###################################
# 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 34159
_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' . . . 34159 1
2 '2D 1H-1H NOESY' . . . 34159 1
3 '2D DQF-COSY' . . . 34159 1
4 '2D 1H-1H TOCSY' . . . 34159 1
5 '2D 1H-13C HSQC' . . . 34159 1
6 '2D 1H-31P COSY' . . . 34159 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 DCZ H1' H 1 5.764 0.001 . 1 . . . . A 1 DCZ H1' . 34159 1
2 . 1 1 1 1 DCZ H2'1 H 1 1.857 0.001 . 1 . . . . A 1 DCZ H2'1 . 34159 1
3 . 1 1 1 1 DCZ H2'2 H 1 2.368 0.002 . 1 . . . . A 1 DCZ H2'2 . 34159 1
4 . 1 1 1 1 DCZ H3' H 1 4.709 0.001 . 1 . . . . A 1 DCZ H3' . 34159 1
5 . 1 1 1 1 DCZ H4' H 1 4.064 0.001 . 1 . . . . A 1 DCZ H4' . 34159 1
6 . 1 1 1 1 DCZ H5 H 1 5.877 0.001 . 1 . . . . A 1 DCZ H5 . 34159 1
7 . 1 1 1 1 DCZ H5'1 H 1 3.709 0.001 . 2 . . . . A 1 DCZ H5'1 . 34159 1
8 . 1 1 1 1 DCZ H6 H 1 7.584 0.002 . 1 . . . . A 1 DCZ H6 . 34159 1
9 . 1 1 2 2 DG H1 H 1 12.883 0.002 . 1 . . . . A 2 DG H1 . 34159 1
10 . 1 1 2 2 DG H1' H 1 5.430 0.002 . 1 . . . . A 2 DG H1' . 34159 1
11 . 1 1 2 2 DG H2' H 1 2.769 0.001 . 1 . . . . A 2 DG H2' . 34159 1
12 . 1 1 2 2 DG H2'' H 1 2.857 0.002 . 1 . . . . A 2 DG H2'' . 34159 1
13 . 1 1 2 2 DG H3' H 1 5.033 0.001 . 1 . . . . A 2 DG H3' . 34159 1
14 . 1 1 2 2 DG H4' H 1 4.320 0.001 . 1 . . . . A 2 DG H4' . 34159 1
15 . 1 1 2 2 DG H5' H 1 3.979 0.000 . 2 . . . . A 2 DG H5' . 34159 1
16 . 1 1 2 2 DG H5'' H 1 4.095 0.001 . 2 . . . . A 2 DG H5'' . 34159 1
17 . 1 1 2 2 DG H8 H 1 8.019 0.001 . 1 . . . . A 2 DG H8 . 34159 1
18 . 1 1 3 3 DA H1' H 1 6.350 0.001 . 1 . . . . A 3 DA H1' . 34159 1
19 . 1 1 3 3 DA H2 H 1 7.963 0.000 . 1 . . . . A 3 DA H2 . 34159 1
20 . 1 1 3 3 DA H2' H 1 2.830 0.001 . 1 . . . . A 3 DA H2' . 34159 1
21 . 1 1 3 3 DA H2'' H 1 3.006 0.001 . 1 . . . . A 3 DA H2'' . 34159 1
22 . 1 1 3 3 DA H3' H 1 5.129 0.002 . 1 . . . . A 3 DA H3' . 34159 1
23 . 1 1 3 3 DA H4' H 1 4.520 0.001 . 1 . . . . A 3 DA H4' . 34159 1
24 . 1 1 3 3 DA H5' H 1 4.205 0.000 . 2 . . . . A 3 DA H5' . 34159 1
25 . 1 1 3 3 DA H8 H 1 8.436 0.001 . 1 . . . . A 3 DA H8 . 34159 1
26 . 1 1 4 4 DT H1' H 1 5.726 0.002 . 1 . . . . A 4 DT H1' . 34159 1
27 . 1 1 4 4 DT H2' H 1 2.505 0.001 . 1 . . . . A 4 DT H2' . 34159 1
28 . 1 1 4 4 DT H2'' H 1 2.596 0.000 . 1 . . . . A 4 DT H2'' . 34159 1
29 . 1 1 4 4 DT H3 H 1 13.728 0.001 . 1 . . . . A 4 DT H3 . 34159 1
30 . 1 1 4 4 DT H3' H 1 5.036 0.002 . 1 . . . . A 4 DT H3' . 34159 1
31 . 1 1 4 4 DT H4' H 1 4.261 0.001 . 1 . . . . A 4 DT H4' . 34159 1
32 . 1 1 4 4 DT H6 H 1 7.420 0.001 . 1 . . . . A 4 DT H6 . 34159 1
33 . 1 1 4 4 DT H71 H 1 1.546 0.001 . 1 . . . . A 4 DT H71 . 34159 1
34 . 1 1 4 4 DT H72 H 1 1.546 0.001 . 1 . . . . A 4 DT H72 . 34159 1
35 . 1 1 4 4 DT H73 H 1 1.546 0.001 . 1 . . . . A 4 DT H73 . 34159 1
36 . 1 1 5 5 DG H1 H 1 12.281 0.002 . 1 . . . . A 5 DG H1 . 34159 1
37 . 1 1 5 5 DG H1' H 1 5.982 0.001 . 1 . . . . A 5 DG H1' . 34159 1
38 . 1 1 5 5 DG H2' H 1 2.611 0.001 . 2 . . . . A 5 DG H2' . 34159 1
39 . 1 1 5 5 DG H3' H 1 5.026 0.001 . 1 . . . . A 5 DG H3' . 34159 1
40 . 1 1 5 5 DG H4' H 1 4.213 0.001 . 1 . . . . A 5 DG H4' . 34159 1
41 . 1 1 5 5 DG H5' H 1 3.618 0.001 . 2 . . . . A 5 DG H5' . 34159 1
42 . 1 1 5 5 DG H5'' H 1 3.752 0.001 . 2 . . . . A 5 DG H5'' . 34159 1
43 . 1 1 5 5 DG H8 H 1 7.966 0.001 . 1 . . . . A 5 DG H8 . 34159 1
44 . 1 1 5 5 DG H21 H 1 8.064 0.001 . 1 . . . . A 5 DG H21 . 34159 1
45 . 1 1 5 5 DG H22 H 1 7.867 0.001 . 1 . . . . A 5 DG H22 . 34159 1
46 . 1 1 6 6 DT H1' H 1 4.963 0.002 . 1 . . . . A 6 DT H1' . 34159 1
47 . 1 1 6 6 DT H2' H 1 1.696 0.001 . 1 . . . . A 6 DT H2' . 34159 1
48 . 1 1 6 6 DT H2'' H 1 2.170 0.001 . 1 . . . . A 6 DT H2'' . 34159 1
49 . 1 1 6 6 DT H3 H 1 12.584 0.001 . 1 . . . . A 6 DT H3 . 34159 1
50 . 1 1 6 6 DT H3' H 1 4.570 0.001 . 1 . . . . A 6 DT H3' . 34159 1
51 . 1 1 6 6 DT H4' H 1 2.052 0.002 . 1 . . . . A 6 DT H4' . 34159 1
52 . 1 1 6 6 DT H5' H 1 3.392 0.001 . 2 . . . . A 6 DT H5' . 34159 1
53 . 1 1 6 6 DT H5'' H 1 3.612 0.000 . 2 . . . . A 6 DT H5'' . 34159 1
54 . 1 1 6 6 DT H6 H 1 6.960 0.001 . 1 . . . . A 6 DT H6 . 34159 1
55 . 1 1 6 6 DT H71 H 1 1.307 0.001 . 1 . . . . A 6 DT H71 . 34159 1
56 . 1 1 6 6 DT H72 H 1 1.307 0.001 . 1 . . . . A 6 DT H72 . 34159 1
57 . 1 1 6 6 DT H73 H 1 1.307 0.001 . 1 . . . . A 6 DT H73 . 34159 1
58 . 1 1 7 7 DA H1' H 1 5.507 0.001 . 1 . . . . A 7 DA H1' . 34159 1
59 . 1 1 7 7 DA H2 H 1 8.049 0.001 . 1 . . . . A 7 DA H2 . 34159 1
60 . 1 1 7 7 DA H2' H 1 2.175 0.000 . 1 . . . . A 7 DA H2' . 34159 1
61 . 1 1 7 7 DA H2'' H 1 2.685 0.001 . 1 . . . . A 7 DA H2'' . 34159 1
62 . 1 1 7 7 DA H3' H 1 4.674 0.001 . 1 . . . . A 7 DA H3' . 34159 1
63 . 1 1 7 7 DA H4' H 1 2.763 0.001 . 1 . . . . A 7 DA H4' . 34159 1
64 . 1 1 7 7 DA H5'' H 1 3.576 0.001 . 2 . . . . A 7 DA H5'' . 34159 1
65 . 1 1 7 7 DA H8 H 1 8.125 0.002 . 1 . . . . A 7 DA H8 . 34159 1
66 . 1 1 7 7 DA H61 H 1 8.451 0.001 . 1 . . . . A 7 DA H61 . 34159 1
67 . 1 1 7 7 DA H62 H 1 5.580 0.002 . 1 . . . . A 7 DA H62 . 34159 1
68 . 1 1 8 8 DC H1' H 1 5.311 0.002 . 1 . . . . A 8 DC H1' . 34159 1
69 . 1 1 8 8 DC H2' H 1 1.447 0.001 . 1 . . . . A 8 DC H2' . 34159 1
70 . 1 1 8 8 DC H2'' H 1 2.297 0.001 . 1 . . . . A 8 DC H2'' . 34159 1
