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 17088
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $D2O
_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-15N HSQC' . . . 17088 1
2 '2D 1H-13C HSQC' . . . 17088 1
3 '2D 1H-13C HSQC' . . . 17088 1
4 '2D 1H-1H COSY' . . . 17088 1
5 '2D 1H-1H NOESY' . . . 17088 1
6 '2D 1H-1H NOESY' . . . 17088 1
7 '2D 1H-1H Filter/Edited NOESY' . . . 17088 1
8 '3D HCCH-TOCSY' . . . 17088 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 G H1 H 1 12.64 0.0160 . 1 . . . . 1 G H1 . 17088 1
2 . 1 1 1 1 G H1' H 1 5.821 0.0042 . 1 . . . . 1 G H1' . 17088 1
3 . 1 1 1 1 G H2' H 1 4.985 0.0035 . 1 . . . . 1 G H2' . 17088 1
4 . 1 1 1 1 G H3' H 1 4.82 0.0048 . 1 . . . . 1 G H3' . 17088 1
5 . 1 1 1 1 G H4' H 1 4.592 0.0055 . 1 . . . . 1 G H4' . 17088 1
6 . 1 1 1 1 G H5' H 1 4.317 0.0205 . 1 . . . . 1 G H5' . 17088 1
7 . 1 1 1 1 G H5'' H 1 4.391 0.0037 . 1 . . . . 1 G H5'' . 17088 1
8 . 1 1 1 1 G H8 H 1 8.171 0.0041 . 1 . . . . 1 G H8 . 17088 1
9 . 1 1 1 1 G C1' C 13 89.88 0.0349 . 1 . . . . 1 G C1' . 17088 1
10 . 1 1 1 1 G C2' C 13 74.77 0.0012 . 1 . . . . 1 G C2' . 17088 1
11 . 1 1 1 1 G C3' C 13 75.61 0.0010 . 1 . . . . 1 G C3' . 17088 1
12 . 1 1 1 1 G C4' C 13 84.04 0.0100 . 1 . . . . 1 G C4' . 17088 1
13 . 1 1 1 1 G C5' C 13 67.39 0.0010 . 1 . . . . 1 G C5' . 17088 1
14 . 1 1 1 1 G C8 C 13 139.1 0.0010 . 1 . . . . 1 G C8 . 17088 1
15 . 1 1 1 1 G N1 N 15 146.6 0.0000 . 1 . . . . 1 G N1 . 17088 1
16 . 1 1 2 2 A H1' H 1 6.167 0.0052 . 1 . . . . 2 A H1' . 17088 1
17 . 1 1 2 2 A H2 H 1 7.633 0.0043 . 1 . . . . 2 A H2 . 17088 1
18 . 1 1 2 2 A H2' H 1 4.842 0.0072 . 1 . . . . 2 A H2' . 17088 1
19 . 1 1 2 2 A H3' H 1 4.721 0.0045 . 1 . . . . 2 A H3' . 17088 1
20 . 1 1 2 2 A H4' H 1 4.652 0.0050 . 1 . . . . 2 A H4' . 17088 1
21 . 1 1 2 2 A H5' H 1 4.54 0.0258 . 1 . . . . 2 A H5' . 17088 1
22 . 1 1 2 2 A H5'' H 1 4.482 0.0240 . 1 . . . . 2 A H5'' . 17088 1
23 . 1 1 2 2 A H8 H 1 8.163 0.0041 . 1 . . . . 2 A H8 . 17088 1
24 . 1 1 2 2 A H61 H 1 7.317 0.0000 . 1 . . . . 2 A H61 . 17088 1
25 . 1 1 2 2 A H62 H 1 6.815 0.0000 . 1 . . . . 2 A H62 . 17088 1
26 . 1 1 2 2 A C1' C 13 92.78 0.0013 . 1 . . . . 2 A C1' . 17088 1
