###################################
# 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 19280
_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 .
_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' . . . 19280 1
2 '2D 1H-1H JR NOESY' . . . 19280 1
9 15N-FILTERED . . . 19280 1
11 D-LABELED . . . 19280 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 DA H1' H 1 5.756 0.010 . 1 . . . A 1 DA H1' . 19280 1
2 . 1 1 1 1 DA H2 H 1 7.736 0.010 . 1 . . . A 1 DA H2 . 19280 1
3 . 1 1 1 1 DA H2' H 1 2.381 0.010 . 1 . . . A 1 DA H2' . 19280 1
4 . 1 1 1 1 DA H2'' H 1 2.514 0.010 . 1 . . . A 1 DA H2'' . 19280 1
5 . 1 1 1 1 DA H3' H 1 4.821 0.010 . 1 . . . A 1 DA H3' . 19280 1
6 . 1 1 1 1 DA H4' H 1 4.183 0.010 . 1 . . . A 1 DA H4' . 19280 1
7 . 1 1 1 1 DA H5' H 1 3.652 0.010 . 2 . . . A 1 DA H5' . 19280 1
8 . 1 1 1 1 DA H5'' H 1 3.652 0.010 . 2 . . . A 1 DA H5'' . 19280 1
9 . 1 1 1 1 DA H8 H 1 7.674 0.010 . 1 . . . A 1 DA H8 . 19280 1
10 . 1 1 2 2 DG H1 H 1 11.586 0.010 . 1 . . . A 2 DG H1 . 19280 1
11 . 1 1 2 2 DG H1' H 1 6.129 0.010 . 1 . . . A 2 DG H1' . 19280 1
12 . 1 1 2 2 DG H2' H 1 2.801 0.010 . 1 . . . A 2 DG H2' . 19280 1
13 . 1 1 2 2 DG H2'' H 1 3.072 0.010 . 1 . . . A 2 DG H2'' . 19280 1
14 . 1 1 2 2 DG H3' H 1 5.064 0.010 . 1 . . . A 2 DG H3' . 19280 1
15 . 1 1 2 2 DG H4' H 1 4.468 0.010 . 1 . . . A 2 DG H4' . 19280 1
16 . 1 1 2 2 DG H8 H 1 8.013 0.010 . 1 . . . A 2 DG H8 . 19280 1
17 . 1 1 3 3 DG H1 H 1 11.445 0.010 . 1 . . . A 3 DG H1 . 19280 1
18 . 1 1 3 3 DG H1' H 1 6.226 0.010 . 1 . . . A 3 DG H1' . 19280 1
19 . 1 1 3 3 DG H2' H 1 2.545 0.010 . 1 . . . A 3 DG H2' . 19280 1
20 . 1 1 3 3 DG H2'' H 1 2.978 0.010 . 1 . . . A 3 DG H2'' . 19280 1
21 . 1 1 3 3 DG H3' H 1 4.958 0.010 . 1 . . . A 3 DG H3' . 19280 1
22 . 1 1 3 3 DG H4' H 1 4.593 0.010 . 1 . . . A 3 DG H4' . 19280 1
23 . 1 1 3 3 DG H8 H 1 7.584 0.010 . 1 . . . A 3 DG H8 . 19280 1
24 . 1 1 4 4 DG H1 H 1 11.337 0.010 . 1 . . . A 4 DG H1 . 19280 1
25 . 1 1 4 4 DG H1' H 1 6.495 0.010 . 1 . . . A 4 DG H1' . 19280 1
26 . 1 1 4 4 DG H2' H 1 2.704 0.010 . 1 . . . A 4 DG H2' . 19280 1
27 . 1 1 4 4 DG H2'' H 1 2.760 0.010 . 1 . . . A 4 DG H2'' . 19280 1
28 . 1 1 4 4 DG H3' H 1 5.158 0.010 . 1 . . . A 4 DG H3' . 19280 1
29 . 1 1 4 4 DG H4' H 1 4.690 0.010 . 1 . . . A 4 DG H4' . 19280 1
30 . 1 1 4 4 DG H8 H 1 7.875 0.010 . 1 . . . A 4 DG H8 . 19280 1
