Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 34677
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 'Non-exchangeable protons were assigned based on Sample 2, and the exchangeable protons were assigned based on Sample 1.'
_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' . . . 34677 1
2 '2D 1H-1H NOESY' . . . 34677 1
3 '2D 1H-1H TOCSY' . . . 34677 1
4 '2D 1H-13C HSQC' . . . 34677 1
5 JR-HMBC . . . 34677 1
6 'H8N2 HNN-COSY' . . . 34677 1
7 'H1N2 HNN-COSY' . . . 34677 1
8 'constant-time HSQC' . . . 34677 1
9 'constant-time HSQC' . . . 34677 1
10 'constant-time HSQC' . . . 34677 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 G H1 H 1 11.505 0.001 . 1 . . . . A 1 G H1 . 34677 1
2 . 1 . 1 1 1 G H1' H 1 5.848 0.001 . 1 . . . . A 1 G H1' . 34677 1
3 . 1 . 1 1 1 G H2' H 1 4.976 0.001 . 1 . . . . A 1 G H2' . 34677 1
4 . 1 . 1 1 1 G H3' H 1 4.764 0.000 . 1 . . . . A 1 G H3' . 34677 1
5 . 1 . 1 1 1 G H4' H 1 4.660 0.001 . 1 . . . . A 1 G H4' . 34677 1
6 . 1 . 1 1 1 G H5' H 1 4.382 0.000 . . . . . . A 1 G H5' . 34677 1
7 . 1 . 1 1 1 G H5'' H 1 4.365 0.000 . . . . . . A 1 G H5'' . 34677 1
8 . 1 . 1 1 1 G H8 H 1 8.129 0.001 . 1 . . . . A 1 G H8 . 34677 1
9 . 1 . 1 1 1 G C1' C 13 90.034 0.028 . 1 . . . . A 1 G C1' . 34677 1
10 . 1 . 1 1 1 G C2' C 13 75.236 0.033 . 1 . . . . A 1 G C2' . 34677 1
11 . 1 . 1 1 1 G C3' C 13 73.316 0.000 . 1 . . . . A 1 G C3' . 34677 1
12 . 1 . 1 1 1 G C4' C 13 84.697 0.016 . 1 . . . . A 1 G C4' . 34677 1
13 . 1 . 1 1 1 G C5 C 13 118.459 0.000 . 1 . . . . A 1 G C5 . 34677 1
14 . 1 . 1 1 1 G C5' C 13 68.676 0.010 . 1 . . . . A 1 G C5' . 34677 1
15 . 1 . 1 1 1 G C8 C 13 138.642 0.022 . 1 . . . . A 1 G C8 . 34677 1
16 . 1 . 1 1 1 G N2 N 15 80.362 0.000 . 1 . . . . A 1 G N2 . 34677 1
17 . 1 . 1 2 2 G H1 H 1 11.685 0.001 . 1 . . . . A 2 G H1 . 34677 1
18 . 1 . 1 2 2 G H1' H 1 5.979 0.001 . 1 . . . . A 2 G H1' . 34677 1
19 . 1 . 1 2 2 G H2' H 1 4.468 0.000 . 1 . . . . A 2 G H2' . 34677 1
20 . 1 . 1 2 2 G H4' H 1 4.622 0.001 . 1 . . . . A 2 G H4' . 34677 1
21 . 1 . 1 2 2 G H8 H 1 7.997 0.001 . 1 . . . . A 2 G H8 . 34677 1
22 . 1 . 1 2 2 G H21 H 1 9.778 0.000 . . . . . . A 2 G H21 . 34677 1
23 . 1 . 1 2 2 G H22 H 1 5.928 0.000 . . . . . . A 2 G H22 . 34677 1
24 . 1 . 1 2 2 G C1' C 13 93.355 0.022 . 1 . . . . A 2 G C1' . 34677 1
25 . 1 . 1 2 2 G C2' C 13 75.124 0.031 . 1 . . . . A 2 G C2' . 34677 1
26 . 1 . 1 2 2 G C4' C 13 82.845 0.002 . 1 . . . . A 2 G C4' . 34677 1
27 . 1 . 1 2 2 G C5 C 13 118.026 0.001 . 1 . . . . A 2 G C5 . 34677 1
28 . 1 . 1 2 2 G C8 C 13 137.858 0.011 . 1 . . . . A 2 G C8 . 34677 1
29 . 1 . 1 2 2 G N2 N 15 82.263 0.001 . 1 . . . . A 2 G N2 . 34677 1
30 . 1 . 1 3 3 G H1 H 1 11.541 0.002 . 1 . . . . A 3 G H1 . 34677 1
31 . 1 . 1 3 3 G H1' H 1 6.086 0.001 . 1 . . . . A 3 G H1' . 34677 1
32 . 1 . 1 3 3 G H2' H 1 4.293 0.000 . 1 . . . . A 3 G H2' . 34677 1
33 . 1 . 1 3 3 G H3' H 1 4.767 0.000 . 1 . . . . A 3 G H3' . 34677 1
34 . 1 . 1 3 3 G H4' H 1 4.398 0.001 . 1 . . . . A 3 G H4' . 34677 1
35 . 1 . 1 3 3 G H5' H 1 4.611 0.000 . . . . . . A 3 G H5' . 34677 1