27 . 1 1 2 2 A C2 C 13 153.1 0.0000 . 1 . . . . 2 A C2 . 17088 1
28 . 1 1 2 2 A C2' C 13 75.77 0.0510 . 1 . . . . 2 A C2' . 17088 1
29 . 1 1 2 2 A C3' C 13 73.54 0.0232 . 1 . . . . 2 A C3' . 17088 1
30 . 1 1 2 2 A C4' C 13 82.94 0.0201 . 1 . . . . 2 A C4' . 17088 1
31 . 1 1 2 2 A C5' C 13 67.59 0.0010 . 1 . . . . 2 A C5' . 17088 1
32 . 1 1 2 2 A C8 C 13 140.5 0.0010 . 1 . . . . 2 A C8 . 17088 1
33 . 1 1 2 2 A N6 N 15 81.39 0.0074 . 1 . . . . 2 A N6 . 17088 1
34 . 1 1 3 3 G H1 H 1 12.54 0.0048 . 1 . . . . 3 G H1 . 17088 1
35 . 1 1 3 3 G H1' H 1 5.666 0.0046 . 1 . . . . 3 G H1' . 17088 1
36 . 1 1 3 3 G H2' H 1 4.62 0.0050 . 1 . . . . 3 G H2' . 17088 1
37 . 1 1 3 3 G H3' H 1 4.535 0.0042 . 1 . . . . 3 G H3' . 17088 1
38 . 1 1 3 3 G H4' H 1 4.541 0.0025 . 1 . . . . 3 G H4' . 17088 1
39 . 1 1 3 3 G H5' H 1 4.508 0.0021 . 1 . . . . 3 G H5' . 17088 1
40 . 1 1 3 3 G H5'' H 1 4.156 0.0065 . 1 . . . . 3 G H5'' . 17088 1
41 . 1 1 3 3 G H8 H 1 7.178 0.0050 . 1 . . . . 3 G H8 . 17088 1
42 . 1 1 3 3 G H21 H 1 7.996 0.0108 . 1 . . . . 3 G H21 . 17088 1
43 . 1 1 3 3 G H22 H 1 6.035 0.0154 . 1 . . . . 3 G H22 . 17088 1
44 . 1 1 3 3 G C1' C 13 92.82 0.0350 . 1 . . . . 3 G C1' . 17088 1
45 . 1 1 3 3 G C2' C 13 75.51 0.0010 . 1 . . . . 3 G C2' . 17088 1
46 . 1 1 3 3 G C3' C 13 74.33 0.0146 . 1 . . . . 3 G C3' . 17088 1
47 . 1 1 3 3 G C4' C 13 82.24 0.0533 . 1 . . . . 3 G C4' . 17088 1
48 . 1 1 3 3 G C5' C 13 66.82 0.0075 . 1 . . . . 3 G C5' . 17088 1
49 . 1 1 3 3 G C8 C 13 136 0.0010 . 1 . . . . 3 G C8 . 17088 1
50 . 1 1 3 3 G N1 N 15 146.3 0.0000 . 1 . . . . 3 G N1 . 17088 1
51 . 1 1 3 3 G N2 N 15 74.61 0.0080 . 1 . . . . 3 G N2 . 17088 1
52 . 1 1 4 4 A H1' H 1 5.999 0.0047 . 1 . . . . 4 A H1' . 17088 1
53 . 1 1 4 4 A H2 H 1 7.517 0.0197 . 1 . . . . 4 A H2 . 17088 1
54 . 1 1 4 4 A H2' H 1 4.662 0.0051 . 1 . . . . 4 A H2' . 17088 1
55 . 1 1 4 4 A H3' H 1 4.679 0.0033 . 1 . . . . 4 A H3' . 17088 1
56 . 1 1 4 4 A H4' H 1 4.551 0.0036 . 1 . . . . 4 A H4' . 17088 1
57 . 1 1 4 4 A H5' H 1 4.162 0.0034 . 1 . . . . 4 A H5' . 17088 1
58 . 1 1 4 4 A H5'' H 1 4.601 0.0010 . 1 . . . . 4 A H5'' . 17088 1