31 . 1 1 5 5 DT H1' H 1 6.554 0.010 . 1 . . . A 5 DT H1' . 19280 1
32 . 1 1 5 5 DT H2' H 1 2.513 0.010 . 1 . . . A 5 DT H2' . 19280 1
33 . 1 1 5 5 DT H2'' H 1 2.707 0.010 . 1 . . . A 5 DT H2'' . 19280 1
34 . 1 1 5 5 DT H3' H 1 5.186 0.010 . 1 . . . A 5 DT H3' . 19280 1
35 . 1 1 5 5 DT H4' H 1 4.611 0.010 . 1 . . . A 5 DT H4' . 19280 1
36 . 1 1 5 5 DT H6 H 1 7.886 0.010 . 1 . . . A 5 DT H6 . 19280 1
37 . 1 1 5 5 DT H71 H 1 2.014 0.010 . 2 . . . A 5 DT H71 . 19280 1
38 . 1 1 5 5 DT H72 H 1 2.014 0.010 . 2 . . . A 5 DT H72 . 19280 1
39 . 1 1 5 5 DT H73 H 1 2.014 0.010 . 2 . . . A 5 DT H73 . 19280 1
40 . 1 1 6 6 DG H1 H 1 11.923 0.010 . 1 . . . A 6 DG H1 . 19280 1
41 . 1 1 6 6 DG H1' H 1 6.222 0.010 . 1 . . . A 6 DG H1' . 19280 1
42 . 1 1 6 6 DG H2' H 1 2.555 0.010 . 1 . . . A 6 DG H2' . 19280 1
43 . 1 1 6 6 DG H2'' H 1 3.090 0.010 . 1 . . . A 6 DG H2'' . 19280 1
44 . 1 1 6 6 DG H3' H 1 5.196 0.010 . 1 . . . A 6 DG H3' . 19280 1
45 . 1 1 6 6 DG H4' H 1 4.484 0.010 . 1 . . . A 6 DG H4' . 19280 1
46 . 1 1 6 6 DG H8 H 1 8.131 0.010 . 1 . . . A 6 DG H8 . 19280 1
47 . 1 1 7 7 DG H1 H 1 11.283 0.010 . 1 . . . A 7 DG H1 . 19280 1
48 . 1 1 7 7 DG H1' H 1 6.227 0.010 . 1 . . . A 7 DG H1' . 19280 1
49 . 1 1 7 7 DG H2' H 1 2.637 0.010 . 1 . . . A 7 DG H2' . 19280 1
50 . 1 1 7 7 DG H2'' H 1 3.007 0.010 . 1 . . . A 7 DG H2'' . 19280 1
51 . 1 1 7 7 DG H3' H 1 5.130 0.010 . 1 . . . A 7 DG H3' . 19280 1
52 . 1 1 7 7 DG H4' H 1 4.556 0.010 . 1 . . . A 7 DG H4' . 19280 1
53 . 1 1 7 7 DG H8 H 1 7.948 0.010 . 1 . . . A 7 DG H8 . 19280 1
54 . 1 1 8 8 DG H1 H 1 11.431 0.010 . 1 . . . A 8 DG H1 . 19280 1
55 . 1 1 8 8 DG H1' H 1 6.543 0.010 . 1 . . . A 8 DG H1' . 19280 1
56 . 1 1 8 8 DG H2' H 1 2.612 0.010 . 1 . . . A 8 DG H2' . 19280 1
57 . 1 1 8 8 DG H2'' H 1 2.728 0.010 . 1 . . . A 8 DG H2'' . 19280 1
58 . 1 1 8 8 DG H3' H 1 5.108 0.010 . 1 . . . A 8 DG H3' . 19280 1
59 . 1 1 8 8 DG H4' H 1 4.706 0.010 . 1 . . . A 8 DG H4' . 19280 1
60 . 1 1 8 8 DG H8 H 1 7.807 0.010 . 1 . . . A 8 DG H8 . 19280 1
61 . 1 1 9 9 DT H1' H 1 6.539 0.010 . 1 . . . A 9 DT H1' . 19280 1
62 . 1 1 9 9 DT H2' H 1 2.468 0.010 . 1 . . . A 9 DT H2' . 19280 1
63 . 1 1 9 9 DT H2'' H 1 2.677 0.010 . 1 . . . A 9 DT H2'' . 19280 1
64 . 1 1 9 9 DT H3' H 1 5.173 0.010 . 1 . . . A 9 DT H3' . 19280 1
65 . 1 1 9 9 DT H4' H 1 4.651 0.010 . 1 . . . A 9 DT H4' . 19280 1
