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 31099
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 13C-1H S3CT HSQC' . . . 31099 1
2 '2D 13C-1H S3CT HSQC' . . . 31099 1
3 '2D 13C-1H S3CT HSQC' . . . 31099 1
4 '2D 13C-1H S3CT HSQC' . . . 31099 1
5 '2D 13C-1H S3CT HSQC' . . . 31099 1
6 '2D 13C-1H S3CT HSQC' . . . 31099 1
7 '2D 13C-1H TROSY HSQC' . . . 31099 1
8 '2D 13C-1H TROSY HSQC' . . . 31099 1
9 '2D 13C-1H TROSY HSQC' . . . 31099 1
10 '2D 13C-1H TROSY HSQC' . . . 31099 1
11 '2D 13C-1H TROSY HSQC' . . . 31099 1
12 '2D 13C-1H TROSY HSQC' . . . 31099 1
13 '2D 13C-1H TROSY HSQC' . . . 31099 1
14 '2D 13C-1H TROSY HSQC' . . . 31099 1
15 '2D 13C-1H S3CT HSQC' . . . 31099 1
16 '2D 13C-1H S3CT HSQC' . . . 31099 1
17 '2D 1H-1H NOESY' . . . 31099 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 5.819 0.002 . 1 . . . . A 17 G H1' . 31099 1
2 . 1 . 1 1 1 G H2' H 1 4.945 0.002 . 1 . . . . A 17 G H2' . 31099 1
3 . 1 . 1 1 1 G H3' H 1 4.726 0.003 . 1 . . . . A 17 G H3' . 31099 1
4 . 1 . 1 1 1 G H4' H 1 4.565 0.002 . 1 . . . . A 17 G H4' . 31099 1
5 . 1 . 1 1 1 G H5' H 1 4.283 0.002 . 1 . . . . A 17 G H5' . 31099 1
6 . 1 . 1 1 1 G H5'' H 1 4.407 0.002 . 1 . . . . A 17 G H5'' . 31099 1
7 . 1 . 1 1 1 G H8 H 1 8.133 0.002 . 1 . . . . A 17 G H8 . 31099 1
8 . 1 . 1 1 1 G C1' C 13 91.110 0.034 . 1 . . . . A 17 G C1' . 31099 1
9 . 1 . 1 1 1 G C2' C 13 74.965 0.019 . 1 . . . . A 17 G C2' . 31099 1
10 . 1 . 1 1 1 G C3' C 13 75.003 0.024 . 1 . . . . A 17 G C3' . 31099 1
11 . 1 . 1 1 1 G C4' C 13 83.598 0.020 . 1 . . . . A 17 G C4' . 31099 1
12 . 1 . 1 1 1 G C5' C 13 67.436 0.036 . 1 . . . . A 17 G C5' . 31099 1
13 . 1 . 1 1 1 G C8 C 13 139.054 0.022 . 1 . . . . A 17 G C8 . 31099 1
14 . 1 . 1 1 1 G N7 N 15 232.172 0.000 . 1 . . . . A 17 G N7 . 31099 1
15 . 1 . 1 1 1 G N9 N 15 168.164 0.024 . 1 . . . . A 17 G N9 . 31099 1
16 . 1 . 1 1 1 G P P 31 -1.889 0.004 . 1 . . . . A 17 G P . 31099 1
17 . 1 . 1 2 2 G H1 H 1 13.275 0.000 . 1 . . . . A 18 G H1 . 31099 1
18 . 1 . 1 2 2 G H1' H 1 5.908 0.002 . 1 . . . . A 18 G H1' . 31099 1
19 . 1 . 1 2 2 G H2' H 1 4.562 0.000 . 1 . . . . A 18 G H2' . 31099 1
20 . 1 . 1 2 2 G H3' H 1 4.558 0.002 . 1 . . . . A 18 G H3' . 31099 1
21 . 1 . 1 2 2 G H4' H 1 4.555 0.001 . 1 . . . . A 18 G H4' . 31099 1
22 . 1 . 1 2 2 G H8 H 1 7.628 0.003 . 1 . . . . A 18 G H8 . 31099 1
23 . 1 . 1 2 2 G C1' C 13 93.020 0.017 . 1 . . . . A 18 G C1' . 31099 1
24 . 1 . 1 2 2 G C2' C 13 75.317 0.018 . 1 . . . . A 18 G C2' . 31099 1
25 . 1 . 1 2 2 G C3' C 13 73.136 0.027 . 1 . . . . A 18 G C3' . 31099 1
26 . 1 . 1 2 2 G C4' C 13 82.610 0.025 . 1 . . . . A 18 G C4' . 31099 1
27 . 1 . 1 2 2 G C8 C 13 136.892 0.023 . 1 . . . . A 18 G C8 . 31099 1
28 . 1 . 1 2 2 G N1 N 15 148.500 0.000 . 1 . . . . A 18 G N1 . 31099 1
29 . 1 . 1 2 2 G N7 N 15 233.190 0.000 . 1 . . . . A 18 G N7 . 31099 1
30 . 1 . 1 2 2 G N9 N 15 169.237 0.044 . 1 . . . . A 18 G N9 . 31099 1
31 . 1 . 1 2 2 G P P 31 -0.595 0.056 . 1 . . . . A 18 G P . 31099 1
32 . 1 . 1 3 3 C H1' H 1 5.511 0.004 . 1 . . . . A 19 C H1' . 31099 1
33 . 1 . 1 3 3 C H2' H 1 4.555 0.004 . 1 . . . . A 19 C H2' . 31099 1
34 . 1 . 1 3 3 C H3' H 1 4.521 0.003 . 1 . . . . A 19 C H3' . 31099 1
35 . 1 . 1 3 3 C H4' H 1 4.435 0.004 . 1 . . . . A 19 C H4' . 31099 1
36 . 1 . 1 3 3 C H5 H 1 5.255 0.002 . 1 . . . . A 19 C H5 . 31099 1
37 . 1 . 1 3 3 C H5' H 1 4.570 0.000 . 1 . . . . A 19 C H5' . 31099 1
38 . 1 . 1 3 3 C H5'' H 1 4.106 0.002 . 1 . . . . A 19 C H5'' . 31099 1
39 . 1 . 1 3 3 C H6 H 1 7.657 0.002 . 1 . . . . A 19 C H6 . 31099 1
40 . 1 . 1 3 3 C C1' C 13 93.807 0.019 . 1 . . . . A 19 C C1' . 31099 1
41 . 1 . 1 3 3 C C2' C 13 75.385 0.016 . 1 . . . . A 19 C C2' . 31099 1
42 . 1 . 1 3 3 C C3' C 13 72.215 0.011 . 1 . . . . A 19 C C3' . 31099 1
43 . 1 . 1 3 3 C C4' C 13 81.835 0.028 . 1 . . . . A 19 C C4' . 31099 1
44 . 1 . 1 3 3 C C5 C 13 97.419 0.000 . 1 . . . . A 19 C C5 . 31099 1
45 . 1 . 1 3 3 C C5' C 13 64.532 0.011 . 1 . . . . A 19 C C5' . 31099 1
46 . 1 . 1 3 3 C C6 C 13 140.653 0.001 . 1 . . . . A 19 C C6 . 31099 1
47 . 1 . 1 3 3 C N1 N 15 150.521 0.008 . 1 . . . . A 19 C N1 . 31099 1
48 . 1 . 1 3 3 C P P 31 -1.215 0.033 . 1 . . . . A 19 C P . 31099 1
49 . 1 . 1 4 4 A H1' H 1 5.939 0.002 . 1 . . . . A 20 A H1' . 31099 1
50 . 1 . 1 4 4 A H2 H 1 6.999 0.000 . 1 . . . . A 20 A H2 . 31099 1
51 . 1 . 1 4 4 A H2' H 1 4.687 0.010 . 1 . . . . A 20 A H2' . 31099 1
52 . 1 . 1 4 4 A H3' H 1 4.655 0.007 . 1 . . . . A 20 A H3' . 31099 1
53 . 1 . 1 4 4 A H4' H 1 4.487 0.004 . 1 . . . . A 20 A H4' . 31099 1
54 . 1 . 1 4 4 A H5' H 1 4.530 0.001 . 1 . . . . A 20 A H5' . 31099 1
55 . 1 . 1 4 4 A H5'' H 1 4.148 0.001 . 1 . . . . A 20 A H5'' . 31099 1
