 . 17746 1
57 . 1 1 8 8 DT H72 H 1 1.340 0.005 . . . . . A 8 DT H7 . 17746 1
58 . 1 1 8 8 DT H73 H 1 1.340 0.005 . . . . . A 8 DT H7 . 17746 1
59 . 1 1 9 9 DT H1' H 1 6.164 0.005 . . . . . A 9 DT H1' . 17746 1
60 . 1 1 9 9 DT H2' H 1 2.187 0.005 . . . . . A 9 DT H2' . 17746 1
61 . 1 1 9 9 DT H2'' H 1 2.629 0.005 . 2 . . . A 9 DT H2'' . 17746 1
62 . 1 1 9 9 DT H3' H 1 4.923 0.005 . . . . . A 9 DT H3' . 17746 1
63 . 1 1 9 9 DT H6 H 1 7.469 0.005 . 1 . . . A 9 DT H6 . 17746 1
64 . 1 1 9 9 DT H71 H 1 1.629 0.005 . . . . . A 9 DT H7 . 17746 1
65 . 1 1 9 9 DT H72 H 1 1.629 0.005 . . . . . A 9 DT H7 . 17746 1
66 . 1 1 9 9 DT H73 H 1 1.629 0.005 . . . . . A 9 DT H7 . 17746 1
67 . 1 1 10 10 DT H1' H 1 5.884 0.005 . . . . . A 10 DT H1' . 17746 1
68 . 1 1 10 10 DT H2' H 1 2.018 0.005 . . . . . A 10 DT H2' . 17746 1
69 . 1 1 10 10 DT H2'' H 1 2.414 0.005 . 2 . . . A 10 DT H2'' . 17746 1
70 . 1 1 10 10 DT H3' H 1 4.933 0.005 . . . . . A 10 DT H3' . 17746 1
71 . 1 1 10 10 DT H6 H 1 7.332 0.005 . 1 . . . A 10 DT H6 . 17746 1
72 . 1 1 10 10 DT H71 H 1 1.740 0.005 . 1 . . . A 10 DT H7 . 17746 1
73 . 1 1 10 10 DT H72 H 1 1.740 0.005 . 1 . . . A 10 DT H7 . 17746 1
74 . 1 1 10 10 DT H73 H 1 1.740 0.005 . 1 . . . A 10 DT H7 . 17746 1
75 . 1 1 11 11 DG H1' H 1 6.106 0.005 . . . . . A 11 DG H1' . 17746 1
76 . 1 1 11 11 DG H2'' H 1 2.748 0.005 . . . . . A 11 DG H2'' . 17746 1
77 . 1 1 11 11 DG H3' H 1 5.038 0.005 . . . . . A 11 DG H3' . 17746 1
78 . 1 1 11 11 DG H4' H 1 4.440 0.005 . . . . . A 11 DG H4' . 17746 1
79 . 1 1 11 11 DG H8 H 1 8.008 0.005 . 1 . . . A 11 DG H8 . 17746 1
80 . 1 1 12 12 DT H1' H 1 6.284 0.005 . . . . . A 12 DT H1' . 17746 1
81 . 1 1 12 12 DT H2' H 1 2.291 0.005 . . . . . A 12 DT H2' . 17746 1
82 . 1 1 12 12 DT H3' H 1 4.580 0.005 . . . . . A 12 DT H3' . 17746 1
83 . 1 1 12 12 DT H4' H 1 4.127 0.005 . . . . . A 12 DT H4' . 17746 1
84 . 1 1 12 12 DT H6 H 1 7.468 0.005 . 1 . . . A 12 DT H6 . 17746 1
85 . 1 1 12 12 DT H71 H 1 1.672 0.005 . . . . . A 12 DT H7 . 17746 1
86 . 1 1 12 12 DT H72 H 1 1.672 0.005 . . . . . A 12 DT H7 . 17746 1
87 . 1 1 12 12 DT H73 H 1 1.672 0.005 . . . . . A 12 DT H7 . 17746 1
88 . 1 1 13 13 DA H1' H 1 6.205 0.005 . . . . . A 13 A H1' . 17746 1
89 . 1 1 13 13 DA H2' H 1 2.616 0.005 . . . . . A 13 A H2' . 17746 1
90 . 1 1 13 13 DA H2'' H 1 2.777 0.005 . 2 . . . A 13 A H2'' . 17746 1
91 . 1 1 13 13 DA H3' H 1 4.854 0.005 . . . . . A 13 A H3' . 17746 1