36 . 1 . 1 3 3 G H5'' H 1 4.103 0.000 . . . . . . A 3 G H5'' . 34677 1
37 . 1 . 1 3 3 G H8 H 1 7.883 0.001 . 1 . . . . A 3 G H8 . 34677 1
38 . 1 . 1 3 3 G C1' C 13 90.931 0.048 . 1 . . . . A 3 G C1' . 34677 1
39 . 1 . 1 3 3 G C2' C 13 77.403 0.000 . 1 . . . . A 3 G C2' . 34677 1
40 . 1 . 1 3 3 G C4' C 13 83.787 0.029 . 1 . . . . A 3 G C4' . 34677 1
41 . 1 . 1 3 3 G C5 C 13 117.526 0.003 . 1 . . . . A 3 G C5 . 34677 1
42 . 1 . 1 3 3 G C5' C 13 65.964 0.015 . 1 . . . . A 3 G C5' . 34677 1
43 . 1 . 1 3 3 G C8 C 13 137.598 0.028 . 1 . . . . A 3 G C8 . 34677 1
44 . 1 . 1 3 3 G N2 N 15 81.873 0.022 . 1 . . . . A 3 G N2 . 34677 1
45 . 1 . 1 4 4 C H1' H 1 5.821 0.001 . 1 . . . . A 4 C H1' . 34677 1
46 . 1 . 1 4 4 C H2' H 1 4.255 0.000 . 1 . . . . A 4 C H2' . 34677 1
47 . 1 . 1 4 4 C H3' H 1 4.530 0.000 . 1 . . . . A 4 C H3' . 34677 1
48 . 1 . 1 4 4 C H4' H 1 4.215 0.001 . 1 . . . . A 4 C H4' . 34677 1
49 . 1 . 1 4 4 C H5 H 1 5.844 0.000 . 1 . . . . A 4 C H5 . 34677 1
50 . 1 . 1 4 4 C H5'' H 1 4.044 0.000 . . . . . . A 4 C H5'' . 34677 1
51 . 1 . 1 4 4 C H6 H 1 7.683 0.001 . 1 . . . . A 4 C H6 . 34677 1
52 . 1 . 1 4 4 C C1' C 13 91.571 0.000 . 1 . . . . A 4 C C1' . 34677 1
53 . 1 . 1 4 4 C C2' C 13 76.038 0.000 . 1 . . . . A 4 C C2' . 34677 1
54 . 1 . 1 4 4 C C3' C 13 76.494 0.000 . 1 . . . . A 4 C C3' . 34677 1
55 . 1 . 1 4 4 C C4' C 13 84.549 0.000 . 1 . . . . A 4 C C4' . 34677 1
56 . 1 . 1 4 4 C C5 C 13 98.969 0.000 . 1 . . . . A 4 C C5 . 34677 1
57 . 1 . 1 4 4 C C6 C 13 143.307 0.000 . 1 . . . . A 4 C C6 . 34677 1
58 . 1 . 1 5 5 C H1' H 1 5.948 0.001 . 1 . . . . A 5 C H1' . 34677 1
59 . 1 . 1 5 5 C H2' H 1 4.341 0.002 . 1 . . . . A 5 C H2' . 34677 1
60 . 1 . 1 5 5 C H3' H 1 4.589 0.002 . 1 . . . . A 5 C H3' . 34677 1
61 . 1 . 1 5 5 C H4' H 1 4.376 0.000 . 1 . . . . A 5 C H4' . 34677 1
62 . 1 . 1 5 5 C H5 H 1 5.988 0.000 . 1 . . . . A 5 C H5 . 34677 1
63 . 1 . 1 5 5 C H5' H 1 4.106 0.002 . . . . . . A 5 C H5' . 34677 1
64 . 1 . 1 5 5 C H5'' H 1 4.068 0.000 . . . . . . A 5 C H5'' . 34677 1
65 . 1 . 1 5 5 C H6 H 1 7.796 0.002 . 1 . . . . A 5 C H6 . 34677 1
66 . 1 . 1 5 5 C C1' C 13 91.414 0.000 . 1 . . . . A 5 C C1' . 34677 1
67 . 1 . 1 5 5 C C2' C 13 75.953 0.000 . 1 . . . . A 5 C C2' . 34677 1
68 . 1 . 1 5 5 C C3' C 13 76.859 0.000 . 1 . . . . A 5 C C3' . 34677 1
69 . 1 . 1 5 5 C C4' C 13 84.540 0.000 . 1 . . . . A 5 C C4' . 34677 1
70 . 1 . 1 5 5 C C5 C 13 99.303 0.000 . 1 . . . . A 5 C C5 . 34677 1
71 . 1 . 1 5 5 C C5' C 13 67.537 0.000 . 1 . . . . A 5 C C5' . 34677 1
72 . 1 . 1 5 5 C C6 C 13 143.672 0.000 . 1 . . . . A 5 C C6 . 34677 1
73 . 1 . 1 6 6 A H1' H 1 6.109 0.002 . 1 . . . . A 6 A H1' . 34677 1
74 . 1 . 1 6 6 A H2 H 1 8.264 0.000 . 1 . . . . A 6 A H2 . 34677 1
75 . 1 . 1 6 6 A H2' H 1 4.894 0.001 . 1 . . . . A 6 A H2' . 34677 1
76 . 1 . 1 6 6 A H3' H 1 4.825 0.002 . 1 . . . . A 6 A H3' . 34677 1
77 . 1 . 1 6 6 A H4' H 1 4.592 0.001 . 1 . . . . A 6 A H4' . 34677 1
78 . 1 . 1 6 6 A H5' H 1 4.271 0.000 . . . . . . A 6 A H5' . 34677 1
79 . 1 . 1 6 6 A H5'' H 1 4.215 0.000 . . . . . . A 6 A H5'' . 34677 1