59 . 1 1 4 4 A H8 H 1 7.779 0.0071 . 1 . . . . 4 A H8 . 17088 1
60 . 1 1 4 4 A H61 H 1 7.314 0.0000 . 1 . . . . 4 A H61 . 17088 1
61 . 1 1 4 4 A H62 H 1 6.86 0.0000 . 1 . . . . 4 A H62 . 17088 1
62 . 1 1 4 4 A C1' C 13 92.93 0.0091 . 1 . . . . 4 A C1' . 17088 1
63 . 1 1 4 4 A C2 C 13 153.3 0.0010 . 1 . . . . 4 A C2 . 17088 1
64 . 1 1 4 4 A C2' C 13 75.7 0.0010 . 1 . . . . 4 A C2' . 17088 1
65 . 1 1 4 4 A C3' C 13 72.69 0.0420 . 1 . . . . 4 A C3' . 17088 1
66 . 1 1 4 4 A C4' C 13 82.07 0.0012 . 1 . . . . 4 A C4' . 17088 1
67 . 1 1 4 4 A C5' C 13 65.75 0.0020 . 1 . . . . 4 A C5' . 17088 1
68 . 1 1 4 4 A C8 C 13 139.4 0.0010 . 1 . . . . 4 A C8 . 17088 1
69 . 1 1 4 4 A N6 N 15 82.35 0.0065 . 1 . . . . 4 A N6 . 17088 1
70 . 1 1 5 5 G H1 H 1 13.38 0.0087 . 1 . . . . 5 G H1 . 17088 1
71 . 1 1 5 5 G H1' H 1 5.737 0.0095 . 1 . . . . 5 G H1' . 17088 1
72 . 1 1 5 5 G H2' H 1 4.701 0.0111 . 1 . . . . 5 G H2' . 17088 1
73 . 1 1 5 5 G H3' H 1 4.469 0.0067 . 1 . . . . 5 G H3' . 17088 1
74 . 1 1 5 5 G H4' H 1 4.457 0.0030 . 1 . . . . 5 G H4' . 17088 1
75 . 1 1 5 5 G H5' H 1 4.104 0.0050 . 1 . . . . 5 G H5' . 17088 1
76 . 1 1 5 5 G H5'' H 1 4.565 0.0025 . 1 . . . . 5 G H5'' . 17088 1
77 . 1 1 5 5 G H8 H 1 7.276 0.0086 . 1 . . . . 5 G H8 . 17088 1
78 . 1 1 5 5 G H21 H 1 8.511 0.0082 . 1 . . . . 5 G H21 . 17088 1
79 . 1 1 5 5 G H22 H 1 6.461 0.0124 . 1 . . . . 5 G H22 . 17088 1
80 . 1 1 5 5 G C1' C 13 92.69 0.0457 . 1 . . . . 5 G C1' . 17088 1
81 . 1 1 5 5 G C2' C 13 75.51 0.0383 . 1 . . . . 5 G C2' . 17088 1
82 . 1 1 5 5 G C3' C 13 72.4 0.0404 . 1 . . . . 5 G C3' . 17088 1
83 . 1 1 5 5 G C4' C 13 81.91 0.0148 . 1 . . . . 5 G C4' . 17088 1
84 . 1 1 5 5 G C5' C 13 64.97 0.0400 . 1 . . . . 5 G C5' . 17088 1
85 . 1 1 5 5 G C8 C 13 135.9 0.0010 . 1 . . . . 5 G C8 . 17088 1
86 . 1 1 5 5 G N1 N 15 147.5 0.0000 . 1 . . . . 5 G N1 . 17088 1
87 . 1 1 5 5 G N2 N 15 75.12 0.0000 . 1 . . . . 5 G N2 . 17088 1
88 . 1 1 6 6 PSU H1' H 1 4.653 0.0097 . 1 . . . . 6 PSU H1' . 17088 1
89 . 1 1 6 6 PSU H2' H 1 4.38 0.0115 . 1 . . . . 6 PSU H2' . 17088 1
90 . 1 1 6 6 PSU H3' H 1 4.405 0.0080 . 1 . . . . 6 PSU H3' . 17088 1
91 . 1 1 6 6 PSU H4' H 1 4.162 0.0049 . 1 . . . . 6 PSU H4' . 17088 1