71 . 1 1 8 8 DC H3' H 1 4.542 0.001 . 1 . . . . A 8 DC H3' . 34159 1
72 . 1 1 8 8 DC H4' H 1 2.191 0.001 . 1 . . . . A 8 DC H4' . 34159 1
73 . 1 1 8 8 DC H5 H 1 5.270 0.001 . 1 . . . . A 8 DC H5 . 34159 1
74 . 1 1 8 8 DC H6 H 1 6.875 0.002 . 1 . . . . A 8 DC H6 . 34159 1
75 . 1 1 8 8 DC H41 H 1 8.752 0.001 . 1 . . . . A 8 DC H41 . 34159 1
76 . 1 1 8 8 DC H42 H 1 6.402 0.001 . 1 . . . . A 8 DC H42 . 34159 1
77 . 1 1 9 9 DA H1' H 1 5.567 0.002 . 1 . . . . A 9 DA H1' . 34159 1
78 . 1 1 9 9 DA H2 H 1 7.733 0.001 . 1 . . . . A 9 DA H2 . 34159 1
79 . 1 1 9 9 DA H2' H 1 2.182 0.001 . 1 . . . . A 9 DA H2' . 34159 1
80 . 1 1 9 9 DA H2'' H 1 2.558 0.001 . 1 . . . . A 9 DA H2'' . 34159 1
81 . 1 1 9 9 DA H3' H 1 4.655 0.002 . 1 . . . . A 9 DA H3' . 34159 1
82 . 1 1 9 9 DA H4' H 1 2.671 0.001 . 1 . . . . A 9 DA H4' . 34159 1
83 . 1 1 9 9 DA H5' H 1 3.427 0.002 . 2 . . . . A 9 DA H5' . 34159 1
84 . 1 1 9 9 DA H5'' H 1 3.562 0.001 . 2 . . . . A 9 DA H5'' . 34159 1
85 . 1 1 9 9 DA H8 H 1 8.297 0.001 . 1 . . . . A 9 DA H8 . 34159 1
86 . 1 1 10 10 DT H1' H 1 5.684 0.002 . 1 . . . . A 10 DT H1' . 34159 1
87 . 1 1 10 10 DT H2' H 1 1.864 0.001 . 1 . . . . A 10 DT H2' . 34159 1
88 . 1 1 10 10 DT H2'' H 1 2.289 0.001 . 1 . . . . A 10 DT H2'' . 34159 1
89 . 1 1 10 10 DT H3 H 1 13.540 0.001 . 1 . . . . A 10 DT H3 . 34159 1
90 . 1 1 10 10 DT H3' H 1 4.766 0.001 . 1 . . . . A 10 DT H3' . 34159 1
91 . 1 1 10 10 DT H4' H 1 3.903 0.002 . 1 . . . . A 10 DT H4' . 34159 1
92 . 1 1 10 10 DT H6 H 1 6.964 0.001 . 1 . . . . A 10 DT H6 . 34159 1
93 . 1 1 10 10 DT H71 H 1 1.441 0.002 . 1 . . . . A 10 DT H71 . 34159 1
94 . 1 1 10 10 DT H72 H 1 1.441 0.002 . 1 . . . . A 10 DT H72 . 34159 1
95 . 1 1 10 10 DT H73 H 1 1.441 0.002 . 1 . . . . A 10 DT H73 . 34159 1
96 . 1 1 11 11 DC H1' H 1 5.734 0.001 . 1 . . . . A 11 DC H1' . 34159 1
97 . 1 1 11 11 DC H2' H 1 1.965 0.001 . 1 . . . . A 11 DC H2' . 34159 1
98 . 1 1 11 11 DC H2'' H 1 2.357 0.001 . 1 . . . . A 11 DC H2'' . 34159 1
99 . 1 1 11 11 DC H3' H 1 4.767 0.002 . 1 . . . . A 11 DC H3' . 34159 1
100 . 1 1 11 11 DC H4' H 1 4.113 0.000 . 1 . . . . A 11 DC H4' . 34159 1
101 . 1 1 11 11 DC H5 H 1 5.614 0.001 . 1 . . . . A 11 DC H5 . 34159 1
102 . 1 1 11 11 DC H6 H 1 7.408 0.002 . 1 . . . . A 11 DC H6 . 34159 1
103 . 1 1 11 11 DC H41 H 1 8.559 0.001 . 1 . . . . A 11 DC H41 . 34159 1
104 . 1 1 11 11 DC H42 H 1 6.910 0.001 . 1 . . . . A 11 DC H42 . 34159 1
105 . 1 1 12 12 DG H1' H 1 6.146 0.001 . 1 . . . . A 12 DG H1' . 34159 1
106 . 1 1 12 12 DG H2' H 1 2.359 0.000 . 1 . . . . A 12 DG H2' . 34159 1
107 . 1 1 12 12 DG H2'' H 1 2.587 0.000 . 1 . . . . A 12 DG H2'' . 34159 1
108 . 1 1 12 12 DG H3' H 1 4.674 0.001 . 1 . . . . A 12 DG H3' . 34159 1
109 . 1 1 12 12 DG H4' H 1 4.175 0.001 . 1 . . . . A 12 DG H4' . 34159 1
110 . 1 1 12 12 DG H5' H 1 3.622 0.000 . 2 . . . . A 12 DG H5' . 34159 1
111 . 1 1 12 12 DG H5'' H 1 3.750 0.000 . 2 . . . . A 12 DG H5'' . 34159 1
112 . 1 1 12 12 DG H8 H 1 7.925 0.001 . 1 . . . . A 12 DG H8 . 34159 1
113 . 2 1 1 1 DCZ H1' H 1 5.743 0.000 . 1 . . . . B 13 DCZ H1' . 34159 1
114 . 2 1 1 1 DCZ H2'1 H 1 1.969 0.001 . 1 . . . . B 13 DCZ H2'1 . 34159 1
115 . 2 1 1 1 DCZ H2'2 H 1 2.430 0.001 . 1 . . . . B 13 DCZ H2'2 . 34159 1
116 . 2 1 1 1 DCZ H3' H 1 4.726 0.002 . 1 . . . . B 13 DCZ H3' . 34159 1
117 . 2 1 1 1 DCZ H4' H 1 4.071 0.001 . 1 . . . . B 13 DCZ H4' . 34159 1
118 . 2 1 1 1 DCZ H5 H 1 5.911 0.001 . 1 . . . . B 13 DCZ H5 . 34159 1
119 . 2 1 1 1 DCZ H5'1 H 1 3.741 0.000 . 2 . . . . B 13 DCZ H5'1 . 34159 1
120 . 2 1 1 1 DCZ H6 H 1 7.645 0.001 . 1 . . . . B 13 DCZ H6 . 34159 1
121 . 2 1 2 2 DG H1 H 1 12.817 0.000 . 1 . . . . B 14 DG H1 . 34159 1
122 . 2 1 2 2 DG H1' H 1 5.665 0.002 . 1 . . . . B 14 DG H1' . 34159 1
123 . 2 1 2 2 DG H2' H 1 2.771 0.001 . 1 . . . . B 14 DG H2' . 34159 1
124 . 2 1 2 2 DG H2'' H 1 2.889 0.001 . 1 . . . . B 14 DG H2'' . 34159 1
125 . 2 1 2 2 DG H3' H 1 5.042 0.000 . 1 . . . . B 14 DG H3' . 34159 1
126 . 2 1 2 2 DG H4' H 1 4.365 0.001 . 1 . . . . B 14 DG H4' . 34159 1
127 . 2 1 2 2 DG H5' H 1 4.008 0.000 . 2 . . . . B 14 DG H5' . 34159 1
128 . 2 1 2 2 DG H5'' H 1 4.112 0.000 . 2 . . . . B 14 DG H5'' . 34159 1
129 . 2 1 2 2 DG H8 H 1 8.003 0.001 . 1 . . . . B 14 DG H8 . 34159 1
130 . 2 1 3 3 DA H1' H 1 6.323 0.002 . 1 . . . . B 15 DA H1' . 34159 1
131 . 2 1 3 3 DA H2 H 1 7.896 0.001 . 1 . . . . B 15 DA H2 . 34159 1
132 . 2 1 3 3 DA H2' H 1 2.701 0.001 . 1 . . . . B 15 DA H2' . 34159 1
133 . 2 1 3 3 DA H2'' H 1 2.978 0.001 . 1 . . . . B 15 DA H2'' . 34159 1
134 . 2 1 3 3 DA H3' H 1 5.101 0.001 . 1 . . . . B 15 DA H3' . 34159 1
135 . 2 1 3 3 DA H4' H 1 4.505 0.001 . 1 . . . . B 15 DA H4' . 34159 1
136 . 2 1 3 3 DA H5' H 1 4.262 0.000 . 2 . . . . B 15 DA H5' . 34159 1
137 . 2 1 3 3 DA H8 H 1 8.318 0.001 . 1 . . . . B 15 DA H8 . 34159 1
138 . 2 1 4 4 DT H1' H 1 5.618 0.001 . 1 . . . . B 16 DT H1' . 34159 1
139 . 2 1 4 4 DT H2' H 1 2.247 0.001 . 1 . . . . B 16 DT H2' . 34159 1
140 . 2 1 4 4 DT H2'' H 1 2.373 0.001 . 1 . . . . B 16 DT H2'' . 34159 1
141 . 2 1 4 4 DT H3 H 1 13.511 0.000 . 1 . . . . B 16 DT H3 . 34159 1
142 . 2 1 4 4 DT H3' H 1 4.923 0.002 . 1 . . . . B 16 DT H3' . 34159 1
143 . 2 1 4 4 DT H4' H 1 4.137 0.000 . 1 . . . . B 16 DT H4' . 34159 1
