###################################
# 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 34071
_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 $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' . . . 34071 1
2 '2D DQF-COSY' . . . 34071 1
3 '2D 1H-1H TOCSY' . . . 34071 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 12.120 0.027 . . . . . A 1 DG H1 . 34071 1
2 . 1 1 1 1 DG H1' H 1 6.090 0.017 . . . . . A 1 DG H1' . 34071 1
3 . 1 1 1 1 DG H2' H 1 3.000 0.010 . . . . . A 1 DG H2' . 34071 1
4 . 1 1 1 1 DG H2'' H 1 3.000 0.000 . . . . . A 1 DG H2'' . 34071 1
5 . 1 1 1 1 DG H3' H 1 5.000 0.002 . . . . . A 1 DG H3' . 34071 1
6 . 1 1 1 1 DG H4' H 1 4.420 0.010 . . . . . A 1 DG H4' . 34071 1
7 . 1 1 1 1 DG H5' H 1 4.290 0.000 . . . . . A 1 DG H5' . 34071 1
8 . 1 1 1 1 DG H5'' H 1 4.290 0.000 . . . . . A 1 DG H5'' . 34071 1
9 . 1 1 1 1 DG H8 H 1 7.410 0.025 . . . . . A 1 DG H8 . 34071 1
10 . 1 1 2 2 DG H1 H 1 12.210 0.000 . . . . . A 2 DG H1 . 34071 1
11 . 1 1 2 2 DG H1' H 1 6.030 0.017 . . . . . A 2 DG H1' . 34071 1
12 . 1 1 2 2 DG H2' H 1 3.110 0.029 . . . . . A 2 DG H2' . 34071 1
13 . 1 1 2 2 DG H2'' H 1 2.310 0.021 . . . . . A 2 DG H2'' . 34071 1
14 . 1 1 2 2 DG H3' H 1 5.210 0.026 . . . . . A 2 DG H3' . 34071 1
15 . 1 1 2 2 DG H4' H 1 4.420 0.008 . . . . . A 2 DG H4' . 34071 1
16 . 1 1 2 2 DG H5' H 1 4.280 0.000 . . . . . A 2 DG H5' . 34071 1
17 . 1 1 2 2 DG H5'' H 1 4.280 0.000 . . . . . A 2 DG H5'' . 34071 1
18 . 1 1 2 2 DG H8 H 1 8.220 0.025 . . . . . A 2 DG H8 . 34071 1
19 . 1 1 3 3 TAF H1' H 1 6.290 0.017 . . . . . A 3 TAF H1' . 34071 1
20 . 1 1 3 3 TAF H2'' H 1 5.620 0.020 . . . . . A 3 TAF H2'' . 34071 1
21 . 1 1 3 3 TAF H3 H 1 11.390 0.000 . . . . . A 3 TAF H3 . 34071 1
22 . 1 1 3 3 TAF H3' H 1 4.970 0.019 . . . . . A 3 TAF H3' . 34071 1
23 . 1 1 3 3 TAF H4' H 1 4.270 0.020 . . . . . A 3 TAF H4' . 34071 1
24 . 1 1 3 3 TAF H6 H 1 8.020 0.014 . . . . . A 3 TAF H6 . 34071 1
25 . 1 1 3 3 TAF H71 H 1 2.030 0.021 . . . . . A 3 TAF H71 . 34071 1
26 . 1 1 3 3 TAF H72 H 1 2.030 0.021 . . . . . A 3 TAF H72 . 34071 1
27 . 1 1 3 3 TAF H73 H 1 2.030 0.021 . . . . . A 3 TAF H73 . 34071 1
28 . 1 1 4 4 DT H1' H 1 5.990 0.033 . . . . . A 4 DT H1' . 34071 1
29 . 1 1 4 4 DT H2' H 1 1.930 0.015 . . . . . A 4 DT H2' . 34071 1
30 . 1 1 4 4 DT H2'' H 1 2.660 0.021 . . . . . A 4 DT H2'' . 34071 1
31 . 1 1 4 4 DT H3 H 1 11.330 0.025 . . . . . A 4 DT H3 . 34071 1
32 . 1 1 4 4 DT H3' H 1 4.880 0.009 . . . . . A 4 DT H3' . 34071 1
33 . 1 1 4 4 DT H4' H 1 4.295 0.003 . . . . . A 4 DT H4' . 34071 1
34 . 1 1 4 4 DT H5' H 1 3.960 0.020 . . . . . A 4 DT H5' . 34071 1