56 . 1 . 1 4 4 A H8 H 1 7.944 0.002 . 1 . . . . A 20 A H8 . 31099 1
57 . 1 . 1 4 4 A C1' C 13 92.944 0.013 . 1 . . . . A 20 A C1' . 31099 1
58 . 1 . 1 4 4 A C2 C 13 152.435 0.011 . 1 . . . . A 20 A C2 . 31099 1
59 . 1 . 1 4 4 A C2' C 13 75.784 0.031 . 1 . . . . A 20 A C2' . 31099 1
60 . 1 . 1 4 4 A C3' C 13 73.065 0.023 . 1 . . . . A 20 A C3' . 31099 1
61 . 1 . 1 4 4 A C4' C 13 81.947 0.024 . 1 . . . . A 20 A C4' . 31099 1
62 . 1 . 1 4 4 A C5' C 13 65.441 0.039 . 1 . . . . A 20 A C5' . 31099 1
63 . 1 . 1 4 4 A C8 C 13 139.339 0.003 . 1 . . . . A 20 A C8 . 31099 1
64 . 1 . 1 4 4 A N1 N 15 220.664 0.000 . 1 . . . . A 20 A N1 . 31099 1
65 . 1 . 1 4 4 A N3 N 15 213.462 0.000 . 1 . . . . A 20 A N3 . 31099 1
66 . 1 . 1 4 4 A N7 N 15 230.595 0.000 . 1 . . . . A 20 A N7 . 31099 1
67 . 1 . 1 4 4 A N9 N 15 170.451 0.025 . 1 . . . . A 20 A N9 . 31099 1
68 . 1 . 1 4 4 A P P 31 -0.679 0.054 . 1 . . . . A 20 A P . 31099 1
69 . 1 . 1 5 5 G H1 H 1 12.614 0.000 . 1 . . . . A 21 G H1 . 31099 1
70 . 1 . 1 5 5 G H1' H 1 5.492 0.002 . 1 . . . . A 21 G H1' . 31099 1
71 . 1 . 1 5 5 G H2' H 1 4.458 0.003 . 1 . . . . A 21 G H2' . 31099 1
72 . 1 . 1 5 5 G H3' H 1 4.376 0.004 . 1 . . . . A 21 G H3' . 31099 1
73 . 1 . 1 5 5 G H4' H 1 4.430 0.002 . 1 . . . . A 21 G H4' . 31099 1
74 . 1 . 1 5 5 G H5' H 1 4.411 0.002 . 1 . . . . A 21 G H5' . 31099 1
75 . 1 . 1 5 5 G H5'' H 1 4.034 0.001 . 1 . . . . A 21 G H5'' . 31099 1
76 . 1 . 1 5 5 G H8 H 1 7.054 0.001 . 1 . . . . A 21 G H8 . 31099 1
77 . 1 . 1 5 5 G C1' C 13 92.625 0.013 . 1 . . . . A 21 G C1' . 31099 1
78 . 1 . 1 5 5 G C2' C 13 75.423 0.030 . 1 . . . . A 21 G C2' . 31099 1
79 . 1 . 1 5 5 G C3' C 13 73.319 0.006 . 1 . . . . A 21 G C3' . 31099 1
80 . 1 . 1 5 5 G C4' C 13 82.214 0.048 . 1 . . . . A 21 G C4' . 31099 1
81 . 1 . 1 5 5 G C5' C 13 66.272 0.008 . 1 . . . . A 21 G C5' . 31099 1
82 . 1 . 1 5 5 G C8 C 13 135.963 0.021 . 1 . . . . A 21 G C8 . 31099 1
83 . 1 . 1 5 5 G N1 N 15 147.240 0.000 . 1 . . . . A 21 G N1 . 31099 1
84 . 1 . 1 5 5 G N7 N 15 234.231 0.000 . 1 . . . . A 21 G N7 . 31099 1
85 . 1 . 1 5 5 G N9 N 15 168.650 0.024 . 1 . . . . A 21 G N9 . 31099 1
86 . 1 . 1 5 5 G P P 31 -0.811 0.058 . 1 . . . . A 21 G P . 31099 1
87 . 1 . 1 6 6 A H1' H 1 5.880 0.001 . 1 . . . . A 22 A H1' . 31099 1
88 . 1 . 1 6 6 A H2 H 1 7.561 0.063 . 1 . . . . A 22 A H2 . 31099 1
89 . 1 . 1 6 6 A H2' H 1 4.379 0.003 . 1 . . . . A 22 A H2' . 31099 1
90 . 1 . 1 6 6 A H3' H 1 4.431 0.002 . 1 . . . . A 22 A H3' . 31099 1
91 . 1 . 1 6 6 A H4' H 1 4.433 0.002 . 1 . . . . A 22 A H4' . 31099 1
92 . 1 . 1 6 6 A H5' H 1 4.427 0.000 . 1 . . . . A 22 A H5' . 31099 1
93 . 1 . 1 6 6 A H5'' H 1 4.046 0.003 . 1 . . . . A 22 A H5'' . 31099 1
94 . 1 . 1 6 6 A H8 H 1 7.598 0.006 . 1 . . . . A 22 A H8 . 31099 1
95 . 1 . 1 6 6 A C1' C 13 92.441 0.018 . 1 . . . . A 22 A C1' . 31099 1
96 . 1 . 1 6 6 A C2 C 13 154.308 0.005 . 1 . . . . A 22 A C2 . 31099 1
97 . 1 . 1 6 6 A C2' C 13 76.076 0.050 . 1 . . . . A 22 A C2' . 31099 1
98 . 1 . 1 6 6 A C3' C 13 73.983 0.017 . 1 . . . . A 22 A C3' . 31099 1
99 . 1 . 1 6 6 A C4' C 13 83.239 0.008 . 1 . . . . A 22 A C4' . 31099 1
100 . 1 . 1 6 6 A C5' C 13 65.748 0.007 . 1 . . . . A 22 A C5' . 31099 1
101 . 1 . 1 6 6 A C8 C 13 139.572 0.008 . 1 . . . . A 22 A C8 . 31099 1
102 . 1 . 1 6 6 A N1 N 15 223.892 0.390 . 1 . . . . A 22 A N1 . 31099 1
103 . 1 . 1 6 6 A N3 N 15 214.826 0.000 . 1 . . . . A 22 A N3 . 31099 1
104 . 1 . 1 6 6 A N7 N 15 231.271 0.000 . 1 . . . . A 22 A N7 . 31099 1
105 . 1 . 1 6 6 A N9 N 15 169.847 0.031 . 1 . . . . A 22 A N9 . 31099 1
106 . 1 . 1 6 6 A P P 31 -1.012 0.060 . 1 . . . . A 22 A P . 31099 1
107 . 1 . 1 7 7 U H1' H 1 5.589 0.003 . 1 . . . . A 23 U H1' . 31099 1
108 . 1 . 1 7 7 U H2' H 1 4.119 0.002 . 1 . . . . A 23 U H2' . 31099 1
109 . 1 . 1 7 7 U H3' H 1 4.485 0.029 . 1 . . . . A 23 U H3' . 31099 1
110 . 1 . 1 7 7 U H4' H 1 4.360 0.003 . 1 . . . . A 23 U H4' . 31099 1
111 . 1 . 1 7 7 U H5 H 1 5.323 0.003 . 1 . . . . A 23 U H5 . 31099 1
112 . 1 . 1 7 7 U H5' H 1 4.031 0.002 . 1 . . . . A 23 U H5' . 31099 1
113 . 1 . 1 7 7 U H5'' H 1 4.248 0.001 . 1 . . . . A 23 U H5'' . 31099 1
114 . 1 . 1 7 7 U H6 H 1 7.417 0.002 . 1 . . . . A 23 U H6 . 31099 1
115 . 1 . 1 7 7 U C1' C 13 90.829 0.007 . 1 . . . . A 23 U C1' . 31099 1
116 . 1 . 1 7 7 U C2' C 13 75.733 0.035 . 1 . . . . A 23 U C2' . 31099 1
117 . 1 . 1 7 7 U C3' C 13 76.180 0.018 . 1 . . . . A 23 U C3' . 31099 1
118 . 1 . 1 7 7 U C4' C 13 84.329 0.025 . 1 . . . . A 23 U C4' . 31099 1
119 . 1 . 1 7 7 U C5 C 13 104.471 0.000 . 1 . . . . A 23 U C5 . 31099 1
120 . 1 . 1 7 7 U C5' C 13 66.514 0.019 . 1 . . . . A 23 U C5' . 31099 1
121 . 1 . 1 7 7 U C6 C 13 142.006 0.012 . 1 . . . . A 23 U C6 . 31099 1
