###################################
# 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 30473
_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 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.005
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err 0.005
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method SPARKY
_Assigned_chem_shift_list.Details '3 percent were higher than 0.005 at less than or equal to 0.011 ppm'
_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 DQF-COSY' . . . 30473 1
2 '2D 1H-1H TOCSY' . . . 30473 1
3 '2D 1H-13C HSQC' . . . 30473 1
4 '2D 1H-1H NOESY' . . . 30473 1
5 '2D 1H-1H NOESY' . . . 30473 1
6 '2D ECOSY' . . . 30473 1
7 '2D PhCOSY' . . . 30473 1
8 '2D PhTOCSY' . . . 30473 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 DG H1' H 1 5.673 0.001 . 1 . . . . A 1 DG H1' . 30473 1
2 . 1 1 1 1 DG H2' H 1 2.476 0.000 . . . . . . A 1 DG H2' . 30473 1
3 . 1 1 1 1 DG H2'' H 1 2.635 0.003 . . . . . . A 1 DG H2'' . 30473 1
4 . 1 1 1 1 DG H3' H 1 4.812 0.002 . 1 . . . . A 1 DG H3' . 30473 1
5 . 1 1 1 1 DG H8 H 1 7.857 0.001 . 1 . . . . A 1 DG H8 . 30473 1
6 . 1 1 1 1 DG C1' C 13 85.527 0.000 . 1 . . . . A 1 DG C1' . 30473 1
7 . 1 1 1 1 DG C3' C 13 79.246 0.000 . 1 . . . . A 1 DG C3' . 30473 1
8 . 1 1 1 1 DG C8 C 13 139.091 0.000 . 1 . . . . A 1 DG C8 . 30473 1
9 . 1 1 2 2 DG H1 H 1 13.122 0.000 . 1 . . . . A 2 DG H1 . 30473 1
10 . 1 1 2 2 DG H1' H 1 5.667 0.002 . 1 . . . . A 2 DG H1' . 30473 1
11 . 1 1 2 2 DG H2'' H 1 2.785 0.004 . . . . . . A 2 DG H2'' . 30473 1
12 . 1 1 2 2 DG H3' H 1 5.002 0.002 . 1 . . . . A 2 DG H3' . 30473 1
13 . 1 1 2 2 DG H4' H 1 4.375 0.001 . 1 . . . . A 2 DG H4' . 30473 1
14 . 1 1 2 2 DG H5'' H 1 4.070 0.002 . . . . . . A 2 DG H5'' . 30473 1
15 . 1 1 2 2 DG H8 H 1 7.822 0.001 . 1 . . . . A 2 DG H8 . 30473 1
16 . 1 1 2 2 DG C1' C 13 84.467 0.000 . 1 . . . . A 2 DG C1' . 30473 1
17 . 1 1 2 2 DG C3' C 13 79.180 0.000 . 1 . . . . A 2 DG C3' . 30473 1
18 . 1 1 2 2 DG C8 C 13 138.085 0.000 . 1 . . . . A 2 DG C8 . 30473 1
19 . 1 1 2 2 DG P P 31 -3.849 0.000 . 1 . . . . A 2 DG P . 30473 1
20 . 1 1 3 3 DG H1 H 1 13.130 0.006 . 1 . . . . A 3 DG H1 . 30473 1
21 . 1 1 3 3 DG H1' H 1 5.793 0.002 . 1 . . . . A 3 DG H1' . 30473 1