92 . 1 1 6 6 PSU H5' H 1 4.344 0.0051 . 1 . . . . 6 PSU H5' . 17088 1
93 . 1 1 6 6 PSU H5'' H 1 4.019 0.0061 . 1 . . . . 6 PSU H5'' . 17088 1
94 . 1 1 6 6 PSU C1' C 13 81.8 0.0005 . 1 . . . . 6 PSU C1' . 17088 1
95 . 1 1 6 6 PSU C2' C 13 75.76 0.0010 . 1 . . . . 6 PSU C2' . 17088 1
96 . 1 1 6 6 PSU C3' C 13 74 0.0010 . 1 . . . . 6 PSU C3' . 17088 1
97 . 1 1 6 6 PSU C4' C 13 80.07 0.0009 . 1 . . . . 6 PSU C4' . 17088 1
98 . 1 1 6 6 PSU C6 C 13 140.8 0.0010 . 1 . . . . 6 PSU C6 . 17088 1
99 . 1 1 6 6 PSU H6 H 1 7.161 0.0052 . 1 . . . . 6 PSU H6 . 17088 1
100 . 1 1 6 6 PSU H1 H 1 10.65 0.0473 . 1 . . . . 6 PSU H1 . 17088 1
101 . 1 1 7 7 PSU H1' H 1 4.472 0.0094 . 1 . . . . 7 PSU H1' . 17088 1
102 . 1 1 7 7 PSU H2' H 1 4.126 0.0050 . 1 . . . . 7 PSU H2' . 17088 1
103 . 1 1 7 7 PSU H3' H 1 4.257 0.0035 . 1 . . . . 7 PSU H3' . 17088 1
104 . 1 1 7 7 PSU H4' H 1 4.073 0.0035 . 1 . . . . 7 PSU H4' . 17088 1
105 . 1 1 7 7 PSU H5' H 1 4.154 0.0045 . 1 . . . . 7 PSU H5' . 17088 1
106 . 1 1 7 7 PSU H5'' H 1 3.91 0.0030 . 1 . . . . 7 PSU H5'' . 17088 1
107 . 1 1 7 7 PSU C1' C 13 82.02 0.0025 . 1 . . . . 7 PSU C1' . 17088 1
108 . 1 1 7 7 PSU C2' C 13 75.53 0.0010 . 1 . . . . 7 PSU C2' . 17088 1
109 . 1 1 7 7 PSU C3' C 13 75.99 0.0010 . 1 . . . . 7 PSU C3' . 17088 1
110 . 1 1 7 7 PSU C4' C 13 81.67 0.0005 . 1 . . . . 7 PSU C4' . 17088 1
111 . 1 1 7 7 PSU C6 C 13 141.6 0.0010 . 1 . . . . 7 PSU C6 . 17088 1
112 . 1 1 7 7 PSU H6 H 1 7.393 0.0054 . 1 . . . . 7 PSU H6 . 17088 1
113 . 1 1 7 7 PSU H1 H 1 10.81 0.0005 . 1 . . . . 7 PSU H1 . 17088 1
114 . 1 1 8 8 G H1 H 1 10.52 0.0035 . 1 . . . . 8 G H1 . 17088 1
115 . 1 1 8 8 G H1' H 1 5.584 0.0041 . 1 . . . . 8 G H1' . 17088 1
116 . 1 1 8 8 G H2' H 1 4.519 0.0050 . 1 . . . . 8 G H2' . 17088 1
117 . 1 1 8 8 G H3' H 1 4.597 0.0033 . 1 . . . . 8 G H3' . 17088 1
118 . 1 1 8 8 G H4' H 1 4.021 0.0005 . 1 . . . . 8 G H4' . 17088 1
119 . 1 1 8 8 G H5' H 1 3.928 0.0040 . 1 . . . . 8 G H5' . 17088 1
120 . 1 1 8 8 G H5'' H 1 3.969 0.0045 . 1 . . . . 8 G H5'' . 17088 1
121 . 1 1 8 8 G H8 H 1 7.82 0.0047 . 1 . . . . 8 G H8 . 17088 1
122 . 1 1 8 8 G C1' C 13 89.7 0.0760 . 1 . . . . 8 G C1' . 17088 1