80 . 1 . 1 6 6 A H8 H 1 8.501 0.000 . 1 . . . . A 6 A H8 . 34677 1
81 . 1 . 1 6 6 A C1' C 13 89.773 0.014 . 1 . . . . A 6 A C1' . 34677 1
82 . 1 . 1 6 6 A C2 C 13 155.667 0.022 . 1 . . . . A 6 A C2 . 34677 1
83 . 1 . 1 6 6 A C2' C 13 76.038 0.014 . 1 . . . . A 6 A C2' . 34677 1
84 . 1 . 1 6 6 A C3' C 13 77.294 0.015 . 1 . . . . A 6 A C3' . 34677 1
85 . 1 . 1 6 6 A C4' C 13 85.590 0.003 . 1 . . . . A 6 A C4' . 34677 1
86 . 1 . 1 6 6 A C5 C 13 121.545 0.011 . 1 . . . . A 6 A C5 . 34677 1
87 . 1 . 1 6 6 A C5' C 13 67.845 0.012 . 1 . . . . A 6 A C5' . 34677 1
88 . 1 . 1 6 6 A C8 C 13 142.284 0.019 . 1 . . . . A 6 A C8 . 34677 1
89 . 1 . 1 7 7 U H1' H 1 5.902 0.001 . 1 . . . . A 7 U H1' . 34677 1
90 . 1 . 1 7 7 U H2' H 1 4.352 0.000 . 1 . . . . A 7 U H2' . 34677 1
91 . 1 . 1 7 7 U H3' H 1 4.650 0.001 . 1 . . . . A 7 U H3' . 34677 1
92 . 1 . 1 7 7 U H4' H 1 4.408 0.001 . 1 . . . . A 7 U H4' . 34677 1
93 . 1 . 1 7 7 U H5 H 1 5.796 0.002 . 1 . . . . A 7 U H5 . 34677 1
94 . 1 . 1 7 7 U H5' H 1 4.120 0.001 . . . . . . A 7 U H5' . 34677 1
95 . 1 . 1 7 7 U H5'' H 1 4.085 0.000 . . . . . . A 7 U H5'' . 34677 1
96 . 1 . 1 7 7 U H6 H 1 7.793 0.001 . 1 . . . . A 7 U H6 . 34677 1
97 . 1 . 1 7 7 U C1' C 13 90.430 0.028 . 1 . . . . A 7 U C1' . 34677 1
98 . 1 . 1 7 7 U C2' C 13 75.791 0.005 . 1 . . . . A 7 U C2' . 34677 1
99 . 1 . 1 7 7 U C3' C 13 77.299 0.007 . 1 . . . . A 7 U C3' . 34677 1
100 . 1 . 1 7 7 U C4' C 13 85.049 0.010 . 1 . . . . A 7 U C4' . 34677 1
101 . 1 . 1 7 7 U C5 C 13 105.447 0.032 . 1 . . . . A 7 U C5 . 34677 1
102 . 1 . 1 7 7 U C5' C 13 67.960 0.008 . 1 . . . . A 7 U C5' . 34677 1
103 . 1 . 1 7 7 U C6 C 13 143.668 0.001 . 1 . . . . A 7 U C6 . 34677 1
104 . 1 . 1 8 8 G H1' H 1 5.903 0.001 . 1 . . . . A 8 G H1' . 34677 1
105 . 1 . 1 8 8 G H2' H 1 4.989 0.000 . 1 . . . . A 8 G H2' . 34677 1
106 . 1 . 1 8 8 G H3' H 1 4.934 0.000 . 1 . . . . A 8 G H3' . 34677 1
107 . 1 . 1 8 8 G H4' H 1 4.545 0.002 . 1 . . . . A 8 G H4' . 34677 1
108 . 1 . 1 8 8 G H5' H 1 4.472 0.000 . . . . . . A 8 G H5' . 34677 1
109 . 1 . 1 8 8 G H5'' H 1 4.244 0.000 . . . . . . A 8 G H5'' . 34677 1
110 . 1 . 1 8 8 G H8 H 1 8.029 0.001 . 1 . . . . A 8 G H8 . 34677 1
111 . 1 . 1 8 8 G C1' C 13 89.952 0.028 . 1 . . . . A 8 G C1' . 34677 1
112 . 1 . 1 8 8 G C2' C 13 75.038 0.006 . 1 . . . . A 8 G C2' . 34677 1
113 . 1 . 1 8 8 G C3' C 13 77.188 0.010 . 1 . . . . A 8 G C3' . 34677 1
114 . 1 . 1 8 8 G C4' C 13 85.611 0.019 . 1 . . . . A 8 G C4' . 34677 1
115 . 1 . 1 8 8 G C5 C 13 119.152 0.000 . 1 . . . . A 8 G C5 . 34677 1
116 . 1 . 1 8 8 G C8 C 13 140.197 0.078 . 1 . . . . A 8 G C8 . 34677 1
117 . 1 . 1 9 9 G H1 H 1 11.501 0.002 . 1 . . . . A 9 G H1 . 34677 1
118 . 1 . 1 9 9 G H1' H 1 5.840 0.001 . 1 . . . . A 9 G H1' . 34677 1
119 . 1 . 1 9 9 G H2' H 1 5.014 0.000 . 1 . . . . A 9 G H2' . 34677 1
120 . 1 . 1 9 9 G H3' H 1 4.783 0.002 . 1 . . . . A 9 G H3' . 34677 1
121 . 1 . 1 9 9 G H4' H 1 4.624 0.000 . 1 . . . . A 9 G H4' . 34677 1
122 . 1 . 1 9 9 G H5' H 1 4.350 0.000 . . . . . . A 9 G H5' . 34677 1
123 . 1 . 1 9 9 G H5'' H 1 4.341 0.000 . . . . . . A 9 G H5'' . 34677 1