92 . 1 1 13 13 DA H4' H 1 4.264 0.005 . . . . . A 13 A H4' . 17746 1
93 . 1 1 13 13 DA H8 H 1 8.212 0.005 . 1 . . . A 13 A H8 . 17746 1
94 . 2 2 2 2 DC H1' H 1 5.168 0.005 . . . . . B 14 DC H1' . 17746 1
95 . 2 2 2 2 DC H2' H 1 2.018 0.005 . . . . . B 14 DC H2' . 17746 1
96 . 2 2 2 2 DC H2'' H 1 2.247 0.005 . 2 . . . B 14 DC H2'' . 17746 1
97 . 2 2 2 2 DC H3' H 1 4.808 0.005 . . . . . B 14 DC H3' . 17746 1
98 . 2 2 2 2 DC H5 H 1 5.522 0.005 . 1 . . . B 14 DC H5 . 17746 1
99 . 2 2 2 2 DC H6 H 1 7.430 0.005 . 1 . . . B 14 DC H6 . 17746 1
100 . 2 2 3 3 DA H1' H 1 5.797 0.005 . . . . . B 15 DA H1' . 17746 1
101 . 2 2 3 3 DA H2' H 1 2.768 0.005 . . . . . B 15 DA H2' . 17746 1
102 . 2 2 3 3 DA H2'' H 1 2.871 0.005 . 2 . . . B 15 DA H2'' . 17746 1
103 . 2 2 3 3 DA H3' H 1 5.071 0.005 . . . . . B 15 DA H3' . 17746 1
104 . 2 2 3 3 DA H4' H 1 4.396 0.005 . . . . . B 15 DA H4' . 17746 1
105 . 2 2 3 3 DA H8 H 1 8.232 0.005 . 1 . . . B 15 DA H8 . 17746 1
106 . 2 2 4 4 DA H1' H 1 5.922 0.005 . . . . . B 16 DA H1' . 17746 1
107 . 2 2 4 4 DA H2' H 1 2.685 0.005 . . . . . B 16 DA H2' . 17746 1
108 . 2 2 4 4 DA H2'' H 1 2.892 0.005 . 2 . . . B 16 DA H2'' . 17746 1
109 . 2 2 4 4 DA H3' H 1 5.093 0.005 . . . . . B 16 DA H3' . 17746 1
110 . 2 2 4 4 DA H4' H 1 4.479 0.005 . . . . . B 16 DA H4' . 17746 1
111 . 2 2 4 4 DA H8 H 1 8.145 0.005 . 1 . . . B 16 DA H8 . 17746 1
112 . 2 2 5 5 DA H1' H 1 6.092 0.005 . . . . . B 17 DA H1' . 17746 1
113 . 2 2 5 5 DA H2 H 1 7.576 0.005 . 1 . . . B 17 DA H2 . 17746 1
114 . 2 2 5 5 DA H2' H 1 2.603 0.005 . . . . . B 17 DA H2' . 17746 1
115 . 2 2 5 5 DA H2'' H 1 2.874 0.005 . 2 . . . B 17 DA H2'' . 17746 1
116 . 2 2 5 5 DA H3' H 1 5.017 0.005 . . . . . B 17 DA H3' . 17746 1
117 . 2 2 5 5 DA H4' H 1 4.482 0.005 . . . . . B 17 DA H4' . 17746 1
118 . 2 2 5 5 DA H8 H 1 8.074 0.005 . 1 . . . B 17 DA H8 . 17746 1
119 . 2 2 6 6 DC H1' H 1 5.661 0.005 . . . . . B 18 DC H1' . 17746 1
120 . 2 2 6 6 DC H2' H 1 1.994 0.005 . . . . . B 18 DC H2' . 17746 1
121 . 2 2 6 6 DC H2'' H 1 2.408 0.005 . 2 . . . B 18 DC H2'' . 17746 1
122 . 2 2 6 6 DC H5 H 1 5.181 0.005 . 1 . . . B 18 DC H5 . 17746 1
123 . 2 2 6 6 DC H6 H 1 7.174 0.005 . 1 . . . B 18 DC H6 . 17746 1
124 . 2 2 7 7 DA H1' H 1 6.119 0.005 . . . . . B 19 DA H1' . 17746 1
125 . 2 2 7 7 DA H2' H 1 2.456 0.005 . . . . . B 19 DA H2' . 17746 1
126 . 2 2 7 7 DA H2'' H 1 2.809 0.005 . 2 . . . B 19 DA H2'' . 17746 1