22 . 1 1 3 3 DG H2' H 1 2.640 0.002 . . . . . . A 3 DG H2' . 30473 1
23 . 1 1 3 3 DG H2'' H 1 2.784 0.002 . . . . . . A 3 DG H2'' . 30473 1
24 . 1 1 3 3 DG H3' H 1 5.018 0.005 . 1 . . . . A 3 DG H3' . 30473 1
25 . 1 1 3 3 DG H4' H 1 4.420 0.001 . 1 . . . . A 3 DG H4' . 30473 1
26 . 1 1 3 3 DG H5' H 1 4.206 0.004 . . . . . . A 3 DG H5' . 30473 1
27 . 1 1 3 3 DG H8 H 1 7.730 0.002 . 1 . . . . A 3 DG H8 . 30473 1
28 . 1 1 3 3 DG C1' C 13 84.364 0.000 . 1 . . . . A 3 DG C1' . 30473 1
29 . 1 1 3 3 DG C3' C 13 79.179 0.000 . 1 . . . . A 3 DG C3' . 30473 1
30 . 1 1 3 3 DG C8 C 13 137.803 0.000 . 1 . . . . A 3 DG C8 . 30473 1
31 . 1 1 4 4 DG H1 H 1 13.007 0.010 . 1 . . . . A 4 DG H1 . 30473 1
32 . 1 1 4 4 DG H1' H 1 5.921 0.004 . 1 . . . . A 4 DG H1' . 30473 1
33 . 1 1 4 4 DG H2' H 1 2.554 0.001 . . . . . . A 4 DG H2' . 30473 1
34 . 1 1 4 4 DG H2'' H 1 2.745 0.005 . . . . . . A 4 DG H2'' . 30473 1
35 . 1 1 4 4 DG H3' H 1 4.995 0.001 . 1 . . . . A 4 DG H3' . 30473 1
36 . 1 1 4 4 DG H4' H 1 4.424 0.003 . 1 . . . . A 4 DG H4' . 30473 1
37 . 1 1 4 4 DG H8 H 1 7.724 0.002 . 1 . . . . A 4 DG H8 . 30473 1
38 . 1 1 4 4 DG C1' C 13 84.629 0.000 . 1 . . . . A 4 DG C1' . 30473 1
39 . 1 1 4 4 DG C3' C 13 79.299 0.000 . 1 . . . . A 4 DG C3' . 30473 1
40 . 1 1 4 4 DG C8 C 13 137.511 0.000 . 1 . . . . A 4 DG C8 . 30473 1
41 . 1 1 4 4 DG P P 31 -4.091 0.000 . 1 . . . . A 4 DG P . 30473 1
42 . 1 1 5 5 DC H1' H 1 5.705 0.002 . 1 . . . . A 5 DC H1' . 30473 1
43 . 1 1 5 5 DC H2' H 1 1.879 0.001 . . . . . . A 5 DC H2' . 30473 1
44 . 1 1 5 5 DC H2'' H 1 2.315 0.002 . . . . . . A 5 DC H2'' . 30473 1
45 . 1 1 5 5 DC H3' H 1 4.846 0.001 . 1 . . . . A 5 DC H3' . 30473 1
46 . 1 1 5 5 DC H4' H 1 4.146 0.002 . 1 . . . . A 5 DC H4' . 30473 1
47 . 1 1 5 5 DC H5 H 1 5.275 0.007 . 1 . . . . A 5 DC H5 . 30473 1
48 . 1 1 5 5 DC H5' H 1 4.218 0.003 . . . . . . A 5 DC H5' . 30473 1
49 . 1 1 5 5 DC H5'' H 1 4.141 0.003 . . . . . . A 5 DC H5'' . 30473 1
50 . 1 1 5 5 DC H6 H 1 7.248 0.002 . 1 . . . . A 5 DC H6 . 30473 1
51 . 1 1 5 5 DC H41 H 1 8.389 0.001 . . . . . . A 5 DC H41 . 30473 1
52 . 1 1 5 5 DC H42 H 1 6.373 0.001 . . . . . . A 5 DC H42 . 30473 1
53 . 1 1 5 5 DC C1' C 13 86.351 0.000 . 1 . . . . A 5 DC C1' . 30473 1
54 . 1 1 5 5 DC C3' C 13 76.984 0.000 . 1 . . . . A 5 DC C3' . 30473 1