144 . 2 1 4 4 DT H6 H 1 7.274 0.001 . 1 . . . . B 16 DT H6 . 34159 1
145 . 2 1 4 4 DT H71 H 1 1.521 0.001 . 1 . . . . B 16 DT H71 . 34159 1
146 . 2 1 4 4 DT H72 H 1 1.521 0.001 . 1 . . . . B 16 DT H72 . 34159 1
147 . 2 1 4 4 DT H73 H 1 1.521 0.001 . 1 . . . . B 16 DT H73 . 34159 1
148 . 2 1 5 5 DG H1 H 1 12.745 0.002 . 1 . . . . B 17 DG H1 . 34159 1
149 . 2 1 5 5 DG H1' H 1 5.784 0.001 . 1 . . . . B 17 DG H1' . 34159 1
150 . 2 1 5 5 DG H2' H 1 2.638 0.001 . 2 . . . . B 17 DG H2' . 34159 1
151 . 2 1 5 5 DG H3' H 1 4.993 0.001 . 1 . . . . B 17 DG H3' . 34159 1
152 . 2 1 5 5 DG H4' H 1 4.262 0.001 . 1 . . . . B 17 DG H4' . 34159 1
153 . 2 1 5 5 DG H5' H 1 3.624 0.000 . 2 . . . . B 17 DG H5' . 34159 1
154 . 2 1 5 5 DG H5'' H 1 3.753 0.000 . 2 . . . . B 17 DG H5'' . 34159 1
155 . 2 1 5 5 DG H8 H 1 8.006 0.002 . 1 . . . . B 17 DG H8 . 34159 1
156 . 2 1 5 5 DG H21 H 1 8.521 0.001 . 1 . . . . B 17 DG H21 . 34159 1
157 . 2 1 5 5 DG H22 H 1 7.285 0.002 . 1 . . . . B 17 DG H22 . 34159 1
158 . 2 1 6 6 DT H1' H 1 5.197 0.001 . 1 . . . . B 18 DT H1' . 34159 1
159 . 2 1 6 6 DT H2' H 1 1.701 0.001 . 1 . . . . B 18 DT H2' . 34159 1
160 . 2 1 6 6 DT H2'' H 1 2.234 0.002 . 1 . . . . B 18 DT H2'' . 34159 1
161 . 2 1 6 6 DT H3 H 1 12.863 0.001 . 1 . . . . B 18 DT H3 . 34159 1
162 . 2 1 6 6 DT H3' H 1 4.622 0.002 . 1 . . . . B 18 DT H3' . 34159 1
163 . 2 1 6 6 DT H4' H 1 2.047 0.002 . 1 . . . . B 18 DT H4' . 34159 1
164 . 2 1 6 6 DT H5' H 1 3.433 0.002 . 2 . . . . B 18 DT H5' . 34159 1
165 . 2 1 6 6 DT H5'' H 1 3.560 0.000 . 2 . . . . B 18 DT H5'' . 34159 1
166 . 2 1 6 6 DT H6 H 1 6.973 0.002 . 1 . . . . B 18 DT H6 . 34159 1
167 . 2 1 6 6 DT H71 H 1 1.449 0.002 . 1 . . . . B 18 DT H71 . 34159 1
168 . 2 1 6 6 DT H72 H 1 1.449 0.002 . 1 . . . . B 18 DT H72 . 34159 1
169 . 2 1 6 6 DT H73 H 1 1.449 0.002 . 1 . . . . B 18 DT H73 . 34159 1
170 . 2 1 7 7 DA H1' H 1 5.516 0.001 . 1 . . . . B 19 DA H1' . 34159 1
171 . 2 1 7 7 DA H2 H 1 8.019 0.001 . 1 . . . . B 19 DA H2 . 34159 1
172 . 2 1 7 7 DA H2' H 1 2.174 0.000 . 1 . . . . B 19 DA H2' . 34159 1
173 . 2 1 7 7 DA H2'' H 1 2.702 0.001 . 1 . . . . B 19 DA H2'' . 34159 1
174 . 2 1 7 7 DA H3' H 1 4.666 0.001 . 1 . . . . B 19 DA H3' . 34159 1
175 . 2 1 7 7 DA H4' H 1 2.607 0.001 . 1 . . . . B 19 DA H4' . 34159 1
176 . 2 1 7 7 DA H5' H 1 3.434 0.000 . 1 . . . . B 19 DA H5' . 34159 1
177 . 2 1 7 7 DA H5'' H 1 3.566 0.000 . 1 . . . . B 19 DA H5'' . 34159 1
178 . 2 1 7 7 DA H8 H 1 8.145 0.001 . 1 . . . . B 19 DA H8 . 34159 1
179 . 2 1 7 7 DA H61 H 1 8.541 0.001 . 1 . . . . B 19 DA H61 . 34159 1
180 . 2 1 7 7 DA H62 H 1 5.574 0.002 . 1 . . . . B 19 DA H62 . 34159 1
181 . 2 1 8 8 DC H1' H 1 5.320 0.002 . 1 . . . . B 20 DC H1' . 34159 1
182 . 2 1 8 8 DC H2' H 1 1.482 0.001 . 1 . . . . B 20 DC H2' . 34159 1
183 . 2 1 8 8 DC H2'' H 1 2.280 0.001 . 1 . . . . B 20 DC H2'' . 34159 1
184 . 2 1 8 8 DC H3' H 1 4.545 0.002 . 1 . . . . B 20 DC H3' . 34159 1
185 . 2 1 8 8 DC H4' H 1 2.219 0.001 . 1 . . . . B 20 DC H4' . 34159 1
186 . 2 1 8 8 DC H5 H 1 5.273 0.002 . 1 . . . . B 20 DC H5 . 34159 1
187 . 2 1 8 8 DC H6 H 1 6.869 0.001 . 1 . . . . B 20 DC H6 . 34159 1
188 . 2 1 8 8 DC H41 H 1 8.716 0.001 . 1 . . . . B 20 DC H41 . 34159 1
189 . 2 1 8 8 DC H42 H 1 6.423 0.002 . 1 . . . . B 20 DC H42 . 34159 1
190 . 2 1 9 9 DA H1' H 1 5.491 0.001 . 1 . . . . B 21 DA H1' . 34159 1
191 . 2 1 9 9 DA H2 H 1 7.705 0.001 . 1 . . . . B 21 DA H2 . 34159 1
192 . 2 1 9 9 DA H2' H 1 2.181 0.001 . 1 . . . . B 21 DA H2' . 34159 1
193 . 2 1 9 9 DA H2'' H 1 2.482 0.002 . 1 . . . . B 21 DA H2'' . 34159 1
194 . 2 1 9 9 DA H3' H 1 4.638 0.001 . 1 . . . . B 21 DA H3' . 34159 1
195 . 2 1 9 9 DA H4' H 1 2.833 0.001 . 1 . . . . B 21 DA H4' . 34159 1
196 . 2 1 9 9 DA H5' H 1 3.446 0.002 . 2 . . . . B 21 DA H5' . 34159 1
197 . 2 1 9 9 DA H5'' H 1 3.570 0.002 . 2 . . . . B 21 DA H5'' . 34159 1
198 . 2 1 9 9 DA H8 H 1 8.288 0.001 . 1 . . . . B 21 DA H8 . 34159 1
199 . 2 1 10 10 DT H1' H 1 5.727 0.002 . 1 . . . . B 22 DT H1' . 34159 1
200 . 2 1 10 10 DT H2' H 1 1.830 0.001 . 1 . . . . B 22 DT H2' . 34159 1
201 . 2 1 10 10 DT H2'' H 1 2.094 0.001 . 1 . . . . B 22 DT H2'' . 34159 1
202 . 2 1 10 10 DT H3 H 1 13.808 0.001 . 1 . . . . B 22 DT H3 . 34159 1
203 . 2 1 10 10 DT H3' H 1 4.777 0.001 . 1 . . . . B 22 DT H3' . 34159 1
204 . 2 1 10 10 DT H4' H 1 3.752 0.002 . 1 . . . . B 22 DT H4' . 34159 1
205 . 2 1 10 10 DT H6 H 1 6.952 0.001 . 1 . . . . B 22 DT H6 . 34159 1
206 . 2 1 10 10 DT H71 H 1 1.368 0.001 . 1 . . . . B 22 DT H71 . 34159 1
207 . 2 1 10 10 DT H72 H 1 1.368 0.001 . 1 . . . . B 22 DT H72 . 34159 1
208 . 2 1 10 10 DT H73 H 1 1.368 0.001 . 1 . . . . B 22 DT H73 . 34159 1
209 . 2 1 11 11 DC H1' H 1 5.487 0.001 . 1 . . . . B 23 DC H1' . 34159 1
210 . 2 1 11 11 DC H2' H 1 2.098 0.002 . 1 . . . . B 23 DC H2' . 34159 1
211 . 2 1 11 11 DC H2'' H 1 2.306 0.001 . 1 . . . . B 23 DC H2'' . 34159 1
212 . 2 1 11 11 DC H3' H 1 4.789 0.002 . 1 . . . . B 23 DC H3' . 34159 1
213 . 2 1 11 11 DC H4' H 1 4.110 0.000 . 1 . . . . B 23 DC H4' . 34159 1
214 . 2 1 11 11 DC H5 H 1 5.655 0.001 . 1 . . . . B 23 DC H5 . 34159 1
215 . 2 1 11 11 DC H6 H 1 7.461 0.002 . 1 . . . . B 23 DC H6 . 34159 1
216 . 2 1 11 11 DC H41 H 1 8.630 0.002 . 1 . . . . B 23 DC H41 . 34159 1