122 . 1 . 1 7 7 U N1 N 15 143.626 0.005 . 1 . . . . A 23 U N1 . 31099 1
123 . 1 . 1 7 7 U P P 31 -1.222 0.055 . 1 . . . . A 23 U P . 31099 1
124 . 1 . 1 8 8 C H1' H 1 5.788 0.003 . 1 . . . . A 24 C H1' . 31099 1
125 . 1 . 1 8 8 C H2' H 1 4.332 0.003 . 1 . . . . A 24 C H2' . 31099 1
126 . 1 . 1 8 8 C H3' H 1 4.492 0.002 . 1 . . . . A 24 C H3' . 31099 1
127 . 1 . 1 8 8 C H4' H 1 4.357 0.005 . 1 . . . . A 24 C H4' . 31099 1
128 . 1 . 1 8 8 C H5 H 1 5.874 0.003 . 1 . . . . A 24 C H5 . 31099 1
129 . 1 . 1 8 8 C H5' H 1 4.085 0.001 . 1 . . . . A 24 C H5' . 31099 1
130 . 1 . 1 8 8 C H5'' H 1 4.208 0.001 . 1 . . . . A 24 C H5'' . 31099 1
131 . 1 . 1 8 8 C H6 H 1 7.757 0.003 . 1 . . . . A 24 C H6 . 31099 1
132 . 1 . 1 8 8 C C1' C 13 92.183 0.012 . 1 . . . . A 24 C C1' . 31099 1
133 . 1 . 1 8 8 C C2' C 13 75.904 0.021 . 1 . . . . A 24 C C2' . 31099 1
134 . 1 . 1 8 8 C C3' C 13 75.703 0.028 . 1 . . . . A 24 C C3' . 31099 1
135 . 1 . 1 8 8 C C4' C 13 83.907 0.016 . 1 . . . . A 24 C C4' . 31099 1
136 . 1 . 1 8 8 C C5 C 13 98.575 0.000 . 1 . . . . A 24 C C5 . 31099 1
137 . 1 . 1 8 8 C C5' C 13 67.024 0.012 . 1 . . . . A 24 C C5' . 31099 1
138 . 1 . 1 8 8 C C6 C 13 143.334 0.005 . 1 . . . . A 24 C C6 . 31099 1
139 . 1 . 1 8 8 C N1 N 15 151.514 0.010 . 1 . . . . A 24 C N1 . 31099 1
140 . 1 . 1 8 8 C P P 31 -0.961 0.053 . 1 . . . . A 24 C P . 31099 1
141 . 1 . 1 9 9 U H1' H 1 5.777 0.003 . 1 . . . . A 25 U H1' . 31099 1
142 . 1 . 1 9 9 U H2' H 1 4.518 0.002 . 1 . . . . A 25 U H2' . 31099 1
143 . 1 . 1 9 9 U H3' H 1 4.579 0.004 . 1 . . . . A 25 U H3' . 31099 1
144 . 1 . 1 9 9 U H4' H 1 4.464 0.001 . 1 . . . . A 25 U H4' . 31099 1
145 . 1 . 1 9 9 U H5 H 1 5.796 0.002 . 1 . . . . A 25 U H5 . 31099 1
146 . 1 . 1 9 9 U H5' H 1 4.294 0.003 . 1 . . . . A 25 U H5' . 31099 1
147 . 1 . 1 9 9 U H5'' H 1 4.138 0.003 . 1 . . . . A 25 U H5'' . 31099 1
148 . 1 . 1 9 9 U H6 H 1 7.845 0.006 . 1 . . . . A 25 U H6 . 31099 1
149 . 1 . 1 9 9 U C1' C 13 92.197 0.015 . 1 . . . . A 25 U C1' . 31099 1
150 . 1 . 1 9 9 U C2' C 13 75.396 0.021 . 1 . . . . A 25 U C2' . 31099 1
151 . 1 . 1 9 9 U C3' C 13 75.004 0.041 . 1 . . . . A 25 U C3' . 31099 1
152 . 1 . 1 9 9 U C4' C 13 83.874 0.015 . 1 . . . . A 25 U C4' . 31099 1
153 . 1 . 1 9 9 U C5 C 13 104.697 0.000 . 1 . . . . A 25 U C5 . 31099 1
154 . 1 . 1 9 9 U C5' C 13 66.736 0.012 . 1 . . . . A 25 U C5' . 31099 1
155 . 1 . 1 9 9 U C6 C 13 143.114 0.009 . 1 . . . . A 25 U C6 . 31099 1
156 . 1 . 1 9 9 U N1 N 15 145.334 0.013 . 1 . . . . A 25 U N1 . 31099 1
157 . 1 . 1 9 9 U P P 31 -0.962 0.041 . 1 . . . . A 25 U P . 31099 1
158 . 1 . 1 10 10 G H1 H 1 12.436 0.000 . 1 . . . . A 26 G H1 . 31099 1
159 . 1 . 1 10 10 G H1' H 1 5.803 0.005 . 1 . . . . A 26 G H1' . 31099 1
160 . 1 . 1 10 10 G H2' H 1 4.788 0.001 . 1 . . . . A 26 G H2' . 31099 1
161 . 1 . 1 10 10 G H3' H 1 4.679 0.002 . 1 . . . . A 26 G H3' . 31099 1
162 . 1 . 1 10 10 G H4' H 1 4.530 0.004 . 1 . . . . A 26 G H4' . 31099 1
163 . 1 . 1 10 10 G H5' H 1 4.423 0.000 . 1 . . . . A 26 G H5' . 31099 1
164 . 1 . 1 10 10 G H5'' H 1 4.199 0.001 . 1 . . . . A 26 G H5'' . 31099 1
165 . 1 . 1 10 10 G H8 H 1 7.850 0.004 . 1 . . . . A 26 G H8 . 31099 1
166 . 1 . 1 10 10 G C1' C 13 92.127 0.036 . 1 . . . . A 26 G C1' . 31099 1
167 . 1 . 1 10 10 G C2' C 13 75.442 0.039 . 1 . . . . A 26 G C2' . 31099 1
168 . 1 . 1 10 10 G C3' C 13 74.187 0.045 . 1 . . . . A 26 G C3' . 31099 1
169 . 1 . 1 10 10 G C4' C 13 82.808 0.017 . 1 . . . . A 26 G C4' . 31099 1
170 . 1 . 1 10 10 G C5' C 13 66.654 0.026 . 1 . . . . A 26 G C5' . 31099 1
171 . 1 . 1 10 10 G C8 C 13 137.523 0.019 . 1 . . . . A 26 G C8 . 31099 1
172 . 1 . 1 10 10 G N1 N 15 147.385 0.000 . 1 . . . . A 26 G N1 . 31099 1
173 . 1 . 1 10 10 G N7 N 15 233.800 0.000 . 1 . . . . A 26 G N7 . 31099 1
174 . 1 . 1 10 10 G N9 N 15 169.189 0.026 . 1 . . . . A 26 G N9 . 31099 1
175 . 1 . 1 10 10 G P P 31 -0.612 0.057 . 1 . . . . A 26 G P . 31099 1
176 . 1 . 1 11 11 A H1' H 1 6.038 0.002 . 1 . . . . A 27 A H1' . 31099 1
177 . 1 . 1 11 11 A H2 H 1 7.544 0.002 . 1 . . . . A 27 A H2 . 31099 1
178 . 1 . 1 11 11 A H2' H 1 4.803 0.005 . 1 . . . . A 27 A H2' . 31099 1
179 . 1 . 1 11 11 A H3' H 1 4.668 0.004 . 1 . . . . A 27 A H3' . 31099 1
180 . 1 . 1 11 11 A H4' H 1 4.582 0.003 . 1 . . . . A 27 A H4' . 31099 1
181 . 1 . 1 11 11 A H5' H 1 4.548 0.000 . 1 . . . . A 27 A H5' . 31099 1
182 . 1 . 1 11 11 A H5'' H 1 4.246 0.000 . 1 . . . . A 27 A H5'' . 31099 1
183 . 1 . 1 11 11 A H8 H 1 7.873 0.002 . 1 . . . . A 27 A H8 . 31099 1
184 . 1 . 1 11 11 A C1' C 13 93.065 0.013 . 1 . . . . A 27 A C1' . 31099 1
185 . 1 . 1 11 11 A C2 C 13 153.442 0.011 . 1 . . . . A 27 A C2 . 31099 1
186 . 1 . 1 11 11 A C2' C 13 75.646 0.073 . 1 . . . . A 27 A C2' . 31099 1