55 . 1 1 5 5 DC C5 C 13 98.476 0.000 . 1 . . . . A 5 DC C5 . 30473 1
56 . 1 1 5 5 DC C6 C 13 142.388 0.000 . 1 . . . . A 5 DC C6 . 30473 1
57 . 1 1 6 6 DG H1 H 1 13.170 0.001 . 1 . . . . A 6 DG H1 . 30473 1
58 . 1 1 6 6 DG H1' H 1 5.504 0.001 . 1 . . . . A 6 DG H1' . 30473 1
59 . 1 1 6 6 DG H2' H 1 2.641 0.001 . . . . . . A 6 DG H2' . 30473 1
60 . 1 1 6 6 DG H2'' H 1 2.704 0.002 . . . . . . A 6 DG H2'' . 30473 1
61 . 1 1 6 6 DG H3' H 1 4.969 0.001 . 1 . . . . A 6 DG H3' . 30473 1
62 . 1 1 6 6 DG H4' H 1 4.311 0.001 . 1 . . . . A 6 DG H4' . 30473 1
63 . 1 1 6 6 DG H5' H 1 4.148 0.002 . . . . . . A 6 DG H5' . 30473 1
64 . 1 1 6 6 DG H5'' H 1 4.082 0.005 . . . . . . A 6 DG H5'' . 30473 1
65 . 1 1 6 6 DG H8 H 1 7.834 0.002 . 1 . . . . A 6 DG H8 . 30473 1
66 . 1 1 6 6 DG C1' C 13 84.247 0.000 . 1 . . . . A 6 DG C1' . 30473 1
67 . 1 1 6 6 DG C3' C 13 79.346 0.000 . 1 . . . . A 6 DG C3' . 30473 1
68 . 1 1 6 6 DG C4' C 13 87.259 0.000 . 1 . . . . A 6 DG C4' . 30473 1
69 . 1 1 6 6 DG C8 C 13 138.382 0.000 . 1 . . . . A 6 DG C8 . 30473 1
70 . 1 1 6 6 DG P P 31 -3.885 0.000 . 1 . . . . A 6 DG P . 30473 1
71 . 1 1 7 7 DG H1 H 1 13.170 0.002 . 1 . . . . A 7 DG H1 . 30473 1
72 . 1 1 7 7 DG H1' H 1 5.639 0.003 . 1 . . . . A 7 DG H1' . 30473 1
73 . 1 1 7 7 DG H2' H 1 2.566 0.003 . . . . . . A 7 DG H2' . 30473 1
74 . 1 1 7 7 DG H2'' H 1 2.697 0.001 . . . . . . A 7 DG H2'' . 30473 1
75 . 1 1 7 7 DG H3' H 1 4.983 0.005 . 1 . . . . A 7 DG H3' . 30473 1
76 . 1 1 7 7 DG H4' H 1 4.367 0.003 . 1 . . . . A 7 DG H4' . 30473 1
77 . 1 1 7 7 DG H5' H 1 4.142 0.000 . . . . . . A 7 DG H5' . 30473 1
78 . 1 1 7 7 DG H5'' H 1 4.102 0.006 . . . . . . A 7 DG H5'' . 30473 1
79 . 1 1 7 7 DG H8 H 1 7.711 0.003 . 1 . . . . A 7 DG H8 . 30473 1
80 . 1 1 7 7 DG C1' C 13 84.347 0.000 . 1 . . . . A 7 DG C1' . 30473 1
81 . 1 1 7 7 DG C3' C 13 79.126 0.000 . 1 . . . . A 7 DG C3' . 30473 1
82 . 1 1 7 7 DG C8 C 13 137.892 0.000 . 1 . . . . A 7 DG C8 . 30473 1
83 . 1 1 8 8 DG H1 H 1 13.172 0.000 . 1 . . . . A 8 DG H1 . 30473 1
84 . 1 1 8 8 DG H1' H 1 5.759 0.001 . 1 . . . . A 8 DG H1' . 30473 1
85 . 1 1 8 8 DG H2' H 1 2.567 0.002 . . . . . . A 8 DG H2' . 30473 1
86 . 1 1 8 8 DG H2'' H 1 2.730 0.002 . . . . . . A 8 DG H2'' . 30473 1