123 . 1 1 8 8 G C2' C 13 76.01 0.0119 . 1 . . . . 8 G C2' . 17088 1
124 . 1 1 8 8 G C3' C 13 78.08 0.0319 . 1 . . . . 8 G C3' . 17088 1
125 . 1 1 8 8 G C4' C 13 85.29 0.0075 . 1 . . . . 8 G C4' . 17088 1
126 . 1 1 8 8 G C5' C 13 68.17 0.0010 . 1 . . . . 8 G C5' . 17088 1
127 . 1 1 8 8 G C8 C 13 140.2 0.0010 . 1 . . . . 8 G C8 . 17088 1
128 . 1 1 8 8 G N1 N 15 145.3 0.0000 . 1 . . . . 8 G N1 . 17088 1
129 . 1 1 8 8 G N2 N 15 73.88 0.0000 . 1 . . . . 8 G N2 . 17088 1
130 . 1 1 9 9 G H1 H 1 10.92 0.0010 . 1 . . . . 9 G H1 . 17088 1
131 . 1 1 9 9 G H1' H 1 5.91 0.0076 . 1 . . . . 9 G H1' . 17088 1
132 . 1 1 9 9 G H2' H 1 4.908 0.0043 . 1 . . . . 9 G H2' . 17088 1
133 . 1 1 9 9 G H3' H 1 5.155 0.0212 . 1 . . . . 9 G H3' . 17088 1
134 . 1 1 9 9 G H4' H 1 4.501 0.0037 . 1 . . . . 9 G H4' . 17088 1
135 . 1 1 9 9 G H5' H 1 4.25 0.0059 . 1 . . . . 9 G H5' . 17088 1
136 . 1 1 9 9 G H5'' H 1 4.19 0.0052 . 1 . . . . 9 G H5'' . 17088 1
137 . 1 1 9 9 G H8 H 1 7.935 0.0041 . 1 . . . . 9 G H8 . 17088 1
138 . 1 1 9 9 G H22 H 1 6.397 0.0037 . 2 . . . . 9 G H21 . 17088 1
139 . 1 1 9 9 G C1' C 13 91.01 0.0218 . 1 . . . . 9 G C1' . 17088 1
140 . 1 1 9 9 G C2' C 13 75.67 0.0010 . 1 . . . . 9 G C2' . 17088 1
141 . 1 1 9 9 G C3' C 13 77.1 0.0255 . 1 . . . . 9 G C3' . 17088 1
142 . 1 1 9 9 G C4' C 13 85.02 0.0064 . 1 . . . . 9 G C4' . 17088 1
143 . 1 1 9 9 G C5' C 13 68.51 0.0010 . 1 . . . . 9 G C5' . 17088 1
144 . 1 1 9 9 G C8 C 13 141.2 0.0010 . 1 . . . . 9 G C8 . 17088 1
145 . 1 1 9 9 G N1 N 15 146.7 0.0000 . 1 . . . . 9 G N1 . 17088 1
146 . 1 1 9 9 G N2 N 15 72.7 0.0590 . 1 . . . . 9 G N2 . 17088 1
147 . 1 1 10 10 G H1 H 1 11.74 0.0110 . 1 . . . . 10 G H1 . 17088 1
148 . 1 1 10 10 G H1' H 1 5.638 0.0093 . 1 . . . . 10 G H1' . 17088 1
149 . 1 1 10 10 G H2' H 1 4.663 0.0158 . 1 . . . . 10 G H2' . 17088 1
150 . 1 1 10 10 G H3' H 1 4.815 0.0081 . 1 . . . . 10 G H3' . 17088 1
151 . 1 1 10 10 G H4' H 1 4.601 0.0004 . 1 . . . . 10 G H4' . 17088 1
152 . 1 1 10 10 G H5' H 1 4.391 0.0040 . 1 . . . . 10 G H5' . 17088 1
153 . 1 1 10 10 G H5'' H 1 4.315 0.0010 . 1 . . . . 10 G H5'' . 17088 1
154 . 1 1 10 10 G H8 H 1 8.109 0.0038 . 1 . . . . 10 G H8 . 17088 1