66 . 1 1 9 9 DT H6 H 1 7.923 0.010 . 1 . . . A 9 DT H6 . 19280 1
67 . 1 1 9 9 DT H71 H 1 2.011 0.010 . 2 . . . A 9 DT H71 . 19280 1
68 . 1 1 9 9 DT H72 H 1 2.011 0.010 . 2 . . . A 9 DT H72 . 19280 1
69 . 1 1 9 9 DT H73 H 1 2.011 0.010 . 2 . . . A 9 DT H73 . 19280 1
70 . 1 1 10 10 DG H1 H 1 11.638 0.010 . 1 . . . A 10 DG H1 . 19280 1
71 . 1 1 10 10 DG H1' H 1 6.286 0.010 . 1 . . . A 10 DG H1' . 19280 1
72 . 1 1 10 10 DG H2' H 1 2.721 0.010 . 1 . . . A 10 DG H2' . 19280 1
73 . 1 1 10 10 DG H2'' H 1 2.953 0.010 . 1 . . . A 10 DG H2'' . 19280 1
74 . 1 1 10 10 DG H3' H 1 5.110 0.010 . 1 . . . A 10 DG H3' . 19280 1
75 . 1 1 10 10 DG H4' H 1 4.741 0.010 . 1 . . . A 10 DG H4' . 19280 1
76 . 1 1 10 10 DG H8 H 1 8.172 0.010 . 1 . . . A 10 DG H8 . 19280 1
77 . 1 1 11 11 DC H1' H 1 6.424 0.010 . 1 . . . A 11 DC H1' . 19280 1
78 . 1 1 11 11 DC H2' H 1 2.303 0.010 . 1 . . . A 11 DC H2' . 19280 1
79 . 1 1 11 11 DC H2'' H 1 2.707 0.010 . 1 . . . A 11 DC H2'' . 19280 1
80 . 1 1 11 11 DC H3' H 1 4.823 0.010 . 1 . . . A 11 DC H3' . 19280 1
81 . 1 1 11 11 DC H4' H 1 4.465 0.010 . 1 . . . A 11 DC H4' . 19280 1
82 . 1 1 11 11 DC H5 H 1 6.077 0.010 . 1 . . . A 11 DC H5 . 19280 1
83 . 1 1 11 11 DC H6 H 1 8.067 0.010 . 1 . . . A 11 DC H6 . 19280 1
84 . 1 1 12 12 DT H1' H 1 5.806 0.010 . 1 . . . A 12 DT H1' . 19280 1
85 . 1 1 12 12 DT H2' H 1 2.139 0.010 . 1 . . . A 12 DT H2' . 19280 1
86 . 1 1 12 12 DT H2'' H 1 2.453 0.010 . 1 . . . A 12 DT H2'' . 19280 1
87 . 1 1 12 12 DT H3' H 1 4.890 0.010 . 1 . . . A 12 DT H3' . 19280 1
88 . 1 1 12 12 DT H4' H 1 4.304 0.010 . 1 . . . A 12 DT H4' . 19280 1
89 . 1 1 12 12 DT H6 H 1 7.522 0.010 . 1 . . . A 12 DT H6 . 19280 1
90 . 1 1 12 12 DT H71 H 1 1.102 0.010 . 2 . . . A 12 DT H71 . 19280 1
91 . 1 1 12 12 DT H72 H 1 1.102 0.010 . 2 . . . A 12 DT H72 . 19280 1
92 . 1 1 12 12 DT H73 H 1 1.102 0.010 . 2 . . . A 12 DT H73 . 19280 1
93 . 1 1 13 13 DG H1 H 1 11.194 0.010 . 1 . . . A 13 DG H1 . 19280 1
94 . 1 1 13 13 DG H1' H 1 5.990 0.010 . 1 . . . A 13 DG H1' . 19280 1
95 . 1 1 13 13 DG H2' H 1 2.667 0.010 . 1 . . . A 13 DG H2' . 19280 1
96 . 1 1 13 13 DG H2'' H 1 2.847 0.010 . 1 . . . A 13 DG H2'' . 19280 1
97 . 1 1 13 13 DG H3' H 1 4.973 0.010 . 1 . . . A 13 DG H3' . 19280 1
98 . 1 1 13 13 DG H4' H 1 4.407 0.010 . 1 . . . A 13 DG H4' . 19280 1