87 . 1 1 8 8 DG H3' H 1 4.971 0.004 . 1 . . . . A 8 DG H3' . 30473 1
88 . 1 1 8 8 DG H4' H 1 4.376 0.001 . 1 . . . . A 8 DG H4' . 30473 1
89 . 1 1 8 8 DG H5'' H 1 4.150 0.002 . . . . . . A 8 DG H5'' . 30473 1
90 . 1 1 8 8 DG H8 H 1 7.696 0.003 . 1 . . . . A 8 DG H8 . 30473 1
91 . 1 1 8 8 DG C1' C 13 84.340 0.000 . 1 . . . . A 8 DG C1' . 30473 1
92 . 1 1 8 8 DG C3' C 13 78.841 0.000 . 1 . . . . A 8 DG C3' . 30473 1
93 . 1 1 8 8 DG C8 C 13 137.856 0.000 . 1 . . . . A 8 DG C8 . 30473 1
94 . 1 1 9 9 DG H1' H 1 6.154 0.001 . 1 . . . . A 9 DG H1' . 30473 1
95 . 1 1 9 9 DG H2' H 1 2.359 0.002 . . . . . . A 9 DG H2' . 30473 1
96 . 1 1 9 9 DG H2'' H 1 2.481 0.002 . . . . . . A 9 DG H2'' . 30473 1
97 . 1 1 9 9 DG H3' H 1 4.638 0.001 . 1 . . . . A 9 DG H3' . 30473 1
98 . 1 1 9 9 DG H4' H 1 4.212 0.001 . 1 . . . . A 9 DG H4' . 30473 1
99 . 1 1 9 9 DG H5' H 1 4.232 0.003 . . . . . . A 9 DG H5' . 30473 1
100 . 1 1 9 9 DG H5'' H 1 4.128 0.004 . . . . . . A 9 DG H5'' . 30473 1
101 . 1 1 9 9 DG H8 H 1 7.747 0.003 . 1 . . . . A 9 DG H8 . 30473 1
102 . 1 1 9 9 DG C1' C 13 84.855 0.000 . 1 . . . . A 9 DG C1' . 30473 1
103 . 1 1 9 9 DG C3' C 13 72.786 0.000 . 1 . . . . A 9 DG C3' . 30473 1
104 . 1 1 9 9 DG C4' C 13 87.714 0.000 . 1 . . . . A 9 DG C4' . 30473 1
105 . 1 1 9 9 DG C8 C 13 138.602 0.000 . 1 . . . . A 9 DG C8 . 30473 1
106 . 1 1 9 9 DG P P 31 -3.819 0.000 . 1 . . . . A 9 DG P . 30473 1
107 . 2 2 1 1 DC H1' H 1 6.014 0.003 . 1 . . . . B 10 DC H1' . 30473 1
108 . 2 2 1 1 DC H2' H 1 2.195 0.002 . . . . . . B 10 DC H2' . 30473 1
109 . 2 2 1 1 DC H2'' H 1 2.575 0.003 . . . . . . B 10 DC H2'' . 30473 1
110 . 2 2 1 1 DC H3' H 1 4.694 0.002 . 1 . . . . B 10 DC H3' . 30473 1
111 . 2 2 1 1 DC H4' H 1 4.148 0.002 . 1 . . . . B 10 DC H4' . 30473 1
112 . 2 2 1 1 DC H5 H 1 6.011 0.010 . 1 . . . . B 10 DC H5 . 30473 1
113 . 2 2 1 1 DC H5' H 1 3.830 0.004 . . . . . . B 10 DC H5' . 30473 1
114 . 2 2 1 1 DC H5'' H 1 3.789 0.001 . . . . . . B 10 DC H5'' . 30473 1
115 . 2 2 1 1 DC H6 H 1 7.838 0.002 . 1 . . . . B 10 DC H6 . 30473 1
116 . 2 2 1 1 DC H42 H 1 6.876 0.000 . . . . . . B 10 DC H42 . 30473 1
117 . 2 2 1 1 DC C1' C 13 88.202 0.000 . 1 . . . . B 10 DC C1' . 30473 1
118 . 2 2 1 1 DC C3' C 13 77.277 0.000 . 1 . . . . B 10 DC C3' . 30473 1