187 . 1 . 1 11 11 A C3' C 13 73.390 0.021 . 1 . . . . A 27 A C3' . 31099 1
188 . 1 . 1 11 11 A C4' C 13 82.395 0.015 . 1 . . . . A 27 A C4' . 31099 1
189 . 1 . 1 11 11 A C5' C 13 66.107 0.024 . 1 . . . . A 27 A C5' . 31099 1
190 . 1 . 1 11 11 A C8 C 13 139.842 0.001 . 1 . . . . A 27 A C8 . 31099 1
191 . 1 . 1 11 11 A N1 N 15 221.481 0.000 . 1 . . . . A 27 A N1 . 31099 1
192 . 1 . 1 11 11 A N3 N 15 212.349 0.000 . 1 . . . . A 27 A N3 . 31099 1
193 . 1 . 1 11 11 A N7 N 15 229.270 0.000 . 1 . . . . A 27 A N7 . 31099 1
194 . 1 . 1 11 11 A N9 N 15 170.132 0.029 . 1 . . . . A 27 A N9 . 31099 1
195 . 1 . 1 11 11 A P P 31 -0.695 0.059 . 1 . . . . A 27 A P . 31099 1
196 . 1 . 1 12 12 G H1 H 1 13.515 0.000 . 1 . . . . A 28 G H1 . 31099 1
197 . 1 . 1 12 12 G H1' H 1 5.682 0.002 . 1 . . . . A 28 G H1' . 31099 1
198 . 1 . 1 12 12 G H2' H 1 4.494 0.002 . 1 . . . . A 28 G H2' . 31099 1
199 . 1 . 1 12 12 G H3' H 1 4.408 0.004 . 1 . . . . A 28 G H3' . 31099 1
200 . 1 . 1 12 12 G H4' H 1 4.496 0.003 . 1 . . . . A 28 G H4' . 31099 1
201 . 1 . 1 12 12 G H5' H 1 4.482 0.004 . 1 . . . . A 28 G H5' . 31099 1
202 . 1 . 1 12 12 G H5'' H 1 4.091 0.003 . 1 . . . . A 28 G H5'' . 31099 1
203 . 1 . 1 12 12 G H8 H 1 7.235 0.002 . 1 . . . . A 28 G H8 . 31099 1
204 . 1 . 1 12 12 G C1' C 13 92.872 0.029 . 1 . . . . A 28 G C1' . 31099 1
205 . 1 . 1 12 12 G C2' C 13 75.303 0.025 . 1 . . . . A 28 G C2' . 31099 1
206 . 1 . 1 12 12 G C3' C 13 72.944 0.020 . 1 . . . . A 28 G C3' . 31099 1
207 . 1 . 1 12 12 G C4' C 13 82.048 0.022 . 1 . . . . A 28 G C4' . 31099 1
208 . 1 . 1 12 12 G C5' C 13 65.865 0.011 . 1 . . . . A 28 G C5' . 31099 1
209 . 1 . 1 12 12 G C8 C 13 135.701 0.021 . 1 . . . . A 28 G C8 . 31099 1
210 . 1 . 1 12 12 G N1 N 15 148.533 0.000 . 1 . . . . A 28 G N1 . 31099 1
211 . 1 . 1 12 12 G N7 N 15 233.862 0.000 . 1 . . . . A 28 G N7 . 31099 1
212 . 1 . 1 12 12 G N9 N 15 169.048 0.019 . 1 . . . . A 28 G N9 . 31099 1
213 . 1 . 1 12 12 G P P 31 -0.917 0.058 . 1 . . . . A 28 G P . 31099 1
214 . 1 . 1 13 13 C H1' H 1 5.500 0.002 . 1 . . . . A 29 C H1' . 31099 1
215 . 1 . 1 13 13 C H2' H 1 4.251 0.005 . 1 . . . . A 29 C H2' . 31099 1
216 . 1 . 1 13 13 C H3' H 1 4.417 0.002 . 1 . . . . A 29 C H3' . 31099 1
217 . 1 . 1 13 13 C H4' H 1 4.382 0.003 . 1 . . . . A 29 C H4' . 31099 1
218 . 1 . 1 13 13 C H5 H 1 5.150 0.002 . 1 . . . . A 29 C H5 . 31099 1
219 . 1 . 1 13 13 C H5' H 1 4.564 0.000 . 1 . . . . A 29 C H5' . 31099 1
220 . 1 . 1 13 13 C H5'' H 1 4.057 0.001 . 1 . . . . A 29 C H5'' . 31099 1
221 . 1 . 1 13 13 C H6 H 1 7.531 0.002 . 1 . . . . A 29 C H6 . 31099 1
222 . 1 . 1 13 13 C C1' C 13 94.451 0.024 . 1 . . . . A 29 C C1' . 31099 1
223 . 1 . 1 13 13 C C2' C 13 75.470 0.025 . 1 . . . . A 29 C C2' . 31099 1
224 . 1 . 1 13 13 C C3' C 13 72.117 0.024 . 1 . . . . A 29 C C3' . 31099 1
225 . 1 . 1 13 13 C C4' C 13 82.057 0.020 . 1 . . . . A 29 C C4' . 31099 1
226 . 1 . 1 13 13 C C5 C 13 97.185 0.000 . 1 . . . . A 29 C C5 . 31099 1
227 . 1 . 1 13 13 C C5' C 13 64.358 0.012 . 1 . . . . A 29 C C5' . 31099 1
228 . 1 . 1 13 13 C C6 C 13 140.884 0.003 . 1 . . . . A 29 C C6 . 31099 1
229 . 1 . 1 13 13 C N1 N 15 151.125 0.007 . 1 . . . . A 29 C N1 . 31099 1
230 . 1 . 1 13 13 C P P 31 -1.398 0.055 . 1 . . . . A 29 C P . 31099 1
231 . 1 . 1 14 14 C H1' H 1 5.887 0.003 . 1 . . . . A 30 C H1' . 31099 1
232 . 1 . 1 14 14 C H2' H 1 4.483 0.102 . 1 . . . . A 30 C H2' . 31099 1
233 . 1 . 1 14 14 C H3' H 1 4.401 0.068 . 1 . . . . A 30 C H3' . 31099 1
234 . 1 . 1 14 14 C H4' H 1 4.370 0.005 . 1 . . . . A 30 C H4' . 31099 1
235 . 1 . 1 14 14 C H5 H 1 5.546 0.002 . 1 . . . . A 30 C H5 . 31099 1
236 . 1 . 1 14 14 C H5' H 1 4.449 0.001 . 1 . . . . A 30 C H5' . 31099 1
237 . 1 . 1 14 14 C H5'' H 1 4.058 0.002 . 1 . . . . A 30 C H5'' . 31099 1
238 . 1 . 1 14 14 C H6 H 1 7.655 0.003 . 1 . . . . A 30 C H6 . 31099 1
239 . 1 . 1 14 14 C C1' C 13 91.879 0.022 . 1 . . . . A 30 C C1' . 31099 1
240 . 1 . 1 14 14 C C2' C 13 75.377 0.000 . 1 . . . . A 30 C C2' . 31099 1
241 . 1 . 1 14 14 C C3' C 13 75.879 0.025 . 1 . . . . A 30 C C3' . 31099 1
242 . 1 . 1 14 14 C C4' C 13 83.868 0.024 . 1 . . . . A 30 C C4' . 31099 1
243 . 1 . 1 14 14 C C5 C 13 98.766 0.000 . 1 . . . . A 30 C C5 . 31099 1
244 . 1 . 1 14 14 C C5' C 13 65.867 0.014 . 1 . . . . A 30 C C5' . 31099 1
245 . 1 . 1 14 14 C C6 C 13 141.933 0.001 . 1 . . . . A 30 C C6 . 31099 1
246 . 1 . 1 14 14 C N1 N 15 149.709 0.016 . 1 . . . . A 30 C N1 . 31099 1
247 . 1 . 1 14 14 C P P 31 -1.277 0.047 . 1 . . . . A 30 C P . 31099 1
248 . 1 . 1 15 15 U H1' H 1 5.729 0.002 . 1 . . . . A 31 U H1' . 31099 1
249 . 1 . 1 15 15 U H2' H 1 4.281 0.008 . 1 . . . . A 31 U H2' . 31099 1