124 . 1 . 1 9 9 G H8 H 1 8.108 0.001 . 1 . . . . A 9 G H8 . 34677 1
125 . 1 . 1 9 9 G C1' C 13 90.686 0.000 . 1 . . . . A 9 G C1' . 34677 1
126 . 1 . 1 9 9 G C2' C 13 75.007 0.028 . 1 . . . . A 9 G C2' . 34677 1
127 . 1 . 1 9 9 G C3' C 13 73.419 0.007 . 1 . . . . A 9 G C3' . 34677 1
128 . 1 . 1 9 9 G C4' C 13 84.778 0.001 . 1 . . . . A 9 G C4' . 34677 1
129 . 1 . 1 9 9 G C5 C 13 118.580 0.001 . 1 . . . . A 9 G C5 . 34677 1
130 . 1 . 1 9 9 G C8 C 13 138.491 0.019 . 1 . . . . A 9 G C8 . 34677 1
131 . 1 . 1 9 9 G N2 N 15 80.758 0.002 . 1 . . . . A 9 G N2 . 34677 1
132 . 1 . 1 10 10 G H1 H 1 11.540 0.001 . 1 . . . . A 10 G H1 . 34677 1
133 . 1 . 1 10 10 G H1' H 1 5.978 0.001 . 1 . . . . A 10 G H1' . 34677 1
134 . 1 . 1 10 10 G H2' H 1 4.697 0.000 . 1 . . . . A 10 G H2' . 34677 1
135 . 1 . 1 10 10 G H4' H 1 4.641 0.000 . 1 . . . . A 10 G H4' . 34677 1
136 . 1 . 1 10 10 G H5' H 1 4.535 0.000 . . . . . . A 10 G H5' . 34677 1
137 . 1 . 1 10 10 G H5'' H 1 4.450 0.000 . . . . . . A 10 G H5'' . 34677 1
138 . 1 . 1 10 10 G H8 H 1 7.978 0.001 . 1 . . . . A 10 G H8 . 34677 1
139 . 1 . 1 10 10 G H21 H 1 9.391 0.000 . . . . . . A 10 G H21 . 34677 1
140 . 1 . 1 10 10 G H22 H 1 6.851 0.000 . . . . . . A 10 G H22 . 34677 1
141 . 1 . 1 10 10 G C1' C 13 93.348 0.028 . 1 . . . . A 10 G C1' . 34677 1
142 . 1 . 1 10 10 G C2' C 13 74.689 0.001 . 1 . . . . A 10 G C2' . 34677 1
143 . 1 . 1 10 10 G C4' C 13 83.413 0.002 . 1 . . . . A 10 G C4' . 34677 1
144 . 1 . 1 10 10 G C5 C 13 117.850 0.002 . 1 . . . . A 10 G C5 . 34677 1
145 . 1 . 1 10 10 G C8 C 13 138.126 0.017 . 1 . . . . A 10 G C8 . 34677 1
146 . 1 . 1 10 10 G N2 N 15 82.686 0.006 . 1 . . . . A 10 G N2 . 34677 1
147 . 1 . 1 11 11 G H1 H 1 11.384 0.001 . 1 . . . . A 11 G H1 . 34677 1
148 . 1 . 1 11 11 G H1' H 1 6.211 0.000 . 1 . . . . A 11 G H1' . 34677 1
149 . 1 . 1 11 11 G H2' H 1 4.665 0.001 . 1 . . . . A 11 G H2' . 34677 1
150 . 1 . 1 11 11 G H3' H 1 4.806 0.000 . 1 . . . . A 11 G H3' . 34677 1
151 . 1 . 1 11 11 G H4' H 1 4.770 0.001 . 1 . . . . A 11 G H4' . 34677 1
152 . 1 . 1 11 11 G H5' H 1 4.806 0.000 . . . . . . A 11 G H5' . 34677 1
153 . 1 . 1 11 11 G H5'' H 1 4.100 0.001 . . . . . . A 11 G H5'' . 34677 1
154 . 1 . 1 11 11 G H8 H 1 7.921 0.000 . 1 . . . . A 11 G H8 . 34677 1
155 . 1 . 1 11 11 G C1' C 13 87.452 0.043 . 1 . . . . A 11 G C1' . 34677 1
156 . 1 . 1 11 11 G C2' C 13 77.458 0.034 . 1 . . . . A 11 G C2' . 34677 1
157 . 1 . 1 11 11 G C3' C 13 81.416 0.024 . 1 . . . . A 11 G C3' . 34677 1
158 . 1 . 1 11 11 G C4' C 13 83.883 0.000 . 1 . . . . A 11 G C4' . 34677 1
159 . 1 . 1 11 11 G C5 C 13 116.901 0.001 . 1 . . . . A 11 G C5 . 34677 1
160 . 1 . 1 11 11 G C5' C 13 67.671 0.016 . 1 . . . . A 11 G C5' . 34677 1
161 . 1 . 1 11 11 G C8 C 13 137.988 0.022 . 1 . . . . A 11 G C8 . 34677 1
162 . 1 . 1 11 11 G N2 N 15 82.639 0.008 . 1 . . . . A 11 G N2 . 34677 1
163 . 1 . 1 12 12 U H1' H 1 6.236 0.001 . 1 . . . . A 12 U H1' . 34677 1
164 . 1 . 1 12 12 U H2' H 1 4.505 0.001 . 1 . . . . A 12 U H2' . 34677 1
165 . 1 . 1 12 12 U H3' H 1 4.940 0.001 . 1 . . . . A 12 U H3' . 34677 1