119 . 2 2 1 1 DC C5 C 13 99.523 0.000 . 1 . . . . B 10 DC C5 . 30473 1
120 . 2 2 1 1 DC C6 C 13 143.155 0.000 . 1 . . . . B 10 DC C6 . 30473 1
121 . 2 2 2 2 DC H1' H 1 6.032 0.004 . 1 . . . . B 11 DC H1' . 30473 1
122 . 2 2 2 2 DC H2' H 1 2.262 0.002 . . . . . . B 11 DC H2' . 30473 1
123 . 2 2 2 2 DC H2'' H 1 2.503 0.002 . . . . . . B 11 DC H2'' . 30473 1
124 . 2 2 2 2 DC H3' H 1 4.880 0.002 . 1 . . . . B 11 DC H3' . 30473 1
125 . 2 2 2 2 DC H4' H 1 4.234 0.001 . 1 . . . . B 11 DC H4' . 30473 1
126 . 2 2 2 2 DC H5 H 1 5.719 0.010 . 1 . . . . B 11 DC H5 . 30473 1
127 . 2 2 2 2 DC H5' H 1 4.234 0.000 . . . . . . B 11 DC H5' . 30473 1
128 . 2 2 2 2 DC H5'' H 1 4.088 0.003 . . . . . . B 11 DC H5'' . 30473 1
129 . 2 2 2 2 DC H6 H 1 7.676 0.004 . 1 . . . . B 11 DC H6 . 30473 1
130 . 2 2 2 2 DC H41 H 1 8.463 0.001 . . . . . . B 11 DC H41 . 30473 1
131 . 2 2 2 2 DC H42 H 1 6.876 0.000 . . . . . . B 11 DC H42 . 30473 1
132 . 2 2 2 2 DC C1' C 13 87.041 0.000 . 1 . . . . B 11 DC C1' . 30473 1
133 . 2 2 2 2 DC C3' C 13 78.649 0.000 . 1 . . . . B 11 DC C3' . 30473 1
134 . 2 2 2 2 DC C4' C 13 86.315 0.000 . 1 . . . . B 11 DC C4' . 30473 1
135 . 2 2 2 2 DC C5 C 13 98.997 0.000 . 1 . . . . B 11 DC C5 . 30473 1
136 . 2 2 2 2 DC C6 C 13 143.415 0.000 . 1 . . . . B 11 DC C6 . 30473 1
137 . 2 2 2 2 DC P P 31 -4.058 0.000 . 1 . . . . B 11 DC P . 30473 1
138 . 2 2 3 3 DC H1' H 1 6.000 0.002 . 1 . . . . B 12 DC H1' . 30473 1
139 . 2 2 3 3 DC H2' H 1 2.182 0.001 . . . . . . B 12 DC H2' . 30473 1
140 . 2 2 3 3 DC H2'' H 1 2.481 0.001 . . . . . . B 12 DC H2'' . 30473 1
141 . 2 2 3 3 DC H3' H 1 4.870 0.001 . 1 . . . . B 12 DC H3' . 30473 1
142 . 2 2 3 3 DC H4' H 1 4.213 0.001 . 1 . . . . B 12 DC H4' . 30473 1
143 . 2 2 3 3 DC H5 H 1 5.674 0.011 . 1 . . . . B 12 DC H5 . 30473 1
144 . 2 2 3 3 DC H5' H 1 4.215 0.002 . . . . . . B 12 DC H5' . 30473 1
145 . 2 2 3 3 DC H5'' H 1 4.120 0.000 . . . . . . B 12 DC H5'' . 30473 1
146 . 2 2 3 3 DC H6 H 1 7.554 0.003 . 1 . . . . B 12 DC H6 . 30473 1
147 . 2 2 3 3 DC H41 H 1 8.515 0.002 . . . . . . B 12 DC H41 . 30473 1
148 . 2 2 3 3 DC H42 H 1 6.790 0.000 . . . . . . B 12 DC H42 . 30473 1
149 . 2 2 3 3 DC C1' C 13 86.753 0.000 . 1 . . . . B 12 DC C1' . 30473 1
150 . 2 2 3 3 DC C3' C 13 78.392 0.000 . 1 . . . . B 12 DC C3' . 30473 1