250 . 1 . 1 15 15 U H3' H 1 4.511 0.003 . 1 . . . . A 31 U H3' . 31099 1
251 . 1 . 1 15 15 U H4' H 1 4.257 0.001 . 1 . . . . A 31 U H4' . 31099 1
252 . 1 . 1 15 15 U H5 H 1 5.788 0.004 . 1 . . . . A 31 U H5 . 31099 1
253 . 1 . 1 15 15 U H5' H 1 3.977 0.002 . 1 . . . . A 31 U H5' . 31099 1
254 . 1 . 1 15 15 U H6 H 1 7.753 0.003 . 1 . . . . A 31 U H6 . 31099 1
255 . 1 . 1 15 15 U C1' C 13 90.985 0.023 . 1 . . . . A 31 U C1' . 31099 1
256 . 1 . 1 15 15 U C2' C 13 75.580 0.022 . 1 . . . . A 31 U C2' . 31099 1
257 . 1 . 1 15 15 U C3' C 13 76.442 0.025 . 1 . . . . A 31 U C3' . 31099 1
258 . 1 . 1 15 15 U C4' C 13 84.819 0.012 . 1 . . . . A 31 U C4' . 31099 1
259 . 1 . 1 15 15 U C5 C 13 105.197 0.000 . 1 . . . . A 31 U C5 . 31099 1
260 . 1 . 1 15 15 U C5' C 13 67.304 0.017 . 1 . . . . A 31 U C5' . 31099 1
261 . 1 . 1 15 15 U C6 C 13 143.380 0.002 . 1 . . . . A 31 U C6 . 31099 1
262 . 1 . 1 15 15 U N1 N 15 144.161 0.006 . 1 . . . . A 31 U N1 . 31099 1
263 . 1 . 1 15 15 U P P 31 -0.864 0.050 . 1 . . . . A 31 U P . 31099 1
264 . 1 . 1 16 16 G H1' H 1 5.495 0.003 . 1 . . . . A 32 G H1' . 31099 1
265 . 1 . 1 16 16 G H2' H 1 4.635 0.005 . 1 . . . . A 32 G H2' . 31099 1
266 . 1 . 1 16 16 G H3' H 1 4.625 0.005 . 1 . . . . A 32 G H3' . 31099 1
267 . 1 . 1 16 16 G H4' H 1 4.123 0.001 . 1 . . . . A 32 G H4' . 31099 1
268 . 1 . 1 16 16 G H5' H 1 4.002 0.000 . 1 . . . . A 32 G H5' . 31099 1
269 . 1 . 1 16 16 G H8 H 1 7.802 0.002 . 1 . . . . A 32 G H8 . 31099 1
270 . 1 . 1 16 16 G C1' C 13 89.535 0.014 . 1 . . . . A 32 G C1' . 31099 1
271 . 1 . 1 16 16 G C2' C 13 75.323 0.021 . 1 . . . . A 32 G C2' . 31099 1
272 . 1 . 1 16 16 G C3' C 13 77.803 0.020 . 1 . . . . A 32 G C3' . 31099 1
273 . 1 . 1 16 16 G C4' C 13 85.181 0.012 . 1 . . . . A 32 G C4' . 31099 1
274 . 1 . 1 16 16 G C5' C 13 67.794 0.008 . 1 . . . . A 32 G C5' . 31099 1
275 . 1 . 1 16 16 G C8 C 13 140.596 0.006 . 1 . . . . A 32 G C8 . 31099 1
276 . 1 . 1 16 16 G N7 N 15 235.819 0.000 . 1 . . . . A 32 G N7 . 31099 1
277 . 1 . 1 16 16 G N9 N 15 167.121 0.008 . 1 . . . . A 32 G N9 . 31099 1
278 . 1 . 1 16 16 G P P 31 -0.608 0.060 . 1 . . . . A 32 G P . 31099 1
279 . 1 . 1 17 17 G H1' H 1 5.515 0.002 . 1 . . . . A 33 G H1' . 31099 1
280 . 1 . 1 17 17 G H2' H 1 4.521 0.001 . 1 . . . . A 33 G H2' . 31099 1
281 . 1 . 1 17 17 G H3' H 1 4.663 0.001 . 1 . . . . A 33 G H3' . 31099 1
282 . 1 . 1 17 17 G H4' H 1 4.004 0.002 . 1 . . . . A 33 G H4' . 31099 1
283 . 1 . 1 17 17 G H5' H 1 3.896 0.006 . 1 . . . . A 33 G H5' . 31099 1
284 . 1 . 1 17 17 G H8 H 1 7.650 0.002 . 1 . . . . A 33 G H8 . 31099 1
285 . 1 . 1 17 17 G C1' C 13 89.889 0.010 . 1 . . . . A 33 G C1' . 31099 1
286 . 1 . 1 17 17 G C2' C 13 75.768 0.058 . 1 . . . . A 33 G C2' . 31099 1
287 . 1 . 1 17 17 G C3' C 13 77.286 0.043 . 1 . . . . A 33 G C3' . 31099 1
288 . 1 . 1 17 17 G C4' C 13 84.738 0.018 . 1 . . . . A 33 G C4' . 31099 1
289 . 1 . 1 17 17 G C5' C 13 67.814 0.009 . 1 . . . . A 33 G C5' . 31099 1
290 . 1 . 1 17 17 G C8 C 13 139.519 0.011 . 1 . . . . A 33 G C8 . 31099 1
291 . 1 . 1 17 17 G N7 N 15 235.620 0.000 . 1 . . . . A 33 G N7 . 31099 1
292 . 1 . 1 17 17 G N9 N 15 168.901 0.020 . 1 . . . . A 33 G N9 . 31099 1
293 . 1 . 1 17 17 G P P 31 -0.657 0.060 . 1 . . . . A 33 G P . 31099 1
294 . 1 . 1 18 18 G H1' H 1 5.941 0.001 . 1 . . . . A 34 G H1' . 31099 1
295 . 1 . 1 18 18 G H2' H 1 4.960 0.007 . 1 . . . . A 34 G H2' . 31099 1
296 . 1 . 1 18 18 G H3' H 1 5.001 0.011 . 1 . . . . A 34 G H3' . 31099 1
297 . 1 . 1 18 18 G H4' H 1 4.500 0.002 . 1 . . . . A 34 G H4' . 31099 1
298 . 1 . 1 18 18 G H5' H 1 4.125 0.002 . 1 . . . . A 34 G H5' . 31099 1
299 . 1 . 1 18 18 G H5'' H 1 4.222 0.002 . 1 . . . . A 34 G H5'' . 31099 1
300 . 1 . 1 18 18 G H8 H 1 7.902 0.002 . 1 . . . . A 34 G H8 . 31099 1
301 . 1 . 1 18 18 G C1' C 13 89.374 0.015 . 1 . . . . A 34 G C1' . 31099 1
302 . 1 . 1 18 18 G C2' C 13 75.679 0.029 . 1 . . . . A 34 G C2' . 31099 1
303 . 1 . 1 18 18 G C3' C 13 76.405 0.039 . 1 . . . . A 34 G C3' . 31099 1
304 . 1 . 1 18 18 G C4' C 13 84.546 0.029 . 1 . . . . A 34 G C4' . 31099 1
305 . 1 . 1 18 18 G C5' C 13 67.577 0.016 . 1 . . . . A 34 G C5' . 31099 1
306 . 1 . 1 18 18 G C8 C 13 138.930 0.014 . 1 . . . . A 34 G C8 . 31099 1
307 . 1 . 1 18 18 G N7 N 15 236.526 0.000 . 1 . . . . A 34 G N7 . 31099 1
308 . 1 . 1 18 18 G N9 N 15 169.149 0.038 . 1 . . . . A 34 G N9 . 31099 1
309 . 1 . 1 18 18 G P P 31 -0.743 0.059 . 1 . . . . A 34 G P . 31099 1
310 . 1 . 1 19 19 A H1' H 1 6.050 0.003 . 1 . . . . A 35 A H1' . 31099 1
311 . 1 . 1 19 19 A H2 H 1 8.232 0.001 . 1 . . . . A 35 A H2 . 31099 1
312 . 1 . 1 19 19 A H2' H 1 4.869 0.004 . 1 . . . . A 35 A H2' . 31099 1
313 . 1 . 1 19 19 A H3' H 1 4.918 0.003 . 1 . . . . A 35 A H3' . 31099 1