99 . 1 1 13 13 DG H8 H 1 8.009 0.010 . 1 . . . A 13 DG H8 . 19280 1
100 . 1 1 14 14 DG H1 H 1 11.337 0.010 . 1 . . . A 14 DG H1 . 19280 1
101 . 1 1 14 14 DG H1' H 1 5.893 0.010 . 1 . . . A 14 DG H1' . 19280 1
102 . 1 1 14 14 DG H2' H 1 2.522 0.010 . 1 . . . A 14 DG H2' . 19280 1
103 . 1 1 14 14 DG H2'' H 1 2.585 0.010 . 1 . . . A 14 DG H2'' . 19280 1
104 . 1 1 14 14 DG H3' H 1 4.955 0.010 . 1 . . . A 14 DG H3' . 19280 1
105 . 1 1 14 14 DG H4' H 1 4.464 0.010 . 1 . . . A 14 DG H4' . 19280 1
106 . 1 1 14 14 DG H8 H 1 7.663 0.010 . 1 . . . A 14 DG H8 . 19280 1
107 . 1 1 15 15 DG H1 H 1 11.041 0.010 . 1 . . . A 15 DG H1 . 19280 1
108 . 1 1 15 15 DG H1' H 1 6.162 0.010 . 1 . . . A 15 DG H1' . 19280 1
109 . 1 1 15 15 DG H2' H 1 2.309 0.010 . 1 . . . A 15 DG H2' . 19280 1
110 . 1 1 15 15 DG H2'' H 1 2.975 0.010 . 1 . . . A 15 DG H2'' . 19280 1
111 . 1 1 15 15 DG H3' H 1 4.928 0.010 . 1 . . . A 15 DG H3' . 19280 1
112 . 1 1 15 15 DG H4' H 1 4.505 0.010 . 1 . . . A 15 DG H4' . 19280 1
113 . 1 1 15 15 DG H8 H 1 7.341 0.010 . 1 . . . A 15 DG H8 . 19280 1
114 . 1 1 16 16 DG H1 H 1 12.548 0.010 . 1 . . . A 16 DG H1 . 19280 1
115 . 1 1 16 16 DG H1' H 1 5.353 0.010 . 1 . . . A 16 DG H1' . 19280 1
116 . 1 1 16 16 DG H2' H 1 2.098 0.010 . 1 . . . A 16 DG H2' . 19280 1
117 . 1 1 16 16 DG H2'' H 1 2.507 0.010 . 1 . . . A 16 DG H2'' . 19280 1
118 . 1 1 16 16 DG H3' H 1 4.681 0.010 . 1 . . . A 16 DG H3' . 19280 1
119 . 1 1 16 16 DG H4' H 1 4.435 0.010 . 1 . . . A 16 DG H4' . 19280 1
120 . 1 1 16 16 DG H8 H 1 7.853 0.010 . 1 . . . A 16 DG H8 . 19280 1
121 . 1 1 17 17 DC H1' H 1 5.443 0.010 . 1 . . . A 17 DC H1' . 19280 1
122 . 1 1 17 17 DC H2' H 1 1.530 0.010 . 1 . . . A 17 DC H2' . 19280 1
123 . 1 1 17 17 DC H2'' H 1 2.087 0.010 . 1 . . . A 17 DC H2'' . 19280 1
124 . 1 1 17 17 DC H3' H 1 4.446 0.010 . 1 . . . A 17 DC H3' . 19280 1
125 . 1 1 17 17 DC H4' H 1 2.435 0.010 . 1 . . . A 17 DC H4' . 19280 1
126 . 1 1 17 17 DC H5 H 1 4.788 0.010 . 1 . . . A 17 DC H5 . 19280 1
127 . 1 1 17 17 DC H5' H 1 3.712 0.010 . 2 . . . A 17 DC H5' . 19280 1
128 . 1 1 17 17 DC H5'' H 1 3.627 0.010 . 2 . . . A 17 DC H5'' . 19280 1
129 . 1 1 17 17 DC H6 H 1 6.945 0.010 . 1 . . . A 17 DC H6 . 19280 1
130 . 1 1 17 17 DC H41 H 1 8.201 0.010 . 1 . . . A 17 DC H41 . 19280 1
131 . 1 1 17 17 DC H42 H 1 6.128 0.010 . 1 . . . A 17 DC H42 . 19280 1