151 . 2 2 3 3 DC C5 C 13 99.173 0.000 . 1 . . . . B 12 DC C5 . 30473 1
152 . 2 2 3 3 DC C6 C 13 143.364 0.000 . 1 . . . . B 12 DC C6 . 30473 1
153 . 2 2 3 3 DC P P 31 -3.972 0.000 . 1 . . . . B 12 DC P . 30473 1
154 . 2 2 4 4 DC H1' H 1 5.583 0.001 . 1 . . . . B 13 DC H1' . 30473 1
155 . 2 2 4 4 DC H2' H 1 2.081 0.001 . . . . . . B 13 DC H2' . 30473 1
156 . 2 2 4 4 DC H2'' H 1 2.407 0.001 . . . . . . B 13 DC H2'' . 30473 1
157 . 2 2 4 4 DC H3' H 1 4.857 0.001 . 1 . . . . B 13 DC H3' . 30473 1
158 . 2 2 4 4 DC H4' H 1 4.132 0.001 . 1 . . . . B 13 DC H4' . 30473 1
159 . 2 2 4 4 DC H5 H 1 5.660 0.010 . 1 . . . . B 13 DC H5 . 30473 1
160 . 2 2 4 4 DC H5' H 1 4.127 0.004 . . . . . . B 13 DC H5' . 30473 1
161 . 2 2 4 4 DC H5'' H 1 4.118 0.000 . . . . . . B 13 DC H5'' . 30473 1
162 . 2 2 4 4 DC H6 H 1 7.462 0.002 . 1 . . . . B 13 DC H6 . 30473 1
163 . 2 2 4 4 DC H41 H 1 8.641 0.001 . . . . . . B 13 DC H41 . 30473 1
164 . 2 2 4 4 DC H42 H 1 6.859 0.001 . . . . . . B 13 DC H42 . 30473 1
165 . 2 2 4 4 DC C1' C 13 86.587 0.000 . 1 . . . . B 13 DC C1' . 30473 1
166 . 2 2 4 4 DC C3' C 13 77.309 0.000 . 1 . . . . B 13 DC C3' . 30473 1
167 . 2 2 4 4 DC C4' C 13 85.704 0.000 . 1 . . . . B 13 DC C4' . 30473 1
168 . 2 2 4 4 DC C5 C 13 99.042 0.000 . 1 . . . . B 13 DC C5 . 30473 1
169 . 2 2 4 4 DC C6 C 13 143.234 0.000 . 1 . . . . B 13 DC C6 . 30473 1
170 . 2 2 4 4 DC P P 31 -3.812 0.000 . 1 . . . . B 13 DC P . 30473 1
171 . 2 2 5 5 DG H1 H 1 13.029 0.000 . 1 . . . . B 14 DG H1 . 30473 1
172 . 2 2 5 5 DG H1' H 1 5.906 0.004 . 1 . . . . B 14 DG H1' . 30473 1
173 . 2 2 5 5 DG H2' H 1 2.695 0.003 . . . . . . B 14 DG H2' . 30473 1
174 . 2 2 5 5 DG H2'' H 1 2.725 0.004 . . . . . . B 14 DG H2'' . 30473 1
175 . 2 2 5 5 DG H3' H 1 4.996 0.002 . 1 . . . . B 14 DG H3' . 30473 1
176 . 2 2 5 5 DG H4' H 1 4.396 0.005 . 1 . . . . B 14 DG H4' . 30473 1
177 . 2 2 5 5 DG H5' H 1 4.136 0.002 . . . . . . B 14 DG H5' . 30473 1
178 . 2 2 5 5 DG H5'' H 1 4.068 0.002 . . . . . . B 14 DG H5'' . 30473 1
179 . 2 2 5 5 DG H8 H 1 7.922 0.000 . 1 . . . . B 14 DG H8 . 30473 1
180 . 2 2 5 5 DG C1' C 13 84.481 0.000 . 1 . . . . B 14 DG C1' . 30473 1
181 . 2 2 5 5 DG C3' C 13 79.698 0.000 . 1 . . . . B 14 DG C3' . 30473 1