217 . 2 1 11 11 DC H42 H 1 6.954 0.001 . 1 . . . . B 23 DC H42 . 34159 1
218 . 2 1 12 12 DG H1' H 1 6.171 0.001 . 1 . . . . B 24 DG H1' . 34159 1
219 . 2 1 12 12 DG H2' H 1 2.395 0.000 . 1 . . . . B 24 DG H2' . 34159 1
220 . 2 1 12 12 DG H2'' H 1 2.616 0.000 . 1 . . . . B 24 DG H2'' . 34159 1
221 . 2 1 12 12 DG H3' H 1 4.683 0.000 . 1 . . . . B 24 DG H3' . 34159 1
222 . 2 1 12 12 DG H4' H 1 4.160 0.001 . 1 . . . . B 24 DG H4' . 34159 1
223 . 2 1 12 12 DG H5' H 1 3.621 0.000 . 2 . . . . B 24 DG H5' . 34159 1
224 . 2 1 12 12 DG H5'' H 1 3.752 0.000 . 2 . . . . B 24 DG H5'' . 34159 1
225 . 2 1 12 12 DG H8 H 1 7.937 0.001 . 1 . . . . B 24 DG H8 . 34159 1
226 . 3 2 1 1 9TK H83 H 1 7.170 0.001 . 1 . . . . A 101 9TK H83 . 34159 1
227 . 3 2 1 1 9TK H84 H 1 7.057 0.001 . 1 . . . . A 101 9TK H84 . 34159 1
228 . 3 2 1 1 9TK H881 H 1 3.962 0.001 . 1 . . . . A 101 9TK H881 . 34159 1
229 . 4 3 1 1 PYB H H 1 9.713 0.001 . 1 . . . . A 102 PYB H . 34159 1
230 . 4 3 1 1 PYB HB1 H 1 6.036 0.001 . 1 . . . . A 102 PYB HB1 . 34159 1
231 . 4 3 1 1 PYB HB H 1 7.560 0.001 . 1 . . . . A 102 PYB HB . 34159 1
232 . 4 3 1 1 PYB HD1 H 1 3.901 0.001 . 1 . . . . A 102 PYB HD1 . 34159 1
233 . 5 3 1 1 PYB H H 1 10.442 0.002 . 1 . . . . A 103 PYB H . 34159 1
234 . 5 3 1 1 PYB HB1 H 1 6.216 0.002 . 1 . . . . A 103 PYB HB1 . 34159 1
235 . 5 3 1 1 PYB HB H 1 7.608 0.002 . 1 . . . . A 103 PYB HB . 34159 1
236 . 5 3 1 1 PYB HD1 H 1 3.784 0.001 . 1 . . . . A 103 PYB HD1 . 34159 1
237 . 6 3 1 1 PYB H H 1 9.140 0.001 . 1 . . . . A 104 PYB H . 34159 1
238 . 6 3 1 1 PYB HB1 H 1 6.444 0.001 . 1 . . . . A 104 PYB HB1 . 34159 1
239 . 6 3 1 1 PYB HB H 1 7.094 0.001 . 1 . . . . A 104 PYB HB . 34159 1
240 . 6 3 1 1 PYB HD1 H 1 3.566 0.001 . 1 . . . . A 104 PYB HD1 . 34159 1
241 . 7 4 1 1 ABU H H 1 8.244 0.002 . 1 . . . . A 105 ABU H . 34159 1
242 . 7 4 1 1 ABU HG1 H 1 1.583 0.002 . 2 . . . . A 105 ABU HG1 . 34159 1
243 . 7 4 1 1 ABU HG2 H 1 2.500 0.001 . 2 . . . . A 105 ABU HG2 . 34159 1
244 . 7 4 1 1 ABU HB1 H 1 2.163 0.001 . 2 . . . . A 105 ABU HB1 . 34159 1
245 . 7 4 1 1 ABU HB2 H 1 2.292 0.001 . 2 . . . . A 105 ABU HB2 . 34159 1
246 . 7 4 1 1 ABU HA2 H 1 2.764 0.002 . 2 . . . . A 105 ABU HA2 . 34159 1
247 . 7 4 1 1 ABU HA1 H 1 3.444 0.001 . 2 . . . . A 105 ABU HA1 . 34159 1
248 . 8 5 1 1 IMT H H 1 10.457 0.001 . 1 . . . . A 106 IMT H . 34159 1
249 . 8 5 1 1 IMT HB H 1 7.464 0.001 . 1 . . . . A 106 IMT HB . 34159 1
250 . 8 5 1 1 IMT HD1 H 1 3.944 0.001 . 1 . . . . A 106 IMT HD1 . 34159 1
251 . 9 3 1 1 PYB H H 1 9.821 0.001 . 1 . . . . A 107 PYB H . 34159 1
252 . 9 3 1 1 PYB HB1 H 1 6.190 0.001 . 1 . . . . A 107 PYB HB1 . 34159 1
253 . 9 3 1 1 PYB HB H 1 7.607 0.001 . 1 . . . . A 107 PYB HB . 34159 1
254 . 9 3 1 1 PYB HD1 H 1 3.860 0.002 . 1 . . . . A 107 PYB HD1 . 34159 1
255 . 10 3 1 1 PYB H H 1 10.670 0.001 . 1 . . . . A 108 PYB H . 34159 1
256 . 10 3 1 1 PYB HB1 H 1 6.328 0.002 . 1 . . . . A 108 PYB HB1 . 34159 1
257 . 10 3 1 1 PYB HB H 1 7.527 0.001 . 1 . . . . A 108 PYB HB . 34159 1
258 . 10 3 1 1 PYB HD1 H 1 3.711 0.001 . 1 . . . . A 108 PYB HD1 . 34159 1
259 . 11 3 1 1 PYB H H 1 9.303 0.001 . 1 . . . . A 109 PYB H . 34159 1
260 . 11 3 1 1 PYB HB1 H 1 6.305 0.001 . 1 . . . . A 109 PYB HB1 . 34159 1
261 . 11 3 1 1 PYB HB H 1 7.105 0.001 . 1 . . . . A 109 PYB HB . 34159 1
262 . 11 3 1 1 PYB HD1 H 1 3.617 0.001 . 1 . . . . A 109 PYB HD1 . 34159 1
263 . 12 6 1 1 9T8 H031 H 1 3.151 0.002 . 2 . . . . A 110 9T8 H031 . 34159 1
264 . 12 6 1 1 9T8 H032 H 1 3.170 0.000 . 2 . . . . A 110 9T8 H032 . 34159 1
265 . 12 6 1 1 9T8 H041 H 1 1.938 0.002 . 2 . . . . A 110 9T8 H041 . 34159 1
266 . 12 6 1 1 9T8 H042 H 1 2.126 0.001 . 2 . . . . A 110 9T8 H042 . 34159 1
267 . 12 6 1 1 9T8 H051 H 1 2.952 0.002 . 2 . . . . A 110 9T8 H051 . 34159 1
268 . 12 6 1 1 9T8 H052 H 1 3.619 0.001 . 2 . . . . A 110 9T8 H052 . 34159 1
269 . 12 6 1 1 9T8 H071 H 1 1.664 0.002 . 2 . . . . A 110 9T8 H071 . 34159 1
270 . 12 6 1 1 9T8 H072 H 1 2.154 0.002 . 2 . . . . A 110 9T8 H072 . 34159 1
271 . 12 6 1 1 9T8 H081 H 1 2.886 0.001 . 2 . . . . A 110 9T8 H081 . 34159 1
272 . 12 6 1 1 9T8 H082 H 1 3.791 0.001 . 2 . . . . A 110 9T8 H082 . 34159 1
273 . 12 6 1 1 9T8 HN02 H 1 8.094 0.002 . 1 . . . . A 110 9T8 HN02 . 34159 1
274 . 12 6 1 1 9T8 H1 H 1 9.138 0.001 . 1 . . . . A 110 9T8 H1 . 34159 1
stop_
save_
###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34159
_Assigned_chem_shift_list.ID 2
_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' . . . 34159 2
2 '2D 1H-1H NOESY' . . . 34159 2
3 '2D DQF-COSY' . . . 34159 2
4 '2D 1H-1H TOCSY' . . . 34159 2
5 '2D 1H-13C HSQC' . . . 34159 2
6 '2D 1H-31P COSY' . . . 34159 2
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 DCZ H1' H 1 5.764 0.000 . 1 . . . . A 1 DCZ H1' . 34159 2
2 . 1 1 1 1 DCZ H3' H 1 4.711 0.000 . 1 . . . . A 1 DCZ H3' . 34159 2
3 . 1 1 1 1 DCZ H4' H 1 4.063 0.000 . 1 . . . . A 1 DCZ H4' . 34159 2
4 . 1 1 1 1 DCZ H5 H 1 5.875 0.000 . 1 . . . . A 1 DCZ H5 . 34159 2
5 . 1 1 1 1 DCZ H6 H 1 7.590 0.000 . 1 . . . . A 1 DCZ H6 . 34159 2
6 . 1 1 1 1 DCZ C1' C 13 85.295 0.000 . 1 . . . . A 1 DCZ C1' . 34159 2
7 . 1 1 1 1 DCZ C3' C 13 75.717 0.000 . 1 . . . . A 1 DCZ C3' . 34159 2