166 . 1 . 1 12 12 U H4' H 1 4.762 0.002 . 1 . . . . A 12 U H4' . 34677 1
167 . 1 . 1 12 12 U H5 H 1 6.043 0.000 . 1 . . . . A 12 U H5 . 34677 1
168 . 1 . 1 12 12 U H5' H 1 4.408 0.002 . . . . . . A 12 U H5' . 34677 1
169 . 1 . 1 12 12 U H5'' H 1 4.360 0.000 . . . . . . A 12 U H5'' . 34677 1
170 . 1 . 1 12 12 U H6 H 1 7.995 0.001 . 1 . . . . A 12 U H6 . 34677 1
171 . 1 . 1 12 12 U C1' C 13 89.082 0.006 . 1 . . . . A 12 U C1' . 34677 1
172 . 1 . 1 12 12 U C2' C 13 76.195 0.003 . 1 . . . . A 12 U C2' . 34677 1
173 . 1 . 1 12 12 U C3' C 13 79.416 0.003 . 1 . . . . A 12 U C3' . 34677 1
174 . 1 . 1 12 12 U C4' C 13 86.072 0.006 . 1 . . . . A 12 U C4' . 34677 1
175 . 1 . 1 12 12 U C5 C 13 105.924 0.045 . 1 . . . . A 12 U C5 . 34677 1
176 . 1 . 1 12 12 U C5' C 13 68.640 0.020 . 1 . . . . A 12 U C5' . 34677 1
177 . 1 . 1 12 12 U C6 C 13 143.802 0.032 . 1 . . . . A 12 U C6 . 34677 1
178 . 1 . 1 13 13 G H1 H 1 11.443 0.001 . 1 . . . . A 13 G H1 . 34677 1
179 . 1 . 1 13 13 G H1' H 1 5.781 0.001 . 1 . . . . A 13 G H1' . 34677 1
180 . 1 . 1 13 13 G H2' H 1 4.982 0.000 . 1 . . . . A 13 G H2' . 34677 1
181 . 1 . 1 13 13 G H3' H 1 4.681 0.001 . 1 . . . . A 13 G H3' . 34677 1
182 . 1 . 1 13 13 G H4' H 1 4.591 0.000 . 1 . . . . A 13 G H4' . 34677 1
183 . 1 . 1 13 13 G H5' H 1 4.450 0.000 . . . . . . A 13 G H5' . 34677 1
184 . 1 . 1 13 13 G H5'' H 1 4.354 0.000 . . . . . . A 13 G H5'' . 34677 1
185 . 1 . 1 13 13 G H8 H 1 7.855 0.001 . 1 . . . . A 13 G H8 . 34677 1
186 . 1 . 1 13 13 G C1' C 13 94.117 0.028 . 1 . . . . A 13 G C1' . 34677 1
187 . 1 . 1 13 13 G C2' C 13 75.102 0.032 . 1 . . . . A 13 G C2' . 34677 1
188 . 1 . 1 13 13 G C3' C 13 76.163 0.037 . 1 . . . . A 13 G C3' . 34677 1
189 . 1 . 1 13 13 G C4' C 13 82.817 0.010 . 1 . . . . A 13 G C4' . 34677 1
190 . 1 . 1 13 13 G C5 C 13 119.261 0.003 . 1 . . . . A 13 G C5 . 34677 1
191 . 1 . 1 13 13 G C5' C 13 67.240 0.015 . 1 . . . . A 13 G C5' . 34677 1
192 . 1 . 1 13 13 G C8 C 13 137.714 0.048 . 1 . . . . A 13 G C8 . 34677 1
193 . 1 . 1 13 13 G N2 N 15 80.423 0.006 . 1 . . . . A 13 G N2 . 34677 1
194 . 1 . 1 14 14 G H1 H 1 11.622 0.001 . 1 . . . . A 14 G H1 . 34677 1
195 . 1 . 1 14 14 G H1' H 1 5.969 0.001 . 1 . . . . A 14 G H1' . 34677 1
196 . 1 . 1 14 14 G H2' H 1 4.441 0.000 . 1 . . . . A 14 G H2' . 34677 1
197 . 1 . 1 14 14 G H3' H 1 4.866 0.000 . 1 . . . . A 14 G H3' . 34677 1
198 . 1 . 1 14 14 G H4' H 1 4.584 0.000 . 1 . . . . A 14 G H4' . 34677 1
199 . 1 . 1 14 14 G H5' H 1 4.686 0.000 . . . . . . A 14 G H5' . 34677 1
200 . 1 . 1 14 14 G H5'' H 1 4.247 0.001 . . . . . . A 14 G H5'' . 34677 1
201 . 1 . 1 14 14 G H8 H 1 7.927 0.001 . 1 . . . . A 14 G H8 . 34677 1
202 . 1 . 1 14 14 G H21 H 1 9.601 0.000 . . . . . . A 14 G H21 . 34677 1
203 . 1 . 1 14 14 G C1' C 13 93.103 0.029 . 1 . . . . A 14 G C1' . 34677 1
204 . 1 . 1 14 14 G C2' C 13 75.249 0.021 . 1 . . . . A 14 G C2' . 34677 1
205 . 1 . 1 14 14 G C3' C 13 72.923 0.021 . 1 . . . . A 14 G C3' . 34677 1
206 . 1 . 1 14 14 G C4' C 13 82.418 0.033 . 1 . . . . A 14 G C4' . 34677 1
207 . 1 . 1 14 14 G C5 C 13 117.915 0.004 . 1 . . . . A 14 G C5 . 34677 1