155 . 1 1 10 10 G H22 H 1 6.46 0.0070 . 2 . . . . 10 G H21 . 17088 1
156 . 1 1 10 10 G C1' C 13 90.78 0.0400 . 1 . . . . 10 G C1' . 17088 1
157 . 1 1 10 10 G C2' C 13 75.66 0.0245 . 1 . . . . 10 G C2' . 17088 1
158 . 1 1 10 10 G C3' C 13 75.39 0.0125 . 1 . . . . 10 G C3' . 17088 1
159 . 1 1 10 10 G C4' C 13 84.05 0.0304 . 1 . . . . 10 G C4' . 17088 1
160 . 1 1 10 10 G C5' C 13 68.88 0.0133 . 1 . . . . 10 G C5' . 17088 1
161 . 1 1 10 10 G C8 C 13 139.1 0.0010 . 1 . . . . 10 G C8 . 17088 1
162 . 1 1 10 10 G N1 N 15 145.6 0.0000 . 1 . . . . 10 G N1 . 17088 1
163 . 1 1 10 10 G N2 N 15 73.72 0.0637 . 1 . . . . 10 G N2 . 17088 1
164 . 1 1 11 11 C H1' H 1 5.434 0.0007 . 1 . . . . 11 C H1' . 17088 1
165 . 1 1 11 11 C H2' H 1 4.609 0.0055 . 1 . . . . 11 C H2' . 17088 1
166 . 1 1 11 11 C H3' H 1 4.479 0.0065 . 1 . . . . 11 C H3' . 17088 1
167 . 1 1 11 11 C H4' H 1 4.506 0.0047 . 1 . . . . 11 C H4' . 17088 1
168 . 1 1 11 11 C H5 H 1 5.627 0.0121 . 1 . . . . 11 C H5 . 17088 1
169 . 1 1 11 11 C H5' H 1 4.241 0.0036 . 1 . . . . 11 C H5' . 17088 1
170 . 1 1 11 11 C H5'' H 1 4.473 0.0010 . 1 . . . . 11 C H5'' . 17088 1
171 . 1 1 11 11 C H6 H 1 7.709 0.0142 . 1 . . . . 11 C H6 . 17088 1
172 . 1 1 11 11 C H41 H 1 8.801 0.0066 . 1 . . . . 11 C H41 . 17088 1
173 . 1 1 11 11 C H42 H 1 7.054 0.0008 . 1 . . . . 11 C H42 . 17088 1
174 . 1 1 11 11 C C1' C 13 94.38 0.0206 . 1 . . . . 11 C C1' . 17088 1
175 . 1 1 11 11 C C2' C 13 75.36 0.0049 . 1 . . . . 11 C C2' . 17088 1
176 . 1 1 11 11 C C3' C 13 73.05 0.0010 . 1 . . . . 11 C C3' . 17088 1
177 . 1 1 11 11 C C4' C 13 82.45 0.0459 . 1 . . . . 11 C C4' . 17088 1
178 . 1 1 11 11 C C5 C 13 97.89 0.0009 . 1 . . . . 11 C C5 . 17088 1
179 . 1 1 11 11 C C5' C 13 66.16 0.0015 . 1 . . . . 11 C C5' . 17088 1
180 . 1 1 11 11 C C6 C 13 141.8 0.0010 . 1 . . . . 11 C C6 . 17088 1
181 . 1 1 11 11 C N4 N 15 97.81 0.0579 . 1 . . . . 11 C N4 . 17088 1
182 . 1 1 12 12 PSU H1' H 1 4.885 0.0034 . 1 . . . . 12 PSU H1' . 17088 1
183 . 1 1 12 12 PSU H2' H 1 4.566 0.0048 . 1 . . . . 12 PSU H2' . 17088 1
184 . 1 1 12 12 PSU H3' H 1 4.611 0.0046 . 1 . . . . 12 PSU H3' . 17088 1
185 . 1 1 12 12 PSU H4' H 1 4.307 0.0067 . 1 . . . . 12 PSU H4' . 17088 1