8 . 1 1 1 1 DCZ C4' C 13 85.781 0.000 . 1 . . . . A 1 DCZ C4' . 34159 2
9 . 1 1 1 1 DCZ C5 C 13 96.949 0.000 . 1 . . . . A 1 DCZ C5 . 34159 2
10 . 1 1 1 1 DCZ C6 C 13 140.487 0.000 . 1 . . . . A 1 DCZ C6 . 34159 2
11 . 1 1 2 2 DG H1' H 1 5.438 0.000 . 1 . . . . A 2 DG H1' . 34159 2
12 . 1 1 2 2 DG H3' H 1 5.043 0.000 . 1 . . . . A 2 DG H3' . 34159 2
13 . 1 1 2 2 DG H4' H 1 4.328 0.001 . 1 . . . . A 2 DG H4' . 34159 2
14 . 1 1 2 2 DG H8 H 1 8.019 0.000 . 1 . . . . A 2 DG H8 . 34159 2
15 . 1 1 2 2 DG C1' C 13 81.377 0.000 . 1 . . . . A 2 DG C1' . 34159 2
16 . 1 1 2 2 DG C3' C 13 76.541 0.000 . 1 . . . . A 2 DG C3' . 34159 2
17 . 1 1 2 2 DG C4' C 13 84.690 0.000 . 1 . . . . A 2 DG C4' . 34159 2
18 . 1 1 2 2 DG C8 C 13 135.513 0.000 . 1 . . . . A 2 DG C8 . 34159 2
19 . 1 1 2 2 DG P P 31 -1.087 0.001 . 1 . . . . A 2 DG P . 34159 2
20 . 1 1 3 3 DA H1' H 1 6.352 0.000 . 1 . . . . A 3 DA H1' . 34159 2
21 . 1 1 3 3 DA H2 H 1 7.961 0.000 . 1 . . . . A 3 DA H2 . 34159 2
22 . 1 1 3 3 DA H3' H 1 5.137 0.001 . 1 . . . . A 3 DA H3' . 34159 2
23 . 1 1 3 3 DA H4' H 1 4.523 0.001 . 1 . . . . A 3 DA H4' . 34159 2
24 . 1 1 3 3 DA H8 H 1 8.441 0.000 . 1 . . . . A 3 DA H8 . 34159 2
25 . 1 1 3 3 DA C1' C 13 82.052 0.000 . 1 . . . . A 3 DA C1' . 34159 2
26 . 1 1 3 3 DA C2 C 13 151.993 0.000 . 1 . . . . A 3 DA C2 . 34159 2
27 . 1 1 3 3 DA C3' C 13 77.353 0.000 . 1 . . . . A 3 DA C3' . 34159 2
28 . 1 1 3 3 DA C4' C 13 85.172 0.000 . 1 . . . . A 3 DA C4' . 34159 2
29 . 1 1 3 3 DA C8 C 13 138.739 0.000 . 1 . . . . A 3 DA C8 . 34159 2
30 . 1 1 3 3 DA P P 31 -0.858 0.001 . 1 . . . . A 3 DA P . 34159 2
31 . 1 1 4 4 DT H1' H 1 5.725 0.000 . 1 . . . . A 4 DT H1' . 34159 2
32 . 1 1 4 4 DT H3' H 1 5.044 0.002 . 1 . . . . A 4 DT H3' . 34159 2
33 . 1 1 4 4 DT H4' H 1 4.270 0.002 . 1 . . . . A 4 DT H4' . 34159 2
34 . 1 1 4 4 DT H6 H 1 7.428 0.000 . 1 . . . . A 4 DT H6 . 34159 2
35 . 1 1 4 4 DT H71 H 1 1.545 0.000 . 1 . . . . A 4 DT H71 . 34159 2
36 . 1 1 4 4 DT H72 H 1 1.545 0.000 . 1 . . . . A 4 DT H72 . 34159 2
37 . 1 1 4 4 DT H73 H 1 1.545 0.000 . 1 . . . . A 4 DT H73 . 34159 2
38 . 1 1 4 4 DT C1' C 13 83.344 0.000 . 1 . . . . A 4 DT C1' . 34159 2
39 . 1 1 4 4 DT C3' C 13 75.523 0.000 . 1 . . . . A 4 DT C3' . 34159 2
40 . 1 1 4 4 DT C4' C 13 84.906 0.000 . 1 . . . . A 4 DT C4' . 34159 2
41 . 1 1 4 4 DT C6 C 13 136.280 0.000 . 1 . . . . A 4 DT C6 . 34159 2
42 . 1 1 4 4 DT C7 C 13 11.357 0.000 . 1 . . . . A 4 DT C7 . 34159 2
43 . 1 1 4 4 DT P P 31 -1.466 0.001 . 1 . . . . A 4 DT P . 34159 2
44 . 1 1 5 5 DG H1' H 1 5.988 0.000 . 1 . . . . A 5 DG H1' . 34159 2
45 . 1 1 5 5 DG H3' H 1 5.032 0.001 . 1 . . . . A 5 DG H3' . 34159 2
46 . 1 1 5 5 DG H4' H 1 4.220 0.001 . 1 . . . . A 5 DG H4' . 34159 2
47 . 1 1 5 5 DG H8 H 1 7.974 0.000 . 1 . . . . A 5 DG H8 . 34159 2
48 . 1 1 5 5 DG C1' C 13 82.557 0.000 . 1 . . . . A 5 DG C1' . 34159 2
49 . 1 1 5 5 DG C3' C 13 78.753 0.000 . 1 . . . . A 5 DG C3' . 34159 2
50 . 1 1 5 5 DG C4' C 13 84.913 0.000 . 1 . . . . A 5 DG C4' . 34159 2
51 . 1 1 5 5 DG C8 C 13 135.756 0.000 . 1 . . . . A 5 DG C8 . 34159 2
52 . 1 1 5 5 DG P P 31 -0.364 0.002 . 1 . . . . A 5 DG P . 34159 2
53 . 1 1 6 6 DT H1' H 1 4.972 0.000 . 1 . . . . A 6 DT H1' . 34159 2
54 . 1 1 6 6 DT H3' H 1 4.579 0.002 . 1 . . . . A 6 DT H3' . 34159 2
55 . 1 1 6 6 DT H4' H 1 2.067 0.001 . 1 . . . . A 6 DT H4' . 34159 2
56 . 1 1 6 6 DT H6 H 1 6.966 0.000 . 1 . . . . A 6 DT H6 . 34159 2
57 . 1 1 6 6 DT H71 H 1 1.306 0.000 . 1 . . . . A 6 DT H71 . 34159 2
58 . 1 1 6 6 DT H72 H 1 1.306 0.000 . 1 . . . . A 6 DT H72 . 34159 2
59 . 1 1 6 6 DT H73 H 1 1.306 0.000 . 1 . . . . A 6 DT H73 . 34159 2
60 . 1 1 6 6 DT C1' C 13 81.831 0.000 . 1 . . . . A 6 DT C1' . 34159 2
61 . 1 1 6 6 DT C3' C 13 73.676 0.000 . 1 . . . . A 6 DT C3' . 34159 2
62 . 1 1 6 6 DT C4' C 13 80.825 0.000 . 1 . . . . A 6 DT C4' . 34159 2
63 . 1 1 6 6 DT C6 C 13 136.531 0.000 . 1 . . . . A 6 DT C6 . 34159 2
64 . 1 1 6 6 DT C7 C 13 11.537 0.000 . 1 . . . . A 6 DT C7 . 34159 2
65 . 1 1 6 6 DT P P 31 -1.115 0.001 . 1 . . . . A 6 DT P . 34159 2
66 . 1 1 7 7 DA H1' H 1 5.508 0.000 . 1 . . . . A 7 DA H1' . 34159 2
67 . 1 1 7 7 DA H2 H 1 8.054 0.000 . 1 . . . . A 7 DA H2 . 34159 2
68 . 1 1 7 7 DA H3' H 1 4.679 0.002 . 1 . . . . A 7 DA H3' . 34159 2
69 . 1 1 7 7 DA H4' H 1 2.771 0.002 . 1 . . . . A 7 DA H4' . 34159 2
70 . 1 1 7 7 DA H8 H 1 8.126 0.000 . 1 . . . . A 7 DA H8 . 34159 2
71 . 1 1 7 7 DA C1' C 13 80.742 0.000 . 1 . . . . A 7 DA C1' . 34159 2
72 . 1 1 7 7 DA C2 C 13 152.048 0.000 . 1 . . . . A 7 DA C2 . 34159 2
73 . 1 1 7 7 DA C3' C 13 76.152 0.000 . 1 . . . . A 7 DA C3' . 34159 2
74 . 1 1 7 7 DA C4' C 13 82.987 0.000 . 1 . . . . A 7 DA C4' . 34159 2
75 . 1 1 7 7 DA C8 C 13 139.643 0.000 . 1 . . . . A 7 DA C8 . 34159 2
76 . 1 1 7 7 DA P P 31 -1.522 0.001 . 1 . . . . A 7 DA P . 34159 2
77 . 1 1 8 8 DC H1' H 1 5.314 0.000 . 1 . . . . A 8 DC H1' . 34159 2
78 . 1 1 8 8 DC H3' H 1 4.542 0.000 . 1 . . . . A 8 DC H3' . 34159 2
79 . 1 1 8 8 DC H4' H 1 2.208 0.001 . 1 . . . . A 8 DC H4' . 34159 2
80 . 1 1 8 8 DC H5 H 1 5.262 0.000 . 1 . . . . A 8 DC H5 . 34159 2
81 . 1 1 8 8 DC H6 H 1 6.880 0.000 . 1 . . . . A 8 DC H6 . 34159 2
82 . 1 1 8 8 DC C1' C 13 81.575 0.000 . 1 . . . . A 8 DC C1' . 34159 2
83 . 1 1 8 8 DC C3' C 13 72.783 0.000 . 1 . . . . A 8 DC C3' . 34159 2