208 . 1 . 1 14 14 G C5' C 13 64.871 0.011 . 1 . . . . A 14 G C5' . 34677 1
209 . 1 . 1 14 14 G C8 C 13 137.500 0.025 . 1 . . . . A 14 G C8 . 34677 1
210 . 1 . 1 14 14 G N2 N 15 81.763 0.001 . 1 . . . . A 14 G N2 . 34677 1
211 . 1 . 1 15 15 G H1 H 1 11.367 0.002 . 1 . . . . A 15 G H1 . 34677 1
212 . 1 . 1 15 15 G H1' H 1 6.027 0.002 . 1 . . . . A 15 G H1' . 34677 1
213 . 1 . 1 15 15 G H2' H 1 4.307 0.000 . 1 . . . . A 15 G H2' . 34677 1
214 . 1 . 1 15 15 G H3' H 1 4.755 0.002 . 1 . . . . A 15 G H3' . 34677 1
215 . 1 . 1 15 15 G H4' H 1 4.249 0.001 . 1 . . . . A 15 G H4' . 34677 1
216 . 1 . 1 15 15 G H5' H 1 4.502 0.001 . . . . . . A 15 G H5' . 34677 1
217 . 1 . 1 15 15 G H5'' H 1 3.989 0.001 . . . . . . A 15 G H5'' . 34677 1
218 . 1 . 1 15 15 G H8 H 1 7.907 0.000 . 1 . . . . A 15 G H8 . 34677 1
219 . 1 . 1 15 15 G C1' C 13 90.204 0.054 . 1 . . . . A 15 G C1' . 34677 1
220 . 1 . 1 15 15 G C2' C 13 77.910 0.020 . 1 . . . . A 15 G C2' . 34677 1
221 . 1 . 1 15 15 G C3' C 13 76.568 0.000 . 1 . . . . A 15 G C3' . 34677 1
222 . 1 . 1 15 15 G C4' C 13 84.631 0.004 . 1 . . . . A 15 G C4' . 34677 1
223 . 1 . 1 15 15 G C5 C 13 117.214 0.002 . 1 . . . . A 15 G C5 . 34677 1
224 . 1 . 1 15 15 G C5' C 13 66.491 0.004 . 1 . . . . A 15 G C5' . 34677 1
225 . 1 . 1 15 15 G C8 C 13 137.854 0.020 . 1 . . . . A 15 G C8 . 34677 1
226 . 1 . 1 15 15 G N2 N 15 82.371 0.001 . 1 . . . . A 15 G N2 . 34677 1
227 . 1 . 1 16 16 A H1' H 1 6.038 0.002 . 1 . . . . A 16 A H1' . 34677 1
228 . 1 . 1 16 16 A H2 H 1 8.152 0.000 . 1 . . . . A 16 A H2 . 34677 1
229 . 1 . 1 16 16 A H2' H 1 4.773 0.000 . 1 . . . . A 16 A H2' . 34677 1
230 . 1 . 1 16 16 A H3' H 1 4.744 0.000 . 1 . . . . A 16 A H3' . 34677 1
231 . 1 . 1 16 16 A H4' H 1 4.463 0.002 . 1 . . . . A 16 A H4' . 34677 1
232 . 1 . 1 16 16 A H5' H 1 4.064 0.002 . . . . . . A 16 A H5' . 34677 1
233 . 1 . 1 16 16 A H5'' H 1 3.973 0.001 . . . . . . A 16 A H5'' . 34677 1
234 . 1 . 1 16 16 A H8 H 1 8.420 0.000 . 1 . . . . A 16 A H8 . 34677 1
235 . 1 . 1 16 16 A C1' C 13 88.847 0.014 . 1 . . . . A 16 A C1' . 34677 1
236 . 1 . 1 16 16 A C2 C 13 155.605 0.015 . 1 . . . . A 16 A C2 . 34677 1
237 . 1 . 1 16 16 A C2' C 13 76.281 0.007 . 1 . . . . A 16 A C2' . 34677 1
238 . 1 . 1 16 16 A C3' C 13 77.743 0.010 . 1 . . . . A 16 A C3' . 34677 1
239 . 1 . 1 16 16 A C4' C 13 85.711 0.007 . 1 . . . . A 16 A C4' . 34677 1
240 . 1 . 1 16 16 A C5 C 13 121.769 0.006 . 1 . . . . A 16 A C5 . 34677 1
241 . 1 . 1 16 16 A C5' C 13 68.202 0.012 . 1 . . . . A 16 A C5' . 34677 1
242 . 1 . 1 16 16 A C8 C 13 142.304 0.023 . 1 . . . . A 16 A C8 . 34677 1
243 . 1 . 1 17 17 G H1' H 1 5.964 0.001 . 1 . . . . A 17 G H1' . 34677 1
244 . 1 . 1 17 17 G H2' H 1 4.936 0.000 . 1 . . . . A 17 G H2' . 34677 1
245 . 1 . 1 17 17 G H3' H 1 4.884 0.001 . 1 . . . . A 17 G H3' . 34677 1
246 . 1 . 1 17 17 G H4' H 1 4.576 0.001 . 1 . . . . A 17 G H4' . 34677 1
247 . 1 . 1 17 17 G H5' H 1 4.317 0.000 . . . . . . A 17 G H5' . 34677 1
248 . 1 . 1 17 17 G H5'' H 1 4.256 0.001 . . . . . . A 17 G H5'' . 34677 1
249 . 1 . 1 17 17 G H8 H 1 8.102 0.001 . 1 . . . . A 17 G H8 . 34677 1