182 . 2 2 5 5 DG C8 C 13 138.139 0.000 . 1 . . . . B 14 DG C8 . 30473 1
183 . 2 2 5 5 DG P P 31 -4.053 0.000 . 1 . . . . B 14 DG P . 30473 1
184 . 2 2 6 6 DC H1' H 1 5.943 0.002 . 1 . . . . B 15 DC H1' . 30473 1
185 . 2 2 6 6 DC H2' H 1 2.217 0.004 . . . . . . B 15 DC H2' . 30473 1
186 . 2 2 6 6 DC H2'' H 1 2.501 0.001 . . . . . . B 15 DC H2'' . 30473 1
187 . 2 2 6 6 DC H3' H 1 4.778 0.004 . 1 . . . . B 15 DC H3' . 30473 1
188 . 2 2 6 6 DC H4' H 1 4.226 0.002 . 1 . . . . B 15 DC H4' . 30473 1
189 . 2 2 6 6 DC H5 H 1 5.381 0.007 . 1 . . . . B 15 DC H5 . 30473 1
190 . 2 2 6 6 DC H5' H 1 4.259 0.005 . . . . . . B 15 DC H5' . 30473 1
191 . 2 2 6 6 DC H5'' H 1 4.174 0.000 . . . . . . B 15 DC H5'' . 30473 1
192 . 2 2 6 6 DC H6 H 1 7.399 0.002 . 1 . . . . B 15 DC H6 . 30473 1
193 . 2 2 6 6 DC H41 H 1 8.266 0.002 . . . . . . B 15 DC H41 . 30473 1
194 . 2 2 6 6 DC H42 H 1 6.414 0.001 . . . . . . B 15 DC H42 . 30473 1
195 . 2 2 6 6 DC C1' C 13 86.747 0.000 . 1 . . . . B 15 DC C1' . 30473 1
196 . 2 2 6 6 DC C3' C 13 76.627 0.000 . 1 . . . . B 15 DC C3' . 30473 1
197 . 2 2 6 6 DC C4' C 13 85.581 0.000 . 1 . . . . B 15 DC C4' . 30473 1
198 . 2 2 6 6 DC C5 C 13 98.353 0.000 . 1 . . . . B 15 DC C5 . 30473 1
199 . 2 2 6 6 DC C6 C 13 142.308 0.000 . 1 . . . . B 15 DC C6 . 30473 1
200 . 2 2 7 7 DC H1' H 1 5.904 0.003 . 1 . . . . B 16 DC H1' . 30473 1
201 . 2 2 7 7 DC H2' H 1 2.242 0.004 . . . . . . B 16 DC H2' . 30473 1
202 . 2 2 7 7 DC H2'' H 1 2.486 0.002 . . . . . . B 16 DC H2'' . 30473 1
203 . 2 2 7 7 DC H3' H 1 4.803 0.006 . 1 . . . . B 16 DC H3' . 30473 1
204 . 2 2 7 7 DC H4' H 1 4.154 0.000 . 1 . . . . B 16 DC H4' . 30473 1
205 . 2 2 7 7 DC H5 H 1 5.609 0.009 . 1 . . . . B 16 DC H5 . 30473 1
206 . 2 2 7 7 DC H5' H 1 4.161 0.003 . . . . . . B 16 DC H5' . 30473 1
207 . 2 2 7 7 DC H5'' H 1 4.108 0.001 . . . . . . B 16 DC H5'' . 30473 1
208 . 2 2 7 7 DC H6 H 1 7.570 0.003 . 1 . . . . B 16 DC H6 . 30473 1
209 . 2 2 7 7 DC H41 H 1 8.497 0.004 . . . . . . B 16 DC H41 . 30473 1
210 . 2 2 7 7 DC H42 H 1 6.780 0.004 . . . . . . B 16 DC H42 . 30473 1
211 . 2 2 7 7 DC C1' C 13 86.947 0.000 . 1 . . . . B 16 DC C1' . 30473 1
212 . 2 2 7 7 DC C3' C 13 76.019 0.000 . 1 . . . . B 16 DC C3' . 30473 1
213 . 2 2 7 7 DC C4' C 13 85.502 0.000 . 1 . . . . B 16 DC C4' . 30473 1