84 . 1 1 8 8 DC C4' C 13 80.808 0.000 . 1 . . . . A 8 DC C4' . 34159 2
85 . 1 1 8 8 DC C5 C 13 96.141 0.000 . 1 . . . . A 8 DC C5 . 34159 2
86 . 1 1 8 8 DC C6 C 13 139.822 0.000 . 1 . . . . A 8 DC C6 . 34159 2
87 . 1 1 8 8 DC P P 31 -1.856 0.001 . 1 . . . . A 8 DC P . 34159 2
88 . 1 1 9 9 DA H1' H 1 5.571 0.000 . 1 . . . . A 9 DA H1' . 34159 2
89 . 1 1 9 9 DA H2 H 1 7.734 0.000 . 1 . . . . A 9 DA H2 . 34159 2
90 . 1 1 9 9 DA H3' H 1 4.656 0.000 . 1 . . . . A 9 DA H3' . 34159 2
91 . 1 1 9 9 DA H4' H 1 2.680 0.002 . 1 . . . . A 9 DA H4' . 34159 2
92 . 1 1 9 9 DA H8 H 1 8.297 0.000 . 1 . . . . A 9 DA H8 . 34159 2
93 . 1 1 9 9 DA C1' C 13 80.521 0.000 . 1 . . . . A 9 DA C1' . 34159 2
94 . 1 1 9 9 DA C2 C 13 151.453 0.000 . 1 . . . . A 9 DA C2 . 34159 2
95 . 1 1 9 9 DA C3' C 13 74.216 0.000 . 1 . . . . A 9 DA C3' . 34159 2
96 . 1 1 9 9 DA C4' C 13 82.414 0.000 . 1 . . . . A 9 DA C4' . 34159 2
97 . 1 1 9 9 DA C8 C 13 139.458 0.000 . 1 . . . . A 9 DA C8 . 34159 2
98 . 1 1 9 9 DA P P 31 -1.946 0.000 . 1 . . . . A 9 DA P . 34159 2
99 . 1 1 10 10 DT H1' H 1 5.681 0.000 . 1 . . . . A 10 DT H1' . 34159 2
100 . 1 1 10 10 DT H3' H 1 4.765 0.002 . 1 . . . . A 10 DT H3' . 34159 2
101 . 1 1 10 10 DT H4' H 1 3.909 0.002 . 1 . . . . A 10 DT H4' . 34159 2
102 . 1 1 10 10 DT H6 H 1 6.963 0.000 . 1 . . . . A 10 DT H6 . 34159 2
103 . 1 1 10 10 DT H71 H 1 1.441 0.000 . 1 . . . . A 10 DT H71 . 34159 2
104 . 1 1 10 10 DT H72 H 1 1.441 0.000 . 1 . . . . A 10 DT H72 . 34159 2
105 . 1 1 10 10 DT H73 H 1 1.441 0.000 . 1 . . . . A 10 DT H73 . 34159 2
106 . 1 1 10 10 DT C1' C 13 81.397 0.000 . 1 . . . . A 10 DT C1' . 34159 2
107 . 1 1 10 10 DT C3' C 13 73.037 0.000 . 1 . . . . A 10 DT C3' . 34159 2
108 . 1 1 10 10 DT C4' C 13 81.754 0.000 . 1 . . . . A 10 DT C4' . 34159 2
109 . 1 1 10 10 DT C6 C 13 135.879 0.000 . 1 . . . . A 10 DT C6 . 34159 2
110 . 1 1 10 10 DT C7 C 13 11.274 0.000 . 1 . . . . A 10 DT C7 . 34159 2
111 . 1 1 10 10 DT P P 31 -1.828 0.000 . 1 . . . . A 10 DT P . 34159 2
112 . 1 1 11 11 DC H1' H 1 5.736 0.000 . 1 . . . . A 11 DC H1' . 34159 2
113 . 1 1 11 11 DC H3' H 1 4.791 0.000 . 1 . . . . A 11 DC H3' . 34159 2
114 . 1 1 11 11 DC H4' H 1 4.116 0.002 . 1 . . . . A 11 DC H4' . 34159 2
115 . 1 1 11 11 DC H5 H 1 5.612 0.000 . 1 . . . . A 11 DC H5 . 34159 2
116 . 1 1 11 11 DC H6 H 1 7.412 0.000 . 1 . . . . A 11 DC H6 . 34159 2
117 . 1 1 11 11 DC C1' C 13 83.607 0.000 . 1 . . . . A 11 DC C1' . 34159 2
118 . 1 1 11 11 DC C3' C 13 75.108 0.000 . 1 . . . . A 11 DC C3' . 34159 2
119 . 1 1 11 11 DC C4' C 13 83.442 0.000 . 1 . . . . A 11 DC C4' . 34159 2
120 . 1 1 11 11 DC C5 C 13 95.960 0.000 . 1 . . . . A 11 DC C5 . 34159 2
121 . 1 1 11 11 DC C6 C 13 141.070 0.000 . 1 . . . . A 11 DC C6 . 34159 2
122 . 1 1 11 11 DC P P 31 -1.182 0.002 . 1 . . . . A 11 DC P . 34159 2
123 . 1 1 12 12 DG H1' H 1 6.147 0.000 . 1 . . . . A 12 DG H1' . 34159 2
124 . 1 1 12 12 DG H3' H 1 4.671 0.000 . 1 . . . . A 12 DG H3' . 34159 2
125 . 1 1 12 12 DG H4' H 1 4.181 0.002 . 1 . . . . A 12 DG H4' . 34159 2
126 . 1 1 12 12 DG H8 H 1 7.930 0.000 . 1 . . . . A 12 DG H8 . 34159 2
127 . 1 1 12 12 DG C1' C 13 82.043 0.000 . 1 . . . . A 12 DG C1' . 34159 2
128 . 1 1 12 12 DG C3' C 13 70.708 0.000 . 1 . . . . A 12 DG C3' . 34159 2
129 . 1 1 12 12 DG C4' C 13 85.355 0.000 . 1 . . . . A 12 DG C4' . 34159 2
130 . 1 1 12 12 DG C8 C 13 136.201 0.000 . 1 . . . . A 12 DG C8 . 34159 2
131 . 1 1 12 12 DG P P 31 -0.951 0.000 . 1 . . . . A 12 DG P . 34159 2
132 . 2 1 1 1 DCZ H1' H 1 5.746 0.000 . 1 . . . . B 13 DCZ H1' . 34159 2
133 . 2 1 1 1 DCZ H3' H 1 4.727 0.002 . 1 . . . . B 13 DCZ H3' . 34159 2
134 . 2 1 1 1 DCZ H4' H 1 4.070 0.000 . 1 . . . . B 13 DCZ H4' . 34159 2
135 . 2 1 1 1 DCZ H5 H 1 5.912 0.000 . 1 . . . . B 13 DCZ H5 . 34159 2
136 . 2 1 1 1 DCZ H6 H 1 7.643 0.000 . 1 . . . . B 13 DCZ H6 . 34159 2
137 . 2 1 1 1 DCZ C1' C 13 85.295 0.000 . 1 . . . . B 13 DCZ C1' . 34159 2
138 . 2 1 1 1 DCZ C3' C 13 75.093 0.000 . 1 . . . . B 13 DCZ C3' . 34159 2
139 . 2 1 1 1 DCZ C4' C 13 85.536 0.000 . 1 . . . . B 13 DCZ C4' . 34159 2
140 . 2 1 1 1 DCZ C5 C 13 96.847 0.000 . 1 . . . . B 13 DCZ C5 . 34159 2
141 . 2 1 1 1 DCZ C6 C 13 140.555 0.000 . 1 . . . . B 13 DCZ C6 . 34159 2
142 . 2 1 2 2 DG H3' H 1 5.049 0.002 . 1 . . . . B 14 DG H3' . 34159 2
143 . 2 1 2 2 DG H4' H 1 4.371 0.002 . 1 . . . . B 14 DG H4' . 34159 2
144 . 2 1 2 2 DG H8 H 1 8.010 0.000 . 1 . . . . B 14 DG H8 . 34159 2
145 . 2 1 2 2 DG C3' C 13 77.183 0.000 . 1 . . . . B 14 DG C3' . 34159 2
146 . 2 1 2 2 DG C4' C 13 84.710 0.000 . 1 . . . . B 14 DG C4' . 34159 2
147 . 2 1 2 2 DG C8 C 13 136.826 0.000 . 1 . . . . B 14 DG C8 . 34159 2
148 . 2 1 2 2 DG P P 31 -1.087 0.001 . 1 . . . . B 14 DG P . 34159 2
149 . 2 1 3 3 DA H1' H 1 6.321 0.000 . 1 . . . . B 15 DA H1' . 34159 2
150 . 2 1 3 3 DA H2 H 1 7.894 0.000 . 1 . . . . B 15 DA H2 . 34159 2
151 . 2 1 3 3 DA H3' H 1 5.109 0.002 . 1 . . . . B 15 DA H3' . 34159 2
152 . 2 1 3 3 DA H4' H 1 4.511 0.001 . 1 . . . . B 15 DA H4' . 34159 2
153 . 2 1 3 3 DA H8 H 1 8.319 0.000 . 1 . . . . B 15 DA H8 . 34159 2
154 . 2 1 3 3 DA C1' C 13 82.196 0.000 . 1 . . . . B 15 DA C1' . 34159 2
155 . 2 1 3 3 DA C2 C 13 152.312 0.000 . 1 . . . . B 15 DA C2 . 34159 2