132 . 1 1 18 18 DG H1 H 1 12.735 0.010 . 1 . . . A 18 DG H1 . 19280 1
133 . 1 1 18 18 DG H1' H 1 5.651 0.010 . 1 . . . A 18 DG H1' . 19280 1
134 . 1 1 18 18 DG H2' H 1 2.496 0.010 . 1 . . . A 18 DG H2' . 19280 1
135 . 1 1 18 18 DG H2'' H 1 2.594 0.010 . 1 . . . A 18 DG H2'' . 19280 1
136 . 1 1 18 18 DG H3' H 1 4.862 0.010 . 1 . . . A 18 DG H3' . 19280 1
137 . 1 1 18 18 DG H4' H 1 4.170 0.010 . 1 . . . A 18 DG H4' . 19280 1
138 . 1 1 18 18 DG H8 H 1 7.728 0.010 . 1 . . . A 18 DG H8 . 19280 1
139 . 1 1 19 19 DC H1' H 1 5.459 0.010 . 1 . . . A 19 DC H1' . 19280 1
140 . 1 1 19 19 DC H2' H 1 1.752 0.010 . 1 . . . A 19 DC H2' . 19280 1
141 . 1 1 19 19 DC H2'' H 1 2.198 0.010 . 1 . . . A 19 DC H2'' . 19280 1
142 . 1 1 19 19 DC H3' H 1 4.711 0.010 . 1 . . . A 19 DC H3' . 19280 1
143 . 1 1 19 19 DC H4' H 1 4.010 0.010 . 1 . . . A 19 DC H4' . 19280 1
144 . 1 1 19 19 DC H5 H 1 5.229 0.010 . 1 . . . A 19 DC H5 . 19280 1
145 . 1 1 19 19 DC H6 H 1 7.112 0.010 . 1 . . . A 19 DC H6 . 19280 1
146 . 1 1 19 19 DC H41 H 1 8.211 0.010 . 1 . . . A 19 DC H41 . 19280 1
147 . 1 1 19 19 DC H42 H 1 6.285 0.010 . 1 . . . A 19 DC H42 . 19280 1
148 . 1 1 20 20 DG H1 H 1 12.697 0.010 . 1 . . . A 20 DG H1 . 19280 1
149 . 1 1 20 20 DG H1' H 1 5.361 0.010 . 1 . . . A 20 DG H1' . 19280 1
150 . 1 1 20 20 DG H2' H 1 2.575 0.010 . 1 . . . A 20 DG H2' . 19280 1
151 . 1 1 20 20 DG H2'' H 1 2.666 0.010 . 1 . . . A 20 DG H2'' . 19280 1
152 . 1 1 20 20 DG H3' H 1 4.920 0.010 . 1 . . . A 20 DG H3' . 19280 1
153 . 1 1 20 20 DG H4' H 1 4.224 0.010 . 1 . . . A 20 DG H4' . 19280 1
154 . 1 1 20 20 DG H8 H 1 7.791 0.010 . 1 . . . A 20 DG H8 . 19280 1
155 . 1 1 21 21 DA H1' H 1 5.881 0.010 . 1 . . . A 21 DA H1' . 19280 1
156 . 1 1 21 21 DA H2 H 1 7.560 0.010 . 1 . . . A 21 DA H2 . 19280 1
157 . 1 1 21 21 DA H2' H 1 2.292 0.010 . 1 . . . A 21 DA H2' . 19280 1
158 . 1 1 21 21 DA H2'' H 1 2.607 0.010 . 1 . . . A 21 DA H2'' . 19280 1
159 . 1 1 21 21 DA H3' H 1 4.949 0.010 . 1 . . . A 21 DA H3' . 19280 1
160 . 1 1 21 21 DA H4' H 1 4.284 0.010 . 1 . . . A 21 DA H4' . 19280 1
161 . 1 1 21 21 DA H8 H 1 7.883 0.010 . 1 . . . A 21 DA H8 . 19280 1
162 . 1 1 22 22 DA H1' H 1 5.874 0.010 . 1 . . . A 22 DA H1' . 19280 1
163 . 1 1 22 22 DA H2 H 1 7.688 0.010 . 1 . . . A 22 DA H2 . 19280 1
164 . 1 1 22 22 DA H2' H 1 2.058 0.010 . 1 . . . A 22 DA H2' . 19280 1