250 . 1 . 1 17 17 G C1' C 13 90.360 0.021 . 1 . . . . A 17 G C1' . 34677 1
251 . 1 . 1 17 17 G C2' C 13 75.176 0.050 . 1 . . . . A 17 G C2' . 34677 1
252 . 1 . 1 17 17 G C3' C 13 76.761 0.004 . 1 . . . . A 17 G C3' . 34677 1
253 . 1 . 1 17 17 G C4' C 13 85.283 0.016 . 1 . . . . A 17 G C4' . 34677 1
254 . 1 . 1 17 17 G C5 C 13 119.227 0.000 . 1 . . . . A 17 G C5 . 34677 1
255 . 1 . 1 17 17 G C8 C 13 140.386 0.000 . 1 . . . . A 17 G C8 . 34677 1
256 . 1 . 1 18 18 C H1' H 1 6.027 0.001 . 1 . . . . A 18 C H1' . 34677 1
257 . 1 . 1 18 18 C H2' H 1 4.438 0.000 . 1 . . . . A 18 C H2' . 34677 1
258 . 1 . 1 18 18 C H3' H 1 4.688 0.000 . 1 . . . . A 18 C H3' . 34677 1
259 . 1 . 1 18 18 C H4' H 1 4.504 0.000 . 1 . . . . A 18 C H4' . 34677 1
260 . 1 . 1 18 18 C H5 H 1 5.979 0.000 . 1 . . . . A 18 C H5 . 34677 1
261 . 1 . 1 18 18 C H5' H 1 4.319 0.000 . . . . . . A 18 C H5' . 34677 1
262 . 1 . 1 18 18 C H5'' H 1 4.230 0.000 . . . . . . A 18 C H5'' . 34677 1
263 . 1 . 1 18 18 C H6 H 1 7.867 0.001 . 1 . . . . A 18 C H6 . 34677 1
264 . 1 . 1 18 18 C C1' C 13 91.464 0.000 . 1 . . . . A 18 C C1' . 34677 1
265 . 1 . 1 18 18 C C2' C 13 75.914 0.000 . 1 . . . . A 18 C C2' . 34677 1
266 . 1 . 1 18 18 C C3' C 13 76.890 0.000 . 1 . . . . A 18 C C3' . 34677 1
267 . 1 . 1 18 18 C C4' C 13 84.886 0.000 . 1 . . . . A 18 C C4' . 34677 1
268 . 1 . 1 18 18 C C5 C 13 99.254 0.000 . 1 . . . . A 18 C C5 . 34677 1
269 . 1 . 1 18 18 C C6 C 13 143.875 0.000 . 1 . . . . A 18 C C6 . 34677 1
270 . 1 . 1 19 19 U H1' H 1 5.888 0.002 . 1 . . . . A 19 U H1' . 34677 1
271 . 1 . 1 19 19 U H2' H 1 4.463 0.002 . 1 . . . . A 19 U H2' . 34677 1
272 . 1 . 1 19 19 U H3' H 1 4.764 0.001 . 1 . . . . A 19 U H3' . 34677 1
273 . 1 . 1 19 19 U H4' H 1 4.450 0.002 . 1 . . . . A 19 U H4' . 34677 1
274 . 1 . 1 19 19 U H5 H 1 5.747 0.001 . 1 . . . . A 19 U H5 . 34677 1
275 . 1 . 1 19 19 U H5' H 1 4.280 0.000 . . . . . . A 19 U H5' . 34677 1
276 . 1 . 1 19 19 U H5'' H 1 4.182 0.000 . . . . . . A 19 U H5'' . 34677 1
277 . 1 . 1 19 19 U H6 H 1 7.809 0.001 . 1 . . . . A 19 U H6 . 34677 1
278 . 1 . 1 19 19 U C1' C 13 91.274 0.004 . 1 . . . . A 19 U C1' . 34677 1
279 . 1 . 1 19 19 U C2' C 13 75.388 0.020 . 1 . . . . A 19 U C2' . 34677 1
280 . 1 . 1 19 19 U C3' C 13 76.584 0.002 . 1 . . . . A 19 U C3' . 34677 1
281 . 1 . 1 19 19 U C4' C 13 85.119 0.004 . 1 . . . . A 19 U C4' . 34677 1
282 . 1 . 1 19 19 U C5 C 13 105.061 0.043 . 1 . . . . A 19 U C5 . 34677 1
283 . 1 . 1 19 19 U C5' C 13 67.655 0.017 . 1 . . . . A 19 U C5' . 34677 1
284 . 1 . 1 19 19 U C6 C 13 143.903 0.022 . 1 . . . . A 19 U C6 . 34677 1
285 . 1 . 1 20 20 G H1 H 1 11.549 0.001 . 1 . . . . A 20 G H1 . 34677 1
286 . 1 . 1 20 20 G H1' H 1 5.836 0.001 . 1 . . . . A 20 G H1' . 34677 1
287 . 1 . 1 20 20 G H2' H 1 4.962 0.002 . 1 . . . . A 20 G H2' . 34677 1
288 . 1 . 1 20 20 G H3' H 1 4.716 0.000 . 1 . . . . A 20 G H3' . 34677 1
289 . 1 . 1 20 20 G H4' H 1 4.607 0.000 . 1 . . . . A 20 G H4' . 34677 1
290 . 1 . 1 20 20 G H5' H 1 4.287 0.000 . . . . . . A 20 G H5' . 34677 1