156 . 2 1 3 3 DA C3' C 13 77.060 0.000 . 1 . . . . B 15 DA C3' . 34159 2
157 . 2 1 3 3 DA C4' C 13 84.911 0.000 . 1 . . . . B 15 DA C4' . 34159 2
158 . 2 1 3 3 DA C8 C 13 138.562 0.000 . 1 . . . . B 15 DA C8 . 34159 2
159 . 2 1 3 3 DA P P 31 -1.165 0.001 . 1 . . . . B 15 DA P . 34159 2
160 . 2 1 4 4 DT H1' H 1 5.618 0.000 . 1 . . . . B 16 DT H1' . 34159 2
161 . 2 1 4 4 DT H3' H 1 4.926 0.000 . 1 . . . . B 16 DT H3' . 34159 2
162 . 2 1 4 4 DT H4' H 1 4.142 0.002 . 1 . . . . B 16 DT H4' . 34159 2
163 . 2 1 4 4 DT H6 H 1 7.277 0.000 . 1 . . . . B 16 DT H6 . 34159 2
164 . 2 1 4 4 DT H71 H 1 1.522 0.000 . 1 . . . . B 16 DT H71 . 34159 2
165 . 2 1 4 4 DT H72 H 1 1.522 0.000 . 1 . . . . B 16 DT H72 . 34159 2
166 . 2 1 4 4 DT H73 H 1 1.522 0.000 . 1 . . . . B 16 DT H73 . 34159 2
167 . 2 1 4 4 DT C1' C 13 82.401 0.000 . 1 . . . . B 16 DT C1' . 34159 2
168 . 2 1 4 4 DT C3' C 13 73.218 0.000 . 1 . . . . B 16 DT C3' . 34159 2
169 . 2 1 4 4 DT C4' C 13 82.187 0.000 . 1 . . . . B 16 DT C4' . 34159 2
170 . 2 1 4 4 DT C6 C 13 136.158 0.000 . 1 . . . . B 16 DT C6 . 34159 2
171 . 2 1 4 4 DT C7 C 13 11.362 0.000 . 1 . . . . B 16 DT C7 . 34159 2
172 . 2 1 4 4 DT P P 31 -1.340 0.001 . 1 . . . . B 16 DT P . 34159 2
173 . 2 1 5 5 DG H1' H 1 5.787 0.000 . 1 . . . . B 17 DG H1' . 34159 2
174 . 2 1 5 5 DG H3' H 1 5.001 0.002 . 1 . . . . B 17 DG H3' . 34159 2
175 . 2 1 5 5 DG H4' H 1 4.269 0.000 . 1 . . . . B 17 DG H4' . 34159 2
176 . 2 1 5 5 DG H8 H 1 8.011 0.000 . 1 . . . . B 17 DG H8 . 34159 2
177 . 2 1 5 5 DG C1' C 13 82.655 0.000 . 1 . . . . B 17 DG C1' . 34159 2
178 . 2 1 5 5 DG C3' C 13 78.283 0.000 . 1 . . . . B 17 DG C3' . 34159 2
179 . 2 1 5 5 DG C8 C 13 135.355 0.000 . 1 . . . . B 17 DG C8 . 34159 2
180 . 2 1 5 5 DG P P 31 -0.477 0.002 . 1 . . . . B 17 DG P . 34159 2
181 . 2 1 6 6 DT H1' H 1 5.201 0.000 . 1 . . . . B 18 DT H1' . 34159 2
182 . 2 1 6 6 DT H3' H 1 4.630 0.000 . 1 . . . . B 18 DT H3' . 34159 2
183 . 2 1 6 6 DT H4' H 1 2.058 0.002 . 1 . . . . B 18 DT H4' . 34159 2
184 . 2 1 6 6 DT H6 H 1 6.993 0.000 . 1 . . . . B 18 DT H6 . 34159 2
185 . 2 1 6 6 DT H71 H 1 1.451 0.000 . 1 . . . . B 18 DT H71 . 34159 2
186 . 2 1 6 6 DT H72 H 1 1.451 0.000 . 1 . . . . B 18 DT H72 . 34159 2
187 . 2 1 6 6 DT H73 H 1 1.451 0.000 . 1 . . . . B 18 DT H73 . 34159 2
188 . 2 1 6 6 DT C1' C 13 81.898 0.000 . 1 . . . . B 18 DT C1' . 34159 2
189 . 2 1 6 6 DT C3' C 13 73.879 0.000 . 1 . . . . B 18 DT C3' . 34159 2
190 . 2 1 6 6 DT C4' C 13 81.499 0.000 . 1 . . . . B 18 DT C4' . 34159 2
191 . 2 1 6 6 DT C6 C 13 136.395 0.000 . 1 . . . . B 18 DT C6 . 34159 2
192 . 2 1 6 6 DT C7 C 13 12.160 0.000 . 1 . . . . B 18 DT C7 . 34159 2
193 . 2 1 6 6 DT P P 31 -1.532 0.000 . 1 . . . . B 18 DT P . 34159 2
194 . 2 1 7 7 DA H1' H 1 5.516 0.000 . 1 . . . . B 19 DA H1' . 34159 2
195 . 2 1 7 7 DA H2 H 1 8.023 0.000 . 1 . . . . B 19 DA H2 . 34159 2
196 . 2 1 7 7 DA H3' H 1 4.668 0.002 . 1 . . . . B 19 DA H3' . 34159 2
197 . 2 1 7 7 DA H4' H 1 2.614 0.002 . 1 . . . . B 19 DA H4' . 34159 2
198 . 2 1 7 7 DA H8 H 1 8.141 0.000 . 1 . . . . B 19 DA H8 . 34159 2
199 . 2 1 7 7 DA C1' C 13 81.282 0.000 . 1 . . . . B 19 DA C1' . 34159 2
200 . 2 1 7 7 DA C2 C 13 152.379 0.000 . 1 . . . . B 19 DA C2 . 34159 2
201 . 2 1 7 7 DA C3' C 13 75.542 0.000 . 1 . . . . B 19 DA C3' . 34159 2
202 . 2 1 7 7 DA C4' C 13 82.678 0.000 . 1 . . . . B 19 DA C4' . 34159 2
203 . 2 1 7 7 DA C8 C 13 139.652 0.000 . 1 . . . . B 19 DA C8 . 34159 2
204 . 2 1 7 7 DA P P 31 -1.622 0.002 . 1 . . . . B 19 DA P . 34159 2
205 . 2 1 8 8 DC H1' H 1 5.326 0.000 . 1 . . . . B 20 DC H1' . 34159 2
206 . 2 1 8 8 DC H3' H 1 4.541 0.000 . 1 . . . . B 20 DC H3' . 34159 2
207 . 2 1 8 8 DC H4' H 1 2.235 0.001 . 1 . . . . B 20 DC H4' . 34159 2
208 . 2 1 8 8 DC H5 H 1 5.276 0.000 . 1 . . . . B 20 DC H5 . 34159 2
209 . 2 1 8 8 DC H6 H 1 6.869 0.000 . 1 . . . . B 20 DC H6 . 34159 2
210 . 2 1 8 8 DC C1' C 13 81.563 0.000 . 1 . . . . B 20 DC C1' . 34159 2
211 . 2 1 8 8 DC C3' C 13 72.895 0.000 . 1 . . . . B 20 DC C3' . 34159 2
212 . 2 1 8 8 DC C4' C 13 80.814 0.000 . 1 . . . . B 20 DC C4' . 34159 2
213 . 2 1 8 8 DC C5 C 13 96.125 0.000 . 1 . . . . B 20 DC C5 . 34159 2
214 . 2 1 8 8 DC C6 C 13 139.552 0.000 . 1 . . . . B 20 DC C6 . 34159 2
215 . 2 1 8 8 DC P P 31 -1.950 0.002 . 1 . . . . B 20 DC P . 34159 2
216 . 2 1 9 9 DA H1' H 1 5.491 0.000 . 1 . . . . B 21 DA H1' . 34159 2
217 . 2 1 9 9 DA H2 H 1 7.706 0.000 . 1 . . . . B 21 DA H2 . 34159 2
218 . 2 1 9 9 DA H3' H 1 4.638 0.000 . 1 . . . . B 21 DA H3' . 34159 2
219 . 2 1 9 9 DA H4' H 1 2.840 0.001 . 1 . . . . B 21 DA H4' . 34159 2
220 . 2 1 9 9 DA H8 H 1 8.283 0.000 . 1 . . . . B 21 DA H8 . 34159 2
221 . 2 1 9 9 DA C1' C 13 80.560 0.000 . 1 . . . . B 21 DA C1' . 34159 2
222 . 2 1 9 9 DA C2 C 13 150.876 0.000 . 1 . . . . B 21 DA C2 . 34159 2
223 . 2 1 9 9 DA C3' C 13 74.441 0.000 . 1 . . . . B 21 DA C3' . 34159 2
224 . 2 1 9 9 DA C4' C 13 82.484 0.000 . 1 . . . . B 21 DA C4' . 34159 2
225 . 2 1 9 9 DA C8 C 13 139.325 0.000 . 1 . . . . B 21 DA C8 . 34159 2
226 . 2 1 9 9 DA P P 31 -1.927 0.000 . 1 . . . . B 21 DA P . 34159 2
227 . 2 1 10 10 DT H1' H 1 5.729 0.000 . 1 . . . . B 22 DT H1' . 34159 2
228 . 2 1 10 10 DT H3' H 1 4.777 0.001 . 1 . . . . B 22 DT H3' . 34159 2