127 . 2 2 7 7 DA H3' H 1 4.981 0.005 . . . . . B 19 DA H3' . 17746 1
128 . 2 2 7 7 DA H4' H 1 4.319 0.005 . . . . . B 19 DA H4' . 17746 1
129 . 2 2 7 7 DA H8 H 1 7.969 0.005 . 1 . . . B 19 DA H8 . 17746 1
130 . 2 2 8 8 DC H1' H 1 5.399 0.005 . . . . . B 20 DC H1' . 17746 1
131 . 2 2 8 8 DC H2' H 1 1.993 0.005 . . . . . B 20 DC H2' . 17746 1
132 . 2 2 8 8 DC H2'' H 1 2.320 0.005 . 2 . . . B 20 DC H2'' . 17746 1
133 . 2 2 8 8 DC H3' H 1 4.809 0.005 . . . . . B 20 DC H3' . 17746 1
134 . 2 2 8 8 DC H5 H 1 5.149 0.005 . 1 . . . B 20 DC H5 . 17746 1
135 . 2 2 8 8 DC H6 H 1 7.178 0.005 . 1 . . . B 20 DC H6 . 17746 1
136 . 2 2 9 9 DG H1' H 1 5.834 0.005 . . . . . B 21 DG H1' . 17746 1
137 . 2 2 9 9 DG H2' H 1 2.520 0.005 . . . . . B 21 DG H2' . 17746 1
138 . 2 2 9 9 DG H2'' H 1 2.704 0.005 . 2 . . . B 21 DG H2'' . 17746 1
139 . 2 2 9 9 DG H3' H 1 4.925 0.005 . . . . . B 21 DG H3' . 17746 1
140 . 2 2 9 9 DG H4' H 1 4.296 0.005 . . . . . B 21 DG H4' . 17746 1
141 . 2 2 9 9 DG H8 H 1 7.808 0.005 . 1 . . . B 21 DG H8 . 17746 1
142 . 2 2 10 10 DC H1' H 1 5.614 0.005 . . . . . B 22 DC H1' . 17746 1
143 . 2 2 10 10 DC H2' H 1 2.057 0.005 . . . . . B 22 DC H2' . 17746 1
144 . 2 2 10 10 DC H2'' H 1 2.394 0.005 . 2 . . . B 22 DC H2'' . 17746 1
145 . 2 2 10 10 DC H3' H 1 4.848 0.005 . . . . . B 22 DC H3' . 17746 1
146 . 2 2 10 10 DC H5 H 1 5.365 0.005 . 1 . . . B 22 DC H5 . 17746 1
147 . 2 2 10 10 DC H6 H 1 7.335 0.005 . 1 . . . B 22 DC H6 . 17746 1
148 . 2 2 11 11 DA H1' H 1 6.283 0.005 . . . . . B 23 DA H1' . 17746 1
149 . 2 2 11 11 DA H2' H 1 2.692 0.005 . . . . . B 23 DA H2' . 17746 1
150 . 2 2 11 11 DA H2'' H 1 2.895 0.005 . 2 . . . B 23 DA H2'' . 17746 1
151 . 2 2 11 11 DA H3' H 1 5.027 0.005 . . . . . B 23 DA H3' . 17746 1
152 . 2 2 11 11 DA H4' H 1 4.413 0.005 . . . . . B 23 DA H4' . 17746 1
153 . 2 2 11 11 DA H8 H 1 8.268 0.005 . 1 . . . B 23 DA H8 . 17746 1
154 . 2 2 12 12 DC H1' H 1 6.136 0.005 . . . . . B 24 DC H1' . 17746 1
155 . 2 2 12 12 DC H2' H 1 2.133 0.005 . . . . . B 24 DC H2' . 17746 1
156 . 2 2 12 12 DC H2'' H 1 2.169 0.005 . 2 . . . B 24 DC H2'' . 17746 1
157 . 2 2 12 12 DC H3' H 1 4.505 0.005 . . . . . B 24 DC H3' . 17746 1
158 . 2 2 12 12 DC H4' H 1 4.054 0.005 . . . . . B 24 DC H4' . 17746 1
159 . 2 2 12 12 DC H5 H 1 5.445 0.005 . 1 . . . B 24 DC H5 . 17746 1
160 . 2 2 12 12 DC H6 H 1 7.419 0.005 . 1 . . . B 24 DC H6 . 17746 1
stop_
save_