35 . 1 1 4 4 DT H5'' H 1 3.960 0.000 . . . . . A 4 DT H5'' . 34071 1
36 . 1 1 4 4 DT H6 H 1 6.980 0.093 . . . . . A 4 DT H6 . 34071 1
37 . 1 1 4 4 DT H71 H 1 0.870 0.017 . . . . . A 4 DT H71 . 34071 1
38 . 1 1 4 4 DT H72 H 1 0.870 0.017 . . . . . A 4 DT H72 . 34071 1
39 . 1 1 4 4 DT H73 H 1 0.870 0.017 . . . . . A 4 DT H73 . 34071 1
40 . 1 1 5 5 DG H1 H 1 12.270 0.019 . . . . . A 5 DG H1 . 34071 1
41 . 1 1 5 5 DG H1' H 1 6.045 0.006 . . . . . A 5 DG H1' . 34071 1
42 . 1 1 5 5 DG H2' H 1 3.340 0.011 . . . . . A 5 DG H2' . 34071 1
43 . 1 1 5 5 DG H2'' H 1 2.920 0.006 . . . . . A 5 DG H2'' . 34071 1
44 . 1 1 5 5 DG H3' H 1 4.872 0.006 . . . . . A 5 DG H3' . 34071 1
45 . 1 1 5 5 DG H4' H 1 4.420 0.004 . . . . . A 5 DG H4' . 34071 1
46 . 1 1 5 5 DG H5' H 1 4.290 0.007 . . . . . A 5 DG H5' . 34071 1
47 . 1 1 5 5 DG H5'' H 1 4.290 0.015 . . . . . A 5 DG H5'' . 34071 1
48 . 1 1 5 5 DG H8 H 1 7.460 0.011 . . . . . A 5 DG H8 . 34071 1
49 . 1 1 6 6 DG H1 H 1 12.210 0.019 . . . . . A 6 DG H1 . 34071 1
50 . 1 1 6 6 DG H1' H 1 5.950 0.019 . . . . . A 6 DG H1' . 34071 1
51 . 1 1 6 6 DG H2' H 1 2.800 0.015 . . . . . A 6 DG H2' . 34071 1
52 . 1 1 6 6 DG H2'' H 1 2.610 0.004 . . . . . A 6 DG H2'' . 34071 1
53 . 1 1 6 6 DG H3' H 1 5.130 0.006 . . . . . A 6 DG H3' . 34071 1
54 . 1 1 6 6 DG H4' H 1 4.440 0.015 . . . . . A 6 DG H4' . 34071 1
55 . 1 1 6 6 DG H5' H 1 4.290 0.005 . . . . . A 6 DG H5' . 34071 1
56 . 1 1 6 6 DG H5'' H 1 4.240 0.002 . . . . . A 6 DG H5'' . 34071 1
57 . 1 1 6 6 DG H8 H 1 7.690 0.011 . . . . . A 6 DG H8 . 34071 1
58 . 1 1 7 7 DT H1' H 1 6.490 0.010 . . . . . A 7 DT H1' . 34071 1
59 . 1 1 7 7 DT H2' H 1 2.515 0.005 . . . . . A 7 DT H2' . 34071 1
60 . 1 1 7 7 DT H2'' H 1 2.623 0.011 . . . . . A 7 DT H2'' . 34071 1
61 . 1 1 7 7 DT H3 H 1 11.330 0.000 . . . . . A 7 DT H3 . 34071 1
62 . 1 1 7 7 DT H3' H 1 4.862 0.003 . . . . . A 7 DT H3' . 34071 1
63 . 1 1 7 7 DT H4' H 1 4.444 0.014 . . . . . A 7 DT H4' . 34071 1
64 . 1 1 7 7 DT H5' H 1 4.300 0.024 . . . . . A 7 DT H5' . 34071 1
65 . 1 1 7 7 DT H5'' H 1 4.240 0.002 . . . . . A 7 DT H5'' . 34071 1
66 . 1 1 7 7 DT H6 H 1 7.934 0.006 . . . . . A 7 DT H6 . 34071 1
67 . 1 1 7 7 DT H71 H 1 1.980 0.006 . . . . . A 7 DT H71 . 34071 1
68 . 1 1 7 7 DT H72 H 1 1.980 0.006 . . . . . A 7 DT H72 . 34071 1
69 . 1 1 7 7 DT H73 H 1 1.980 0.006 . . . . . A 7 DT H73 . 34071 1
70 . 1 1 8 8 DG H1 H 1 10.714 0.000 . . . . . A 8 DG H1 . 34071 1
71 . 1 1 8 8 DG H1' H 1 5.775 0.020 . . . . . A 8 DG H1' . 34071 1
72 . 1 1 8 8 DG H2' H 1 1.995 0.027 . . . . . A 8 DG H2' . 34071 1