314 . 1 . 1 19 19 A H4' H 1 4.625 0.001 . 1 . . . . A 35 A H4' . 31099 1
315 . 1 . 1 19 19 A H5' H 1 4.357 0.001 . 1 . . . . A 35 A H5' . 31099 1
316 . 1 . 1 19 19 A H8 H 1 8.424 0.002 . 1 . . . . A 35 A H8 . 31099 1
317 . 1 . 1 19 19 A C1' C 13 90.735 0.033 . 1 . . . . A 35 A C1' . 31099 1
318 . 1 . 1 19 19 A C2' C 13 76.205 0.030 . 1 . . . . A 35 A C2' . 31099 1
319 . 1 . 1 19 19 A C3' C 13 75.857 0.024 . 1 . . . . A 35 A C3' . 31099 1
320 . 1 . 1 19 19 A C4' C 13 85.084 0.018 . 1 . . . . A 35 A C4' . 31099 1
321 . 1 . 1 19 19 A C5' C 13 68.255 0.012 . 1 . . . . A 35 A C5' . 31099 1
322 . 1 . 1 19 19 A C8 C 13 142.601 0.019 . 1 . . . . A 35 A C8 . 31099 1
323 . 1 . 1 19 19 A N1 N 15 218.361 0.000 . 1 . . . . A 35 A N1 . 31099 1
324 . 1 . 1 19 19 A N3 N 15 218.361 0.000 . 1 . . . . A 35 A N3 . 31099 1
325 . 1 . 1 19 19 A N7 N 15 232.264 0.000 . 1 . . . . A 35 A N7 . 31099 1
326 . 1 . 1 19 19 A N9 N 15 169.234 0.030 . 1 . . . . A 35 A N9 . 31099 1
327 . 1 . 1 19 19 A P P 31 -0.414 0.058 . 1 . . . . A 35 A P . 31099 1
328 . 1 . 1 20 20 G H1 H 1 13.240 0.000 . 1 . . . . A 36 G H1 . 31099 1
329 . 1 . 1 20 20 G H1' H 1 5.503 0.003 . 1 . . . . A 36 G H1' . 31099 1
330 . 1 . 1 20 20 G H2' H 1 4.558 0.003 . 1 . . . . A 36 G H2' . 31099 1
331 . 1 . 1 20 20 G H3' H 1 4.472 0.002 . 1 . . . . A 36 G H3' . 31099 1
332 . 1 . 1 20 20 G H4' H 1 4.520 0.003 . 1 . . . . A 36 G H4' . 31099 1
333 . 1 . 1 20 20 G H5' H 1 4.475 0.001 . 1 . . . . A 36 G H5' . 31099 1
334 . 1 . 1 20 20 G H5'' H 1 4.183 0.001 . 1 . . . . A 36 G H5'' . 31099 1
335 . 1 . 1 20 20 G H8 H 1 7.417 0.004 . 1 . . . . A 36 G H8 . 31099 1
336 . 1 . 1 20 20 G C1' C 13 93.398 0.016 . 1 . . . . A 36 G C1' . 31099 1
337 . 1 . 1 20 20 G C2' C 13 74.935 0.003 . 1 . . . . A 36 G C2' . 31099 1
338 . 1 . 1 20 20 G C3' C 13 73.417 0.005 . 1 . . . . A 36 G C3' . 31099 1
339 . 1 . 1 20 20 G C4' C 13 82.904 0.021 . 1 . . . . A 36 G C4' . 31099 1
340 . 1 . 1 20 20 G C5' C 13 66.350 0.012 . 1 . . . . A 36 G C5' . 31099 1
341 . 1 . 1 20 20 G C8 C 13 136.810 0.018 . 1 . . . . A 36 G C8 . 31099 1
342 . 1 . 1 20 20 G N1 N 15 148.579 0.000 . 1 . . . . A 36 G N1 . 31099 1
343 . 1 . 1 20 20 G N7 N 15 233.317 0.000 . 1 . . . . A 36 G N7 . 31099 1
344 . 1 . 1 20 20 G N9 N 15 169.050 0.015 . 1 . . . . A 36 G N9 . 31099 1
345 . 1 . 1 20 20 G P P 31 -0.569 0.394 . 1 . . . . A 36 G P . 31099 1
346 . 1 . 1 21 21 C H1' H 1 5.572 0.007 . 1 . . . . A 37 C H1' . 31099 1
347 . 1 . 1 21 21 C H2' H 1 4.381 0.005 . 1 . . . . A 37 C H2' . 31099 1
348 . 1 . 1 21 21 C H3' H 1 4.500 0.008 . 1 . . . . A 37 C H3' . 31099 1
349 . 1 . 1 21 21 C H4' H 1 4.447 0.001 . 1 . . . . A 37 C H4' . 31099 1
350 . 1 . 1 21 21 C H5 H 1 5.255 0.001 . 1 . . . . A 37 C H5 . 31099 1
351 . 1 . 1 21 21 C H5' H 1 4.582 0.004 . 1 . . . . A 37 C H5' . 31099 1
352 . 1 . 1 21 21 C H5'' H 1 4.090 0.000 . 1 . . . . A 37 C H5'' . 31099 1
353 . 1 . 1 21 21 C H6 H 1 7.789 0.004 . 1 . . . . A 37 C H6 . 31099 1
354 . 1 . 1 21 21 C C1' C 13 94.070 0.033 . 1 . . . . A 37 C C1' . 31099 1
355 . 1 . 1 21 21 C C2' C 13 75.469 0.017 . 1 . . . . A 37 C C2' . 31099 1
356 . 1 . 1 21 21 C C3' C 13 72.050 0.017 . 1 . . . . A 37 C C3' . 31099 1
357 . 1 . 1 21 21 C C4' C 13 81.943 0.023 . 1 . . . . A 37 C C4' . 31099 1
358 . 1 . 1 21 21 C C5 C 13 96.808 0.000 . 1 . . . . A 37 C C5 . 31099 1
359 . 1 . 1 21 21 C C5' C 13 64.357 0.014 . 1 . . . . A 37 C C5' . 31099 1
360 . 1 . 1 21 21 C C6 C 13 141.464 0.001 . 1 . . . . A 37 C C6 . 31099 1
361 . 1 . 1 21 21 C N1 N 15 151.445 0.007 . 1 . . . . A 37 C N1 . 31099 1
362 . 1 . 1 21 21 C P P 31 -1.640 0.055 . 1 . . . . A 37 C P . 31099 1
363 . 1 . 1 22 22 U H1' H 1 5.603 0.005 . 1 . . . . A 38 U H1' . 31099 1
364 . 1 . 1 22 22 U H2' H 1 4.550 0.004 . 1 . . . . A 38 U H2' . 31099 1
365 . 1 . 1 22 22 U H3 H 1 14.010 0.000 . 1 . . . . A 38 U H3 . 31099 1
366 . 1 . 1 22 22 U H3' H 1 4.529 0.004 . 1 . . . . A 38 U H3' . 31099 1
367 . 1 . 1 22 22 U H4' H 1 4.439 0.003 . 1 . . . . A 38 U H4' . 31099 1
368 . 1 . 1 22 22 U H5 H 1 5.433 0.004 . 1 . . . . A 38 U H5 . 31099 1
369 . 1 . 1 22 22 U H5' H 1 4.573 0.001 . 1 . . . . A 38 U H5' . 31099 1
370 . 1 . 1 22 22 U H5'' H 1 4.108 0.001 . 1 . . . . A 38 U H5'' . 31099 1
371 . 1 . 1 22 22 U H6 H 1 7.897 0.005 . 1 . . . . A 38 U H6 . 31099 1
372 . 1 . 1 22 22 U C1' C 13 93.770 0.019 . 1 . . . . A 38 U C1' . 31099 1
373 . 1 . 1 22 22 U C2' C 13 75.392 0.052 . 1 . . . . A 38 U C2' . 31099 1
374 . 1 . 1 22 22 U C3' C 13 72.300 0.029 . 1 . . . . A 38 U C3' . 31099 1
375 . 1 . 1 22 22 U C4' C 13 82.052 0.037 . 1 . . . . A 38 U C4' . 31099 1
376 . 1 . 1 22 22 U C5 C 13 103.339 0.000 . 1 . . . . A 38 U C5 . 31099 1