186 . 1 1 12 12 PSU H5' H 1 4.513 0.0043 . 1 . . . . 12 PSU H5' . 17088 1
187 . 1 1 12 12 PSU H5'' H 1 4.095 0.0084 . 1 . . . . 12 PSU H5'' . 17088 1
188 . 1 1 12 12 PSU C1' C 13 83.08 0.0010 . 1 . . . . 12 PSU C1' . 17088 1
189 . 1 1 12 12 PSU C2' C 13 74.85 0.0010 . 1 . . . . 12 PSU C2' . 17088 1
190 . 1 1 12 12 PSU C3' C 13 73.5 0.0010 . 1 . . . . 12 PSU C3' . 17088 1
191 . 1 1 12 12 PSU C4' C 13 79.69 0.0005 . 1 . . . . 12 PSU C4' . 17088 1
192 . 1 1 12 12 PSU C6 C 13 140.8 0.0010 . 1 . . . . 12 PSU C6 . 17088 1
193 . 1 1 12 12 PSU H6 H 1 7.554 0.0010 . 1 . . . . 12 PSU H6 . 17088 1
194 . 1 1 12 12 PSU H1 H 1 10.92 0.0111 . 1 . . . . 12 PSU H1 . 17088 1
195 . 1 1 12 12 PSU H3 H 1 14.26 0.0048 . 1 . . . . 12 PSU H3 . 17088 1
196 . 1 1 13 13 C H1' H 1 5.578 0.0057 . 1 . . . . 13 C H1' . 17088 1
197 . 1 1 13 13 C H2' H 1 4.462 0.0054 . 1 . . . . 13 C H2' . 17088 1
198 . 1 1 13 13 C H3' H 1 4.61 0.0074 . 1 . . . . 13 C H3' . 17088 1
199 . 1 1 13 13 C H4' H 1 4.488 0.0063 . 1 . . . . 13 C H4' . 17088 1
200 . 1 1 13 13 C H5 H 1 5.733 0.0065 . 1 . . . . 13 C H5 . 17088 1
201 . 1 1 13 13 C H5' H 1 4.111 0.0068 . 1 . . . . 13 C H5' . 17088 1
202 . 1 1 13 13 C H5'' H 1 4.614 0.0015 . 1 . . . . 13 C H5'' . 17088 1
203 . 1 1 13 13 C H6 H 1 7.956 0.0060 . 1 . . . . 13 C H6 . 17088 1
204 . 1 1 13 13 C H41 H 1 8.532 0.0051 . 1 . . . . 13 C H41 . 17088 1
205 . 1 1 13 13 C H42 H 1 7.052 0.0066 . 1 . . . . 13 C H42 . 17088 1
206 . 1 1 13 13 C C1' C 13 94.09 0.0094 . 1 . . . . 13 C C1' . 17088 1
207 . 1 1 13 13 C C2' C 13 75.44 0.0075 . 1 . . . . 13 C C2' . 17088 1
208 . 1 1 13 13 C C3' C 13 72.13 0.0035 . 1 . . . . 13 C C3' . 17088 1
209 . 1 1 13 13 C C4' C 13 81.86 0.0035 . 1 . . . . 13 C C4' . 17088 1
210 . 1 1 13 13 C C5 C 13 97.51 0.0160 . 1 . . . . 13 C C5 . 17088 1
211 . 1 1 13 13 C C5' C 13 64.89 0.0125 . 1 . . . . 13 C C5' . 17088 1
212 . 1 1 13 13 C C6 C 13 142.2 0.0010 . 1 . . . . 13 C C6 . 17088 1
213 . 1 1 13 13 C N4 N 15 96.89 0.0595 . 1 . . . . 13 C N4 . 17088 1
214 . 1 1 14 14 PSU H1' H 1 4.819 0.0047 . 1 . . . . 14 PSU H1' . 17088 1
215 . 1 1 14 14 PSU H2' H 1 4.264 0.0102 . 1 . . . . 14 PSU H2' . 17088 1