73 . 1 1 8 8 DG H2'' H 1 2.329 0.009 . . . . . A 8 DG H2'' . 34071 1
74 . 1 1 8 8 DG H3' H 1 4.786 0.006 . . . . . A 8 DG H3' . 34071 1
75 . 1 1 8 8 DG H4' H 1 3.988 0.015 . . . . . A 8 DG H4' . 34071 1
76 . 1 1 8 8 DG H5' H 1 4.120 0.009 . . . . . A 8 DG H5' . 34071 1
77 . 1 1 8 8 DG H5'' H 1 4.120 0.013 . . . . . A 8 DG H5'' . 34071 1
78 . 1 1 8 8 DG H8 H 1 7.479 0.028 . . . . . A 8 DG H8 . 34071 1
79 . 1 1 9 9 DT H1' H 1 5.830 0.017 . . . . . A 9 DT H1' . 34071 1
80 . 1 1 9 9 DT H2' H 1 1.980 0.006 . . . . . A 9 DT H2' . 34071 1
81 . 1 1 9 9 DT H2'' H 1 2.420 0.022 . . . . . A 9 DT H2'' . 34071 1
82 . 1 1 9 9 DT H3 H 1 10.760 0.018 . . . . . A 9 DT H3 . 34071 1
83 . 1 1 9 9 DT H3' H 1 4.640 0.009 . . . . . A 9 DT H3' . 34071 1
84 . 1 1 9 9 DT H4' H 1 3.790 0.015 . . . . . A 9 DT H4' . 34071 1
85 . 1 1 9 9 DT H5' H 1 3.030 0.010 . . . . . A 9 DT H5' . 34071 1
86 . 1 1 9 9 DT H5'' H 1 3.570 0.028 . . . . . A 9 DT H5'' . 34071 1
87 . 1 1 9 9 DT H6 H 1 7.271 0.008 . . . . . A 9 DT H6 . 34071 1
88 . 1 1 9 9 DT H71 H 1 1.810 0.016 . . . . . A 9 DT H71 . 34071 1
89 . 1 1 9 9 DT H72 H 1 1.810 0.016 . . . . . A 9 DT H72 . 34071 1
90 . 1 1 9 9 DT H73 H 1 1.810 0.016 . . . . . A 9 DT H73 . 34071 1
91 . 1 1 10 10 DG H1 H 1 11.950 0.007 . . . . . A 10 DG H1 . 34071 1
92 . 1 1 10 10 DG H1' H 1 6.070 0.010 . . . . . A 10 DG H1' . 34071 1
93 . 1 1 10 10 DG H2' H 1 3.740 0.015 . . . . . A 10 DG H2' . 34071 1
94 . 1 1 10 10 DG H2'' H 1 2.930 0.009 . . . . . A 10 DG H2'' . 34071 1
95 . 1 1 10 10 DG H3' H 1 4.928 0.005 . . . . . A 10 DG H3' . 34071 1
96 . 1 1 10 10 DG H4' H 1 4.340 0.011 . . . . . A 10 DG H4' . 34071 1
97 . 1 1 10 10 DG H8 H 1 7.451 0.020 . . . . . A 10 DG H8 . 34071 1
98 . 1 1 11 11 DG H1 H 1 12.110 0.014 . . . . . A 11 DG H1 . 34071 1
99 . 1 1 11 11 DG H1' H 1 6.030 0.010 . . . . . A 11 DG H1' . 34071 1
100 . 1 1 11 11 DG H2' H 1 2.990 0.010 . . . . . A 11 DG H2' . 34071 1
101 . 1 1 11 11 DG H2'' H 1 2.320 0.010 . . . . . A 11 DG H2'' . 34071 1
102 . 1 1 11 11 DG H3' H 1 5.150 0.008 . . . . . A 11 DG H3' . 34071 1
103 . 1 1 11 11 DG H4' H 1 4.410 0.006 . . . . . A 11 DG H4' . 34071 1
104 . 1 1 11 11 DG H5' H 1 4.330 0.010 . . . . . A 11 DG H5' . 34071 1
105 . 1 1 11 11 DG H5'' H 1 4.330 0.004 . . . . . A 11 DG H5'' . 34071 1
106 . 1 1 11 11 DG H8 H 1 8.220 0.012 . . . . . A 11 DG H8 . 34071 1
107 . 1 1 12 12 DT H1' H 1 6.170 0.029 . . . . . A 12 DT H1' . 34071 1
108 . 1 1 12 12 DT H2' H 1 2.240 0.013 . . . . . A 12 DT H2' . 34071 1
109 . 1 1 12 12 DT H2'' H 1 2.610 0.012 . . . . . A 12 DT H2'' . 34071 1
110 . 1 1 12 12 DT H3 H 1 11.390 0.002 . . . . . A 12 DT H3 . 34071 1