165 . 1 1 22 22 DA H2'' H 1 2.422 0.010 . 1 . . . A 22 DA H2'' . 19280 1
166 . 1 1 22 22 DA H3' H 1 4.879 0.010 . 1 . . . A 22 DA H3' . 19280 1
167 . 1 1 22 22 DA H4' H 1 4.348 0.010 . 1 . . . A 22 DA H4' . 19280 1
168 . 1 1 22 22 DA H8 H 1 7.444 0.010 . 1 . . . A 22 DA H8 . 19280 1
169 . 1 1 23 23 DG H1' H 1 5.378 0.010 . 1 . . . A 23 DG H1' . 19280 1
170 . 1 1 23 23 DG H2' H 1 2.631 0.010 . 1 . . . A 23 DG H2' . 19280 1
171 . 1 1 23 23 DG H2'' H 1 2.343 0.010 . 1 . . . A 23 DG H2'' . 19280 1
172 . 1 1 23 23 DG H3' H 1 4.810 0.010 . 1 . . . A 23 DG H3' . 19280 1
173 . 1 1 23 23 DG H4' H 1 4.372 0.010 . 1 . . . A 23 DG H4' . 19280 1
174 . 1 1 23 23 DG H8 H 1 8.037 0.010 . 1 . . . A 23 DG H8 . 19280 1
175 . 1 1 24 24 DC H1' H 1 5.698 0.010 . 1 . . . A 24 DC H1' . 19280 1
176 . 1 1 24 24 DC H2' H 1 1.593 0.010 . 1 . . . A 24 DC H2' . 19280 1
177 . 1 1 24 24 DC H2'' H 1 2.042 0.010 . 1 . . . A 24 DC H2'' . 19280 1
178 . 1 1 24 24 DC H3' H 1 4.411 0.010 . 1 . . . A 24 DC H3' . 19280 1
179 . 1 1 24 24 DC H4' H 1 2.101 0.010 . 1 . . . A 24 DC H4' . 19280 1
180 . 1 1 24 24 DC H5 H 1 5.211 0.010 . 1 . . . A 24 DC H5 . 19280 1
181 . 1 1 24 24 DC H6 H 1 7.195 0.010 . 1 . . . A 24 DC H6 . 19280 1
182 . 1 1 25 25 DA H1' H 1 6.310 0.010 . 1 . . . A 25 DA H1' . 19280 1
183 . 1 1 25 25 DA H2 H 1 8.026 0.010 . 1 . . . A 25 DA H2 . 19280 1
184 . 1 1 25 25 DA H2' H 1 2.987 0.010 . 1 . . . A 25 DA H2' . 19280 1
185 . 1 1 25 25 DA H2'' H 1 2.938 0.010 . 1 . . . A 25 DA H2'' . 19280 1
186 . 1 1 25 25 DA H3' H 1 4.811 0.010 . 1 . . . A 25 DA H3' . 19280 1
187 . 1 1 25 25 DA H4' H 1 4.333 0.010 . 1 . . . A 25 DA H4' . 19280 1
188 . 1 1 25 25 DA H5' H 1 3.972 0.010 . 2 . . . A 25 DA H5' . 19280 1
189 . 1 1 25 25 DA H5'' H 1 3.829 0.010 . 2 . . . A 25 DA H5'' . 19280 1
190 . 1 1 25 25 DA H8 H 1 8.078 0.010 . 1 . . . A 25 DA H8 . 19280 1
191 . 1 1 26 26 DT H1' H 1 5.668 0.010 . 1 . . . A 26 DT H1' . 19280 1
192 . 1 1 26 26 DT H2' H 1 2.096 0.010 . 1 . . . A 26 DT H2' . 19280 1
193 . 1 1 26 26 DT H2'' H 1 2.493 0.010 . 1 . . . A 26 DT H2'' . 19280 1
194 . 1 1 26 26 DT H3 H 1 13.285 0.010 . 1 . . . A 26 DT H3 . 19280 1
195 . 1 1 26 26 DT H3' H 1 4.738 0.010 . 1 . . . A 26 DT H3' . 19280 1
196 . 1 1 26 26 DT H4' H 1 4.286 0.010 . 1 . . . A 26 DT H4' . 19280 1
197 . 1 1 26 26 DT H6 H 1 7.393 0.010 . 1 . . . A 26 DT H6 . 19280 1