216 . 1 1 14 14 PSU H3' H 1 4.593 0.0060 . 1 . . . . 14 PSU H3' . 17088 1
217 . 1 1 14 14 PSU H4' H 1 4.46 0.0068 . 1 . . . . 14 PSU H4' . 17088 1
218 . 1 1 14 14 PSU H5' H 1 4.564 0.0092 . 1 . . . . 14 PSU H5' . 17088 1
219 . 1 1 14 14 PSU H5'' H 1 4.061 0.0053 . 1 . . . . 14 PSU H5'' . 17088 1
220 . 1 1 14 14 PSU C1' C 13 83.22 0.0080 . 1 . . . . 14 PSU C1' . 17088 1
221 . 1 1 14 14 PSU C2' C 13 74.93 0.0010 . 1 . . . . 14 PSU C2' . 17088 1
222 . 1 1 14 14 PSU C3' C 13 73.2 0.0775 . 1 . . . . 14 PSU C3' . 17088 1
223 . 1 1 14 14 PSU C4' C 13 82 0.0000 . 1 . . . . 14 PSU C4' . 17088 1
224 . 1 1 14 14 PSU C6 C 13 140.7 0.0000 . 1 . . . . 14 PSU C6 . 17088 1
225 . 1 1 14 14 PSU H6 H 1 7.518 0.0049 . 1 . . . . 14 PSU H6 . 17088 1
226 . 1 1 14 14 PSU H1 H 1 10.78 0.0108 . 1 . . . . 14 PSU H1 . 17088 1
227 . 1 1 14 14 PSU H3 H 1 13.98 0.0504 . 1 . . . . 14 PSU H3 . 17088 1
228 . 1 1 15 15 C H1' H 1 5.832 0.0052 . 1 . . . . 15 C H1' . 17088 1
229 . 1 1 15 15 C H2' H 1 4.014 0.0054 . 1 . . . . 15 C H2' . 17088 1
230 . 1 1 15 15 C H3' H 1 4.221 0.0048 . 1 . . . . 15 C H3' . 17088 1
231 . 1 1 15 15 C H4' H 1 4.216 0.0031 . 1 . . . . 15 C H4' . 17088 1
232 . 1 1 15 15 C H5 H 1 5.717 0.0085 . 1 . . . . 15 C H5 . 17088 1
233 . 1 1 15 15 C H5' H 1 4.517 0.0037 . 1 . . . . 15 C H5' . 17088 1
234 . 1 1 15 15 C H5'' H 1 4.052 0.0050 . 1 . . . . 15 C H5'' . 17088 1
235 . 1 1 15 15 C H6 H 1 7.808 0.0072 . 1 . . . . 15 C H6 . 17088 1
236 . 1 1 15 15 C H41 H 1 8.283 0.0105 . 1 . . . . 15 C H41 . 17088 1
237 . 1 1 15 15 C H42 H 1 7.17 0.0146 . 1 . . . . 15 C H42 . 17088 1
238 . 1 1 15 15 C C1' C 13 92.82 0.0055 . 1 . . . . 15 C C1' . 17088 1
239 . 1 1 15 15 C C2' C 13 77.63 0.0201 . 1 . . . . 15 C C2' . 17088 1
240 . 1 1 15 15 C C3' C 13 69.83 5.9118 . 1 . . . . 15 C C3' . 17088 1
241 . 1 1 15 15 C C4' C 13 83.42 0.0775 . 1 . . . . 15 C C4' . 17088 1
242 . 1 1 15 15 C C5 C 13 97.85 0.0010 . 1 . . . . 15 C C5 . 17088 1
243 . 1 1 15 15 C C5' C 13 65.65 0.0010 . 1 . . . . 15 C C5' . 17088 1
244 . 1 1 15 15 C C6 C 13 142.4 0.0010 . 1 . . . . 15 C C6 . 17088 1
245 . 1 1 15 15 C N4 N 15 96.17 0.0573 . 1 . . . . 15 C N4 . 17088 1
stop_
save_