377 . 1 . 1 22 22 U C5' C 13 64.480 0.040 . 1 . . . . A 38 U C5' . 31099 1
378 . 1 . 1 22 22 U C6 C 13 142.062 0.003 . 1 . . . . A 38 U C6 . 31099 1
379 . 1 . 1 22 22 U N1 N 15 146.683 0.021 . 1 . . . . A 38 U N1 . 31099 1
380 . 1 . 1 22 22 U N3 N 15 162.438 0.000 . 1 . . . . A 38 U N3 . 31099 1
381 . 1 . 1 22 22 U P P 31 -1.198 0.056 . 1 . . . . A 38 U P . 31099 1
382 . 1 . 1 23 23 C H1' H 1 5.625 0.002 . 1 . . . . A 39 C H1' . 31099 1
383 . 1 . 1 23 23 C H2' H 1 4.376 0.004 . 1 . . . . A 39 C H2' . 31099 1
384 . 1 . 1 23 23 C H3' H 1 4.349 0.006 . 1 . . . . A 39 C H3' . 31099 1
385 . 1 . 1 23 23 C H4' H 1 4.473 0.006 . 1 . . . . A 39 C H4' . 31099 1
386 . 1 . 1 23 23 C H5 H 1 5.666 0.000 . 1 . . . . A 39 C H5 . 31099 1
387 . 1 . 1 23 23 C H5' H 1 4.500 0.002 . 1 . . . . A 39 C H5' . 31099 1
388 . 1 . 1 23 23 C H5'' H 1 4.121 0.000 . 1 . . . . A 39 C H5'' . 31099 1
389 . 1 . 1 23 23 C H6 H 1 7.743 0.003 . 1 . . . . A 39 C H6 . 31099 1
390 . 1 . 1 23 23 C C1' C 13 93.927 0.027 . 1 . . . . A 39 C C1' . 31099 1
391 . 1 . 1 23 23 C C2' C 13 75.806 0.035 . 1 . . . . A 39 C C2' . 31099 1
392 . 1 . 1 23 23 C C3' C 13 73.080 0.021 . 1 . . . . A 39 C C3' . 31099 1
393 . 1 . 1 23 23 C C4' C 13 82.365 0.021 . 1 . . . . A 39 C C4' . 31099 1
394 . 1 . 1 23 23 C C5 C 13 97.966 0.000 . 1 . . . . A 39 C C5 . 31099 1
395 . 1 . 1 23 23 C C5' C 13 65.598 0.016 . 1 . . . . A 39 C C5' . 31099 1
396 . 1 . 1 23 23 C C6 C 13 141.538 0.000 . 1 . . . . A 39 C C6 . 31099 1
397 . 1 . 1 23 23 C N1 N 15 151.320 0.007 . 1 . . . . A 39 C N1 . 31099 1
398 . 1 . 1 23 23 C P P 31 -1.050 0.052 . 1 . . . . A 39 C P . 31099 1
399 . 1 . 1 24 24 U H1' H 1 5.669 0.003 . 1 . . . . A 40 U H1' . 31099 1
400 . 1 . 1 24 24 U H2' H 1 4.333 0.002 . 1 . . . . A 40 U H2' . 31099 1
401 . 1 . 1 24 24 U H3' H 1 4.561 0.003 . 1 . . . . A 40 U H3' . 31099 1
402 . 1 . 1 24 24 U H4' H 1 4.410 0.004 . 1 . . . . A 40 U H4' . 31099 1
403 . 1 . 1 24 24 U H5 H 1 5.640 0.004 . 1 . . . . A 40 U H5 . 31099 1
404 . 1 . 1 24 24 U H5' H 1 4.472 0.001 . 1 . . . . A 40 U H5' . 31099 1
405 . 1 . 1 24 24 U H5'' H 1 4.133 0.001 . 1 . . . . A 40 U H5'' . 31099 1
406 . 1 . 1 24 24 U H6 H 1 7.832 0.006 . 1 . . . . A 40 U H6 . 31099 1
407 . 1 . 1 24 24 U C1' C 13 93.123 0.019 . 1 . . . . A 40 U C1' . 31099 1
408 . 1 . 1 24 24 U C2' C 13 75.668 0.014 . 1 . . . . A 40 U C2' . 31099 1
409 . 1 . 1 24 24 U C3' C 13 73.363 0.032 . 1 . . . . A 40 U C3' . 31099 1
410 . 1 . 1 24 24 U C4' C 13 83.295 0.022 . 1 . . . . A 40 U C4' . 31099 1
411 . 1 . 1 24 24 U C5 C 13 104.433 0.000 . 1 . . . . A 40 U C5 . 31099 1
412 . 1 . 1 24 24 U C5' C 13 65.175 0.015 . 1 . . . . A 40 U C5' . 31099 1
413 . 1 . 1 24 24 U C6 C 13 141.880 0.004 . 1 . . . . A 40 U C6 . 31099 1
414 . 1 . 1 24 24 U N1 N 15 146.048 0.009 . 1 . . . . A 40 U N1 . 31099 1
415 . 1 . 1 24 24 U P P 31 -1.258 0.051 . 1 . . . . A 40 U P . 31099 1
416 . 1 . 1 25 25 C H1' H 1 5.493 0.002 . 1 . . . . A 41 C H1' . 31099 1
417 . 1 . 1 25 25 C H2' H 1 4.377 0.002 . 1 . . . . A 41 C H2' . 31099 1
418 . 1 . 1 25 25 C H3' H 1 4.471 0.003 . 1 . . . . A 41 C H3' . 31099 1
419 . 1 . 1 25 25 C H4' H 1 4.451 0.002 . 1 . . . . A 41 C H4' . 31099 1
420 . 1 . 1 25 25 C H5 H 1 5.897 0.001 . 1 . . . . A 41 C H5 . 31099 1
421 . 1 . 1 25 25 C H5' H 1 4.433 0.000 . 1 . . . . A 41 C H5' . 31099 1
422 . 1 . 1 25 25 C H5'' H 1 4.139 0.002 . 1 . . . . A 41 C H5'' . 31099 1
423 . 1 . 1 25 25 C H6 H 1 7.976 0.002 . 1 . . . . A 41 C H6 . 31099 1
424 . 1 . 1 25 25 C C1' C 13 94.103 0.030 . 1 . . . . A 41 C C1' . 31099 1
425 . 1 . 1 25 25 C C2' C 13 75.356 0.032 . 1 . . . . A 41 C C2' . 31099 1
426 . 1 . 1 25 25 C C3' C 13 72.903 0.010 . 1 . . . . A 41 C C3' . 31099 1
427 . 1 . 1 25 25 C C4' C 13 82.362 0.058 . 1 . . . . A 41 C C4' . 31099 1
428 . 1 . 1 25 25 C C5 C 13 98.201 0.000 . 1 . . . . A 41 C C5 . 31099 1
429 . 1 . 1 25 25 C C5' C 13 65.407 0.014 . 1 . . . . A 41 C C5' . 31099 1
430 . 1 . 1 25 25 C C6 C 13 142.340 0.000 . 1 . . . . A 41 C C6 . 31099 1
431 . 1 . 1 25 25 C N1 N 15 151.171 0.003 . 1 . . . . A 41 C N1 . 31099 1
432 . 1 . 1 25 25 C P P 31 -1.071 0.050 . 1 . . . . A 41 C P . 31099 1
433 . 1 . 1 26 26 U H1' H 1 5.489 0.004 . 1 . . . . A 42 U H1' . 31099 1
434 . 1 . 1 26 26 U H2' H 1 4.598 0.010 . 1 . . . . A 42 U H2' . 31099 1
435 . 1 . 1 26 26 U H3 H 1 13.326 0.000 . 1 . . . . A 42 U H3 . 31099 1
436 . 1 . 1 26 26 U H3' H 1 4.607 0.003 . 1 . . . . A 42 U H3' . 31099 1
437 . 1 . 1 26 26 U H4' H 1 4.444 0.003 . 1 . . . . A 42 U H4' . 31099 1
438 . 1 . 1 26 26 U H5 H 1 5.443 0.002 . 1 . . . . A 42 U H5 . 31099 1
439 . 1 . 1 26 26 U H5' H 1 4.558 0.002 . 1 . . . . A 42 U H5' . 31099 1
440 . 1 . 1 26 26 U H5'' H 1 4.127 0.000 . 1 . . . . A 42 U H5'' . 31099 1