111 . 1 1 12 12 DT H3' H 1 4.920 0.044 . . . . . A 12 DT H3' . 34071 1
112 . 1 1 12 12 DT H4' H 1 4.260 0.025 . . . . . A 12 DT H4' . 34071 1
113 . 1 1 12 12 DT H6 H 1 7.920 0.012 . . . . . A 12 DT H6 . 34071 1
114 . 1 1 12 12 DT H71 H 1 1.990 0.011 . . . . . A 12 DT H71 . 34071 1
115 . 1 1 12 12 DT H72 H 1 1.990 0.011 . . . . . A 12 DT H72 . 34071 1
116 . 1 1 12 12 DT H73 H 1 1.990 0.011 . . . . . A 12 DT H73 . 34071 1
117 . 1 1 13 13 DT H1' H 1 6.100 0.008 . . . . . A 13 DT H1' . 34071 1
118 . 1 1 13 13 DT H2' H 1 2.060 0.010 . . . . . A 13 DT H2' . 34071 1
119 . 1 1 13 13 DT H2'' H 1 2.741 0.007 . . . . . A 13 DT H2'' . 34071 1
120 . 1 1 13 13 DT H3 H 1 11.331 0.017 . . . . . A 13 DT H3 . 34071 1
121 . 1 1 13 13 DT H3' H 1 4.920 0.007 . . . . . A 13 DT H3' . 34071 1
122 . 1 1 13 13 DT H4' H 1 4.290 0.007 . . . . . A 13 DT H4' . 34071 1
123 . 1 1 13 13 DT H5' H 1 3.932 0.002 . . . . . A 13 DT H5' . 34071 1
124 . 1 1 13 13 DT H5'' H 1 4.240 0.010 . . . . . A 13 DT H5'' . 34071 1
125 . 1 1 13 13 DT H6 H 1 7.200 0.050 . . . . . A 13 DT H6 . 34071 1
126 . 1 1 13 13 DT H71 H 1 0.940 0.019 . . . . . A 13 DT H71 . 34071 1
127 . 1 1 13 13 DT H72 H 1 0.940 0.019 . . . . . A 13 DT H72 . 34071 1
128 . 1 1 13 13 DT H73 H 1 0.940 0.019 . . . . . A 13 DT H73 . 34071 1
129 . 1 1 14 14 DG H1 H 1 12.181 0.006 . . . . . A 14 DG H1 . 34071 1
130 . 1 1 14 14 DG H1' H 1 6.090 0.020 . . . . . A 14 DG H1' . 34071 1
131 . 1 1 14 14 DG H2' H 1 3.500 0.007 . . . . . A 14 DG H2' . 34071 1
132 . 1 1 14 14 DG H2'' H 1 2.980 0.012 . . . . . A 14 DG H2'' . 34071 1
133 . 1 1 14 14 DG H3' H 1 4.930 0.003 . . . . . A 14 DG H3' . 34071 1
134 . 1 1 14 14 DG H4' H 1 4.440 0.018 . . . . . A 14 DG H4' . 34071 1
135 . 1 1 14 14 DG H5' H 1 4.280 0.000 . . . . . A 14 DG H5' . 34071 1
136 . 1 1 14 14 DG H5'' H 1 4.280 0.000 . . . . . A 14 DG H5'' . 34071 1
137 . 1 1 14 14 DG H8 H 1 7.485 0.005 . . . . . A 14 DG H8 . 34071 1
138 . 1 1 15 15 DG H1 H 1 12.350 0.014 . . . . . A 15 DG H1 . 34071 1
139 . 1 1 15 15 DG H1' H 1 6.160 0.018 . . . . . A 15 DG H1' . 34071 1
140 . 1 1 15 15 DG H2' H 1 2.700 0.000 . . . . . A 15 DG H2' . 34071 1
141 . 1 1 15 15 DG H2'' H 1 2.450 0.017 . . . . . A 15 DG H2'' . 34071 1
142 . 1 1 15 15 DG H3' H 1 4.810 0.004 . . . . . A 15 DG H3' . 34071 1
143 . 1 1 15 15 DG H4' H 1 4.280 0.012 . . . . . A 15 DG H4' . 34071 1
144 . 1 1 15 15 DG H5' H 1 4.190 0.000 . . . . . A 15 DG H5' . 34071 1
145 . 1 1 15 15 DG H5'' H 1 4.190 0.000 . . . . . A 15 DG H5'' . 34071 1
146 . 1 1 15 15 DG H8 H 1 8.090 0.009 . . . . . A 15 DG H8 . 34071 1
stop_
save_