229 . 2 1 10 10 DT H4' H 1 3.762 0.000 . 1 . . . . B 22 DT H4' . 34159 2
230 . 2 1 10 10 DT H6 H 1 6.959 0.000 . 1 . . . . B 22 DT H6 . 34159 2
231 . 2 1 10 10 DT H71 H 1 1.369 0.000 . 1 . . . . B 22 DT H71 . 34159 2
232 . 2 1 10 10 DT H72 H 1 1.369 0.000 . 1 . . . . B 22 DT H72 . 34159 2
233 . 2 1 10 10 DT H73 H 1 1.369 0.000 . 1 . . . . B 22 DT H73 . 34159 2
234 . 2 1 10 10 DT C1' C 13 81.422 0.000 . 1 . . . . B 22 DT C1' . 34159 2
235 . 2 1 10 10 DT C3' C 13 73.536 0.000 . 1 . . . . B 22 DT C3' . 34159 2
236 . 2 1 10 10 DT C4' C 13 82.081 0.000 . 1 . . . . B 22 DT C4' . 34159 2
237 . 2 1 10 10 DT C6 C 13 135.862 0.000 . 1 . . . . B 22 DT C6 . 34159 2
238 . 2 1 10 10 DT C7 C 13 11.297 0.000 . 1 . . . . B 22 DT C7 . 34159 2
239 . 2 1 10 10 DT P P 31 -2.074 0.000 . 1 . . . . B 22 DT P . 34159 2
240 . 2 1 11 11 DC H1' H 1 5.487 0.000 . 1 . . . . B 23 DC H1' . 34159 2
241 . 2 1 11 11 DC H3' H 1 4.814 0.000 . 1 . . . . B 23 DC H3' . 34159 2
242 . 2 1 11 11 DC H4' H 1 4.119 0.002 . 1 . . . . B 23 DC H4' . 34159 2
243 . 2 1 11 11 DC H5 H 1 5.650 0.000 . 1 . . . . B 23 DC H5 . 34159 2
244 . 2 1 11 11 DC H6 H 1 7.461 0.000 . 1 . . . . B 23 DC H6 . 34159 2
245 . 2 1 11 11 DC C1' C 13 84.073 0.000 . 1 . . . . B 23 DC C1' . 34159 2
246 . 2 1 11 11 DC C3' C 13 73.923 0.000 . 1 . . . . B 23 DC C3' . 34159 2
247 . 2 1 11 11 DC C4' C 13 82.792 0.000 . 1 . . . . B 23 DC C4' . 34159 2
248 . 2 1 11 11 DC C5 C 13 96.148 0.000 . 1 . . . . B 23 DC C5 . 34159 2
249 . 2 1 11 11 DC C6 C 13 141.177 0.000 . 1 . . . . B 23 DC C6 . 34159 2
250 . 2 1 11 11 DC P P 31 -1.349 0.001 . 1 . . . . B 23 DC P . 34159 2
251 . 2 1 12 12 DG H1' H 1 6.170 0.000 . 1 . . . . B 24 DG H1' . 34159 2
252 . 2 1 12 12 DG H3' H 1 4.681 0.000 . 1 . . . . B 24 DG H3' . 34159 2
253 . 2 1 12 12 DG H4' H 1 4.158 0.000 . 1 . . . . B 24 DG H4' . 34159 2
254 . 2 1 12 12 DG H8 H 1 7.938 0.000 . 1 . . . . B 24 DG H8 . 34159 2
255 . 2 1 12 12 DG C1' C 13 82.256 0.000 . 1 . . . . B 24 DG C1' . 34159 2
256 . 2 1 12 12 DG C3' C 13 70.904 0.000 . 1 . . . . B 24 DG C3' . 34159 2
257 . 2 1 12 12 DG C4' C 13 85.359 0.000 . 1 . . . . B 24 DG C4' . 34159 2
258 . 2 1 12 12 DG C8 C 13 136.505 0.000 . 1 . . . . B 24 DG C8 . 34159 2
259 . 2 1 12 12 DG P P 31 -0.508 0.000 . 1 . . . . B 24 DG P . 34159 2
260 . 3 2 1 1 9TK H83 H 1 7.179 0.000 . 1 . . . . A 101 9TK H83 . 34159 2
261 . 3 2 1 1 9TK H84 H 1 7.056 0.000 . 1 . . . . A 101 9TK H84 . 34159 2
262 . 3 2 1 1 9TK H881 H 1 3.963 0.000 . 1 . . . . A 101 9TK H881 . 34159 2
263 . 3 2 1 1 9TK C83 C 13 130.158 0.000 . 1 . . . . A 101 9TK C83 . 34159 2
264 . 3 2 1 1 9TK C84 C 13 124.398 0.000 . 1 . . . . A 101 9TK C84 . 34159 2
265 . 3 2 1 1 9TK C88 C 13 35.552 0.000 . 1 . . . . A 101 9TK C88 . 34159 2
266 . 4 3 1 1 PYB HB1 H 1 6.037 0.000 . 1 . . . . A 102 PYB HB1 . 34159 2
267 . 4 3 1 1 PYB HB H 1 7.566 0.000 . 1 . . . . A 102 PYB HB . 34159 2
268 . 4 3 1 1 PYB HD1 H 1 3.902 0.000 . 1 . . . . A 102 PYB HD1 . 34159 2
269 . 4 3 1 1 PYB CB1 C 13 104.252 0.000 . 1 . . . . A 102 PYB CB1 . 34159 2
270 . 4 3 1 1 PYB CB C 13 120.723 0.000 . 1 . . . . A 102 PYB CB . 34159 2
271 . 4 3 1 1 PYB CD C 13 37.557 0.000 . 1 . . . . A 102 PYB CD . 34159 2
272 . 5 3 1 1 PYB HB1 H 1 6.230 0.000 . 1 . . . . A 103 PYB HB1 . 34159 2
273 . 5 3 1 1 PYB HB H 1 7.614 0.000 . 1 . . . . A 103 PYB HB . 34159 2
274 . 5 3 1 1 PYB HD1 H 1 3.782 0.000 . 1 . . . . A 103 PYB HD1 . 34159 2
275 . 5 3 1 1 PYB CB1 C 13 102.713 0.000 . 1 . . . . A 103 PYB CB1 . 34159 2
276 . 5 3 1 1 PYB CB C 13 122.041 0.000 . 1 . . . . A 103 PYB CB . 34159 2
277 . 5 3 1 1 PYB CD C 13 37.140 0.000 . 1 . . . . A 103 PYB CD . 34159 2
278 . 6 3 1 1 PYB HB1 H 1 6.451 0.000 . 1 . . . . A 104 PYB HB1 . 34159 2
279 . 6 3 1 1 PYB HD1 H 1 3.562 0.000 . 1 . . . . A 104 PYB HD1 . 34159 2
280 . 6 3 1 1 PYB CB1 C 13 105.278 0.000 . 1 . . . . A 104 PYB CB1 . 34159 2
281 . 6 3 1 1 PYB CD C 13 36.254 0.000 . 1 . . . . A 104 PYB CD . 34159 2
282 . 8 5 1 1 IMT HD1 H 1 3.945 0.000 . 1 . . . . A 106 IMT HD1 . 34159 2
283 . 8 5 1 1 IMT CD C 13 36.371 0.000 . 1 . . . . A 106 IMT CD . 34159 2
284 . 9 3 1 1 PYB HB1 H 1 6.191 0.000 . 1 . . . . A 107 PYB HB1 . 34159 2
285 . 9 3 1 1 PYB HD1 H 1 3.864 0.000 . 1 . . . . A 107 PYB HD1 . 34159 2
286 . 9 3 1 1 PYB CB1 C 13 104.258 0.000 . 1 . . . . A 107 PYB CB1 . 34159 2
287 . 9 3 1 1 PYB CD C 13 37.845 0.000 . 1 . . . . A 107 PYB CD . 34159 2
288 . 10 3 1 1 PYB HB1 H 1 6.336 0.000 . 1 . . . . A 108 PYB HB1 . 34159 2
289 . 10 3 1 1 PYB HB H 1 7.530 0.000 . 1 . . . . A 108 PYB HB . 34159 2
290 . 10 3 1 1 PYB HD1 H 1 3.710 0.000 . 1 . . . . A 108 PYB HD1 . 34159 2
291 . 10 3 1 1 PYB CB1 C 13 102.543 0.000 . 1 . . . . A 108 PYB CB1 . 34159 2
292 . 10 3 1 1 PYB CB C 13 121.670 0.000 . 1 . . . . A 108 PYB CB . 34159 2
293 . 10 3 1 1 PYB CD C 13 37.075 0.000 . 1 . . . . A 108 PYB CD . 34159 2
294 . 11 3 1 1 PYB HB1 H 1 6.309 0.000 . 1 . . . . A 109 PYB HB1 . 34159 2
295 . 11 3 1 1 PYB HB H 1 7.110 0.000 . 1 . . . . A 109 PYB HB . 34159 2
296 . 11 3 1 1 PYB HD1 H 1 3.615 0.000 . 1 . . . . A 109 PYB HD1 . 34159 2
297 . 11 3 1 1 PYB CB1 C 13 106.588 0.000 . 1 . . . . A 109 PYB CB1 . 34159 2
298 . 11 3 1 1 PYB CD C 13 36.201 0.000 . 1 . . . . A 109 PYB CD . 34159 2
stop_
save_