441 . 1 . 1 26 26 U H6 H 1 7.874 0.003 . 1 . . . . A 42 U H6 . 31099 1
442 . 1 . 1 26 26 U C1' C 13 93.604 0.050 . 1 . . . . A 42 U C1' . 31099 1
443 . 1 . 1 26 26 U C2' C 13 75.133 0.009 . 1 . . . . A 42 U C2' . 31099 1
444 . 1 . 1 26 26 U C3' C 13 72.595 0.023 . 1 . . . . A 42 U C3' . 31099 1
445 . 1 . 1 26 26 U C4' C 13 82.155 0.043 . 1 . . . . A 42 U C4' . 31099 1
446 . 1 . 1 26 26 U C5 C 13 103.700 0.000 . 1 . . . . A 42 U C5 . 31099 1
447 . 1 . 1 26 26 U C5' C 13 64.835 0.006 . 1 . . . . A 42 U C5' . 31099 1
448 . 1 . 1 26 26 U C6 C 13 141.944 0.005 . 1 . . . . A 42 U C6 . 31099 1
449 . 1 . 1 26 26 U N1 N 15 145.716 0.010 . 1 . . . . A 42 U N1 . 31099 1
450 . 1 . 1 26 26 U N3 N 15 162.169 0.000 . 1 . . . . A 42 U N3 . 31099 1
451 . 1 . 1 26 26 U P P 31 -1.289 0.050 . 1 . . . . A 42 U P . 31099 1
452 . 1 . 1 27 27 G H1 H 1 12.510 0.000 . 1 . . . . A 43 G H1 . 31099 1
453 . 1 . 1 27 27 G H1' H 1 5.793 0.001 . 1 . . . . A 43 G H1' . 31099 1
454 . 1 . 1 27 27 G H2' H 1 4.488 0.003 . 1 . . . . A 43 G H2' . 31099 1
455 . 1 . 1 27 27 G H3' H 1 4.608 0.003 . 1 . . . . A 43 G H3' . 31099 1
456 . 1 . 1 27 27 G H4' H 1 4.482 0.004 . 1 . . . . A 43 G H4' . 31099 1
457 . 1 . 1 27 27 G H5' H 1 4.536 0.003 . 1 . . . . A 43 G H5' . 31099 1
458 . 1 . 1 27 27 G H5'' H 1 4.143 0.000 . 1 . . . . A 43 G H5'' . 31099 1
459 . 1 . 1 27 27 G H8 H 1 7.776 0.006 . 1 . . . . A 43 G H8 . 31099 1
460 . 1 . 1 27 27 G C1' C 13 92.765 0.023 . 1 . . . . A 43 G C1' . 31099 1
461 . 1 . 1 27 27 G C2' C 13 75.355 0.011 . 1 . . . . A 43 G C2' . 31099 1
462 . 1 . 1 27 27 G C3' C 13 72.741 0.019 . 1 . . . . A 43 G C3' . 31099 1
463 . 1 . 1 27 27 G C4' C 13 81.997 0.022 . 1 . . . . A 43 G C4' . 31099 1
464 . 1 . 1 27 27 G C5' C 13 65.303 0.069 . 1 . . . . A 43 G C5' . 31099 1
465 . 1 . 1 27 27 G C8 C 13 136.389 0.015 . 1 . . . . A 43 G C8 . 31099 1
466 . 1 . 1 27 27 G N1 N 15 147.762 0.000 . 1 . . . . A 43 G N1 . 31099 1
467 . 1 . 1 27 27 G N7 N 15 234.050 0.000 . 1 . . . . A 43 G N7 . 31099 1
468 . 1 . 1 27 27 G N9 N 15 169.479 0.018 . 1 . . . . A 43 G N9 . 31099 1
469 . 1 . 1 27 27 G P P 31 -0.986 0.053 . 1 . . . . A 43 G P . 31099 1
470 . 1 . 1 28 28 C H1' H 1 5.469 0.003 . 1 . . . . A 44 C H1' . 31099 1
471 . 1 . 1 28 28 C H2' H 1 4.217 0.002 . 1 . . . . A 44 C H2' . 31099 1
472 . 1 . 1 28 28 C H3' H 1 4.433 0.003 . 1 . . . . A 44 C H3' . 31099 1
473 . 1 . 1 28 28 C H4' H 1 4.380 0.003 . 1 . . . . A 44 C H4' . 31099 1
474 . 1 . 1 28 28 C H5 H 1 5.204 0.003 . 1 . . . . A 44 C H5 . 31099 1
475 . 1 . 1 28 28 C H5' H 1 4.562 0.002 . 1 . . . . A 44 C H5' . 31099 1
476 . 1 . 1 28 28 C H5'' H 1 4.057 0.002 . 1 . . . . A 44 C H5'' . 31099 1
477 . 1 . 1 28 28 C H6 H 1 7.664 0.003 . 1 . . . . A 44 C H6 . 31099 1
478 . 1 . 1 28 28 C C1' C 13 94.100 0.036 . 1 . . . . A 44 C C1' . 31099 1
479 . 1 . 1 28 28 C C2' C 13 75.559 0.024 . 1 . . . . A 44 C C2' . 31099 1
480 . 1 . 1 28 28 C C3' C 13 71.981 0.018 . 1 . . . . A 44 C C3' . 31099 1
481 . 1 . 1 28 28 C C4' C 13 81.912 0.013 . 1 . . . . A 44 C C4' . 31099 1
482 . 1 . 1 28 28 C C5 C 13 96.905 0.000 . 1 . . . . A 44 C C5 . 31099 1
483 . 1 . 1 28 28 C C5' C 13 64.358 0.006 . 1 . . . . A 44 C C5' . 31099 1
484 . 1 . 1 28 28 C C6 C 13 141.000 0.023 . 1 . . . . A 44 C C6 . 31099 1
485 . 1 . 1 28 28 C N1 N 15 151.136 0.020 . 1 . . . . A 44 C N1 . 31099 1
486 . 1 . 1 28 28 C P P 31 -1.429 0.033 . 1 . . . . A 44 C P . 31099 1
487 . 1 . 1 29 29 C H1' H 1 5.747 0.001 . 1 . . . . A 45 C H1' . 31099 1
488 . 1 . 1 29 29 C H2' H 1 3.996 0.004 . 1 . . . . A 45 C H2' . 31099 1
489 . 1 . 1 29 29 C H3' H 1 4.161 0.006 . 1 . . . . A 45 C H3' . 31099 1
490 . 1 . 1 29 29 C H4' H 1 4.151 0.001 . 1 . . . . A 45 C H4' . 31099 1
491 . 1 . 1 29 29 C H5 H 1 5.505 0.004 . 1 . . . . A 45 C H5 . 31099 1
492 . 1 . 1 29 29 C H5' H 1 4.466 0.003 . 1 . . . . A 45 C H5' . 31099 1
493 . 1 . 1 29 29 C H5'' H 1 4.016 0.002 . 1 . . . . A 45 C H5'' . 31099 1
494 . 1 . 1 29 29 C H6 H 1 7.650 0.007 . 1 . . . . A 45 C H6 . 31099 1
495 . 1 . 1 29 29 C C1' C 13 92.926 0.017 . 1 . . . . A 45 C C1' . 31099 1
496 . 1 . 1 29 29 C C2' C 13 77.548 0.011 . 1 . . . . A 45 C C2' . 31099 1
497 . 1 . 1 29 29 C C3' C 13 69.655 0.014 . 1 . . . . A 45 C C3' . 31099 1
498 . 1 . 1 29 29 C C4' C 13 83.387 0.013 . 1 . . . . A 45 C C4' . 31099 1
499 . 1 . 1 29 29 C C5 C 13 98.174 0.000 . 1 . . . . A 45 C C5 . 31099 1
500 . 1 . 1 29 29 C C5' C 13 65.085 0.026 . 1 . . . . A 45 C C5' . 31099 1
501 . 1 . 1 29 29 C C6 C 13 141.719 0.006 . 1 . . . . A 45 C C6 . 31099 1
502 . 1 . 1 29 29 C N1 N 15 152.433 0.010 . 1 . . . . A 45 C N1 . 31099 1
503 . 1 . 1 29 29 C P P 31 -1.135 0.044 . 1 . . . . A 45 C P . 31099 1
stop_
save_