198 . 1 1 26 26 DT H71 H 1 1.814 0.010 . 2 . . . A 26 DT H71 . 19280 1
199 . 1 1 26 26 DT H72 H 1 1.814 0.010 . 2 . . . A 26 DT H72 . 19280 1
200 . 1 1 26 26 DT H73 H 1 1.814 0.010 . 2 . . . A 26 DT H73 . 19280 1
201 . 1 1 27 27 DT H1' H 1 6.045 0.010 . 1 . . . A 27 DT H1' . 19280 1
202 . 1 1 27 27 DT H2' H 1 2.180 0.010 . 1 . . . A 27 DT H2' . 19280 1
203 . 1 1 27 27 DT H2'' H 1 2.478 0.010 . 1 . . . A 27 DT H2'' . 19280 1
204 . 1 1 27 27 DT H3 H 1 13.862 0.010 . 1 . . . A 27 DT H3 . 19280 1
205 . 1 1 27 27 DT H3' H 1 4.863 0.010 . 1 . . . A 27 DT H3' . 19280 1
206 . 1 1 27 27 DT H4' H 1 4.222 0.010 . 1 . . . A 27 DT H4' . 19280 1
207 . 1 1 27 27 DT H6 H 1 7.405 0.010 . 1 . . . A 27 DT H6 . 19280 1
208 . 1 1 27 27 DT H71 H 1 1.594 0.010 . 2 . . . A 27 DT H71 . 19280 1
209 . 1 1 27 27 DT H72 H 1 1.594 0.010 . 2 . . . A 27 DT H72 . 19280 1
210 . 1 1 27 27 DT H73 H 1 1.594 0.010 . 2 . . . A 27 DT H73 . 19280 1
211 . 1 1 28 28 DC H1' H 1 5.593 0.010 . 1 . . . A 28 DC H1' . 19280 1
212 . 1 1 28 28 DC H2' H 1 2.052 0.010 . 1 . . . A 28 DC H2' . 19280 1
213 . 1 1 28 28 DC H2'' H 1 2.362 0.010 . 1 . . . A 28 DC H2'' . 19280 1
214 . 1 1 28 28 DC H3' H 1 4.827 0.010 . 1 . . . A 28 DC H3' . 19280 1
215 . 1 1 28 28 DC H4' H 1 4.128 0.010 . 1 . . . A 28 DC H4' . 19280 1
216 . 1 1 28 28 DC H5 H 1 5.630 0.010 . 1 . . . A 28 DC H5 . 19280 1
217 . 1 1 28 28 DC H6 H 1 7.466 0.010 . 1 . . . A 28 DC H6 . 19280 1
218 . 1 1 28 28 DC H41 H 1 8.466 0.010 . 1 . . . A 28 DC H41 . 19280 1
219 . 1 1 28 28 DC H42 H 1 6.852 0.010 . 1 . . . A 28 DC H42 . 19280 1
220 . 1 1 29 29 DG H1 H 1 12.742 0.010 . 1 . . . A 29 DG H1 . 19280 1
221 . 1 1 29 29 DG H1' H 1 5.758 0.010 . 1 . . . A 29 DG H1' . 19280 1
222 . 1 1 29 29 DG H2' H 1 2.577 0.010 . 1 . . . A 29 DG H2' . 19280 1
223 . 1 1 29 29 DG H2'' H 1 2.633 0.010 . 1 . . . A 29 DG H2'' . 19280 1
224 . 1 1 29 29 DG H3' H 1 4.933 0.010 . 1 . . . A 29 DG H3' . 19280 1
225 . 1 1 29 29 DG H4' H 1 4.303 0.010 . 1 . . . A 29 DG H4' . 19280 1
226 . 1 1 29 29 DG H8 H 1 7.836 0.010 . 1 . . . A 29 DG H8 . 19280 1
227 . 1 1 30 30 DC H1' H 1 5.562 0.010 . 1 . . . A 30 DC H1' . 19280 1
228 . 1 1 30 30 DC H2' H 1 1.858 0.010 . 1 . . . A 30 DC H2' . 19280 1
229 . 1 1 30 30 DC H2'' H 1 2.222 0.010 . 1 . . . A 30 DC H2'' . 19280 1
230 . 1 1 30 30 DC H3' H 1 4.770 0.010 . 1 . . . A 30 DC H3' . 19280 1