291 . 1 . 1 20 20 G H5'' H 1 4.271 0.001 . . . . . . A 20 G H5'' . 34677 1
292 . 1 . 1 20 20 G H8 H 1 8.114 0.001 . 1 . . . . A 20 G H8 . 34677 1
293 . 1 . 1 20 20 G C1' C 13 90.686 0.000 . 1 . . . . A 20 G C1' . 34677 1
294 . 1 . 1 20 20 G C2' C 13 75.112 0.067 . 1 . . . . A 20 G C2' . 34677 1
295 . 1 . 1 20 20 G C3' C 13 76.061 0.000 . 1 . . . . A 20 G C3' . 34677 1
296 . 1 . 1 20 20 G C4' C 13 84.544 0.029 . 1 . . . . A 20 G C4' . 34677 1
297 . 1 . 1 20 20 G C5 C 13 118.566 0.001 . 1 . . . . A 20 G C5 . 34677 1
298 . 1 . 1 20 20 G C5' C 13 68.501 0.010 . 1 . . . . A 20 G C5' . 34677 1
299 . 1 . 1 20 20 G C8 C 13 138.471 0.040 . 1 . . . . A 20 G C8 . 34677 1
300 . 1 . 1 20 20 G N2 N 15 80.387 0.004 . 1 . . . . A 20 G N2 . 34677 1
301 . 1 . 1 21 21 G H1 H 1 11.571 0.001 . 1 . . . . A 21 G H1 . 34677 1
302 . 1 . 1 21 21 G H1' H 1 6.041 0.001 . 1 . . . . A 21 G H1' . 34677 1
303 . 1 . 1 21 21 G H2' H 1 4.511 0.001 . 1 . . . . A 21 G H2' . 34677 1
304 . 1 . 1 21 21 G H3' H 1 4.808 0.001 . 1 . . . . A 21 G H3' . 34677 1
305 . 1 . 1 21 21 G H4' H 1 4.636 0.000 . 1 . . . . A 21 G H4' . 34677 1
306 . 1 . 1 21 21 G H5' H 1 4.560 0.000 . . . . . . A 21 G H5' . 34677 1
307 . 1 . 1 21 21 G H5'' H 1 4.459 0.000 . . . . . . A 21 G H5'' . 34677 1
308 . 1 . 1 21 21 G H8 H 1 7.993 0.002 . 1 . . . . A 21 G H8 . 34677 1
309 . 1 . 1 21 21 G H21 H 1 9.726 0.000 . . . . . . A 21 G H21 . 34677 1
310 . 1 . 1 21 21 G C1' C 13 93.257 0.044 . 1 . . . . A 21 G C1' . 34677 1
311 . 1 . 1 21 21 G C2' C 13 75.224 0.027 . 1 . . . . A 21 G C2' . 34677 1
312 . 1 . 1 21 21 G C3' C 13 76.544 0.000 . 1 . . . . A 21 G C3' . 34677 1
313 . 1 . 1 21 21 G C4' C 13 82.886 0.055 . 1 . . . . A 21 G C4' . 34677 1
314 . 1 . 1 21 21 G C5 C 13 118.011 0.013 . 1 . . . . A 21 G C5 . 34677 1
315 . 1 . 1 21 21 G C8 C 13 138.069 0.026 . 1 . . . . A 21 G C8 . 34677 1
316 . 1 . 1 21 21 G N2 N 15 82.016 0.004 . 1 . . . . A 21 G N2 . 34677 1
317 . 1 . 1 22 22 G H1 H 1 11.361 0.001 . 1 . . . . A 22 G H1 . 34677 1
318 . 1 . 1 22 22 G H1' H 1 6.129 0.000 . 1 . . . . A 22 G H1' . 34677 1
319 . 1 . 1 22 22 G H2' H 1 4.227 0.000 . 1 . . . . A 22 G H2' . 34677 1
320 . 1 . 1 22 22 G H3' H 1 4.491 0.002 . 1 . . . . A 22 G H3' . 34677 1
321 . 1 . 1 22 22 G H4' H 1 4.390 0.002 . 1 . . . . A 22 G H4' . 34677 1
322 . 1 . 1 22 22 G H5' H 1 4.667 0.001 . . . . . . A 22 G H5' . 34677 1
323 . 1 . 1 22 22 G H5'' H 1 4.155 0.000 . . . . . . A 22 G H5'' . 34677 1
324 . 1 . 1 22 22 G H8 H 1 7.833 0.000 . 1 . . . . A 22 G H8 . 34677 1
325 . 1 . 1 22 22 G C1' C 13 90.712 0.026 . 1 . . . . A 22 G C1' . 34677 1
326 . 1 . 1 22 22 G C2' C 13 78.271 0.009 . 1 . . . . A 22 G C2' . 34677 1
327 . 1 . 1 22 22 G C3' C 13 71.008 0.020 . 1 . . . . A 22 G C3' . 34677 1
328 . 1 . 1 22 22 G C4' C 13 84.433 0.006 . 1 . . . . A 22 G C4' . 34677 1
329 . 1 . 1 22 22 G C5 C 13 117.430 0.002 . 1 . . . . A 22 G C5 . 34677 1
330 . 1 . 1 22 22 G C5' C 13 66.215 0.005 . 1 . . . . A 22 G C5' . 34677 1
331 . 1 . 1 22 22 G C8 C 13 137.499 0.018 . 1 . . . . A 22 G C8 . 34677 1
332 . 1 . 1 22 22 G N2 N 15 82.272 0.002 . 1 . . . . A 22 G N2 . 34677 1
stop_
save_