214 . 2 2 7 7 DC C5 C 13 98.692 0.000 . 1 . . . . B 16 DC C5 . 30473 1
215 . 2 2 7 7 DC C6 C 13 143.025 0.000 . 1 . . . . B 16 DC C6 . 30473 1
216 . 2 2 7 7 DC P P 31 -4.043 0.000 . 1 . . . . B 16 DC P . 30473 1
217 . 2 2 8 8 DC H1' H 1 6.060 0.004 . 1 . . . . B 17 DC H1' . 30473 1
218 . 2 2 8 8 DC H2' H 1 2.255 0.003 . . . . . . B 17 DC H2' . 30473 1
219 . 2 2 8 8 DC H2'' H 1 2.493 0.003 . . . . . . B 17 DC H2'' . 30473 1
220 . 2 2 8 8 DC H3' H 1 4.834 0.002 . 1 . . . . B 17 DC H3' . 30473 1
221 . 2 2 8 8 DC H4' H 1 4.166 0.001 . 1 . . . . B 17 DC H4' . 30473 1
222 . 2 2 8 8 DC H5 H 1 5.752 0.011 . 1 . . . . B 17 DC H5 . 30473 1
223 . 2 2 8 8 DC H5' H 1 4.167 0.001 . . . . . . B 17 DC H5' . 30473 1
224 . 2 2 8 8 DC H5'' H 1 4.094 0.006 . . . . . . B 17 DC H5'' . 30473 1
225 . 2 2 8 8 DC H6 H 1 7.645 0.002 . 1 . . . . B 17 DC H6 . 30473 1
226 . 2 2 8 8 DC H41 H 1 8.575 0.001 . . . . . . B 17 DC H41 . 30473 1
227 . 2 2 8 8 DC H42 H 1 6.995 0.001 . . . . . . B 17 DC H42 . 30473 1
228 . 2 2 8 8 DC C1' C 13 86.986 0.000 . 1 . . . . B 17 DC C1' . 30473 1
229 . 2 2 8 8 DC C3' C 13 75.798 0.000 . 1 . . . . B 17 DC C3' . 30473 1
230 . 2 2 8 8 DC C5 C 13 86.986 0.000 . 1 . . . . B 17 DC C5 . 30473 1
231 . 2 2 8 8 DC C6 C 13 143.354 0.000 . 1 . . . . B 17 DC C6 . 30473 1
232 . 2 2 8 8 DC P P 31 -4.001 0.000 . 1 . . . . B 17 DC P . 30473 1
233 . 2 2 9 9 DC H1' H 1 6.285 0.001 . 1 . . . . B 18 DC H1' . 30473 1
234 . 2 2 9 9 DC H3' H 1 4.572 0.001 . 1 . . . . B 18 DC H3' . 30473 1
235 . 2 2 9 9 DC H4' H 1 4.066 0.001 . 1 . . . . B 18 DC H4' . 30473 1
236 . 2 2 9 9 DC H5 H 1 5.897 0.009 . 1 . . . . B 18 DC H5 . 30473 1
237 . 2 2 9 9 DC H5' H 1 4.155 0.002 . . . . . . B 18 DC H5' . 30473 1
238 . 2 2 9 9 DC H5'' H 1 4.069 0.005 . . . . . . B 18 DC H5'' . 30473 1
239 . 2 2 9 9 DC H6 H 1 7.755 0.004 . 1 . . . . B 18 DC H6 . 30473 1
240 . 2 2 9 9 DC C1' C 13 87.279 0.000 . 1 . . . . B 18 DC C1' . 30473 1
241 . 2 2 9 9 DC C3' C 13 72.083 0.000 . 1 . . . . B 18 DC C3' . 30473 1
242 . 2 2 9 9 DC C4' C 13 87.074 0.000 . 1 . . . . B 18 DC C4' . 30473 1
243 . 2 2 9 9 DC C5 C 13 99.096 0.000 . 1 . . . . B 18 DC C5 . 30473 1
244 . 2 2 9 9 DC C6 C 13 144.180 0.000 . 1 . . . . B 18 DC C6 . 30473 1
stop_
save_