231 . 1 1 30 30 DC H4' H 1 4.061 0.010 . 1 . . . A 30 DC H4' . 19280 1
232 . 1 1 30 30 DC H5 H 1 5.276 0.010 . 1 . . . A 30 DC H5 . 19280 1
233 . 1 1 30 30 DC H6 H 1 7.221 0.010 . 1 . . . A 30 DC H6 . 19280 1
234 . 1 1 30 30 DC H41 H 1 8.104 0.010 . 1 . . . A 30 DC H41 . 19280 1
235 . 1 1 30 30 DC H42 H 1 6.275 0.010 . 1 . . . A 30 DC H42 . 19280 1
236 . 1 1 31 31 DG H1 H 1 12.663 0.010 . 1 . . . A 31 DG H1 . 19280 1
237 . 1 1 31 31 DG H1' H 1 5.490 0.010 . 1 . . . A 31 DG H1' . 19280 1
238 . 1 1 31 31 DG H2' H 1 2.387 0.010 . 1 . . . A 31 DG H2' . 19280 1
239 . 1 1 31 31 DG H2'' H 1 2.644 0.010 . 1 . . . A 31 DG H2'' . 19280 1
240 . 1 1 31 31 DG H3' H 1 4.961 0.010 . 1 . . . A 31 DG H3' . 19280 1
241 . 1 1 31 31 DG H4' H 1 4.174 0.010 . 1 . . . A 31 DG H4' . 19280 1
242 . 1 1 31 31 DG H8 H 1 7.639 0.010 . 1 . . . A 31 DG H8 . 19280 1
243 . 1 1 32 32 DA H1' H 1 6.110 0.010 . 1 . . . A 32 DA H1' . 19280 1
244 . 1 1 32 32 DA H2 H 1 7.588 0.010 . 1 . . . A 32 DA H2 . 19280 1
245 . 1 1 32 32 DA H2' H 1 2.890 0.010 . 1 . . . A 32 DA H2' . 19280 1
246 . 1 1 32 32 DA H2'' H 1 2.270 0.010 . 1 . . . A 32 DA H2'' . 19280 1
247 . 1 1 32 32 DA H3' H 1 5.177 0.010 . 1 . . . A 32 DA H3' . 19280 1
248 . 1 1 32 32 DA H4' H 1 4.317 0.010 . 1 . . . A 32 DA H4' . 19280 1
249 . 1 1 32 32 DA H8 H 1 8.247 0.010 . 1 . . . A 32 DA H8 . 19280 1
250 . 1 1 33 33 DG H1 H 1 11.256 0.010 . 1 . . . A 33 DG H1 . 19280 1
251 . 1 1 33 33 DG H1' H 1 5.889 0.010 . 1 . . . A 33 DG H1' . 19280 1
252 . 1 1 33 33 DG H2' H 1 2.667 0.010 . 2 . . . A 33 DG H2' . 19280 1
253 . 1 1 33 33 DG H2'' H 1 2.667 0.010 . 2 . . . A 33 DG H2'' . 19280 1
254 . 1 1 33 33 DG H3' H 1 4.885 0.010 . 1 . . . A 33 DG H3' . 19280 1
255 . 1 1 33 33 DG H4' H 1 4.437 0.010 . 1 . . . A 33 DG H4' . 19280 1
256 . 1 1 33 33 DG H8 H 1 7.697 0.010 . 1 . . . A 33 DG H8 . 19280 1
257 . 1 1 34 34 DG H1 H 1 10.951 0.010 . 1 . . . A 34 DG H1 . 19280 1
258 . 1 1 34 34 DG H1' H 1 6.122 0.010 . 1 . . . A 34 DG H1' . 19280 1
259 . 1 1 34 34 DG H2' H 1 2.260 0.010 . 1 . . . A 34 DG H2' . 19280 1
260 . 1 1 34 34 DG H2'' H 1 2.482 0.010 . 1 . . . A 34 DG H2'' . 19280 1
261 . 1 1 34 34 DG H3' H 1 4.659 0.010 . 1 . . . A 34 DG H3' . 19280 1
262 . 1 1 34 34 DG H4' H 1 4.317 0.010 . 1 . . . A 34 DG H4' . 19280 1
263 . 1 1 34 34 DG H8 H 1 6.599 0.010 . 1 . . . A 34 DG H8 . 19280 1
stop_
save_