Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 25604
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_Assigned_chem_shift_list.Chem_shift_31P_err 0.1
_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' . . . 25604 1
2 '2D 1H-13C HSQC' . . . 25604 1
3 'immino-1H-1H NOESY' . . . 25604 1
4 3D-HCCH-COSY-TOCSY . . . 25604 1
6 '2D HNN-COSY' . . . 25604 1
8 '2D COSY' . . . 25604 1
9 '1H-31P HET-COR(P,H-COSY-H,C-HMQC)' . . . 25604 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $CCPN_Analysis . . 25604 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 5.858 0.005 . 1 . . . A 1 G H1' . 25604 1
2 . 1 1 1 1 G H2' H 1 4.878 0.005 . 1 . . . A 1 G H2' . 25604 1
3 . 1 1 1 1 G H3' H 1 4.715 0.004 . 1 . . . A 1 G H3' . 25604 1
4 . 1 1 1 1 G H4' H 1 4.576 0.004 . 1 . . . A 1 G H4' . 25604 1
5 . 1 1 1 1 G H5' H 1 4.270 0.003 . 2 . . . A 1 G H5' . 25604 1
6 . 1 1 1 1 G H5'' H 1 4.447 0.002 . 2 . . . A 1 G H5'' . 25604 1
7 . 1 1 1 1 G H8 H 1 8.180 0.002 . 1 . . . A 1 G H8 . 25604 1
8 . 1 1 1 1 G C1' C 13 91.476 0.025 . 1 . . . A 1 G C1' . 25604 1
9 . 1 1 1 1 G C2' C 13 75.372 0.041 . 1 . . . A 1 G C2' . 25604 1
10 . 1 1 1 1 G C3' C 13 75.347 0.001 . 1 . . . A 1 G C3' . 25604 1
11 . 1 1 1 1 G C4' C 13 84.240 0.038 . 1 . . . A 1 G C4' . 25604 1
12 . 1 1 1 1 G C5' C 13 67.080 0.053 . 1 . . . A 1 G C5' . 25604 1
13 . 1 1 1 1 G C8 C 13 139.716 0.031 . 1 . . . A 1 G C8 . 25604 1
14 . 1 1 2 2 C H1' H 1 5.800 0.002 . 1 . . . A 2 C H1' . 25604 1
15 . 1 1 2 2 C H2' H 1 4.421 0.007 . 1 . . . A 2 C H2' . 25604 1
16 . 1 1 2 2 C H3' H 1 4.654 0.005 . 1 . . . A 2 C H3' . 25604 1
17 . 1 1 2 2 C H4' H 1 4.478 0.007 . 1 . . . A 2 C H4' . 25604 1
18 . 1 1 2 2 C H5 H 1 5.669 0.001 . 1 . . . A 2 C H5 . 25604 1
19 . 1 1 2 2 C H5' H 1 4.212 0.003 . 2 . . . A 2 C H5' . 25604 1
20 . 1 1 2 2 C H5'' H 1 4.446 0.000 . 2 . . . A 2 C H5'' . 25604 1
21 . 1 1 2 2 C H6 H 1 7.764 0.003 . 1 . . . A 2 C H6 . 25604 1
22 . 1 1 2 2 C C1' C 13 92.998 0.017 . 1 . . . A 2 C C1' . 25604 1
23 . 1 1 2 2 C C2' C 13 75.872 0.020 . 1 . . . A 2 C C2' . 25604 1
24 . 1 1 2 2 C C3' C 13 74.460 0.052 . 1 . . . A 2 C C3' . 25604 1
25 . 1 1 2 2 C C4' C 13 83.446 0.043 . 1 . . . A 2 C C4' . 25604 1
26 . 1 1 2 2 C C5 C 13 98.171 0.012 . 1 . . . A 2 C C5 . 25604 1
27 . 1 1 2 2 C C5' C 13 66.063 0.066 . 1 . . . A 2 C C5' . 25604 1
28 . 1 1 2 2 C C6 C 13 142.159 0.019 . 1 . . . A 2 C C6 . 25604 1
29 . 1 1 2 2 C P P 31 -3.833 0.000 . 1 . . . A 2 C P . 25604 1
30 . 1 1 3 3 A H1' H 1 6.031 0.004 . 1 . . . A 3 A H1' . 25604 1
31 . 1 1 3 3 A H2 H 1 7.821 0.006 . 1 . . . A 3 A H2 . 25604 1
32 . 1 1 3 3 A H2' H 1 4.695 0.003 . 1 . . . A 3 A H2' . 25604 1
33 . 1 1 3 3 A H3' H 1 4.565 0.003 . 1 . . . A 3 A H3' . 25604 1
34 . 1 1 3 3 A H4' H 1 4.556 0.008 . 1 . . . A 3 A H4' . 25604 1
35 . 1 1 3 3 A H5' H 1 4.427 0.001 . 2 . . . A 3 A H5' . 25604 1
36 . 1 1 3 3 A H5'' H 1 4.213 0.003 . 2 . . . A 3 A H5'' . 25604 1
37 . 1 1 3 3 A H8 H 1 8.251 0.005 . 1 . . . A 3 A H8 . 25604 1
38 . 1 1 3 3 A C1' C 13 91.280 0.032 . 1 . . . A 3 A C1' . 25604 1
39 . 1 1 3 3 A C2 C 13 154.866 0.000 . 1 . . . A 3 A C2 . 25604 1
40 . 1 1 3 3 A C2' C 13 76.054 0.011 . 1 . . . A 3 A C2' . 25604 1
41 . 1 1 3 3 A C3' C 13 75.392 0.065 . 1 . . . A 3 A C3' . 25604 1
42 . 1 1 3 3 A C4' C 13 84.176 0.036 . 1 . . . A 3 A C4' . 25604 1
43 . 1 1 3 3 A C5' C 13 66.703 0.039 . 1 . . . A 3 A C5' . 25604 1
44 . 1 1 3 3 A C8 C 13 140.885 0.019 . 1 . . . A 3 A C8 . 25604 1
45 . 1 1 3 3 A P P 31 -3.858 0.000 . 1 . . . A 3 A P . 25604 1
46 . 1 1 4 4 U H1' H 1 5.798 0.007 . 1 . . . A 4 U H1' . 25604 1
47 . 1 1 4 4 U H2' H 1 4.379 0.005 . 1 . . . A 4 U H2' . 25604 1
48 . 1 1 4 4 U H3' H 1 4.660 0.004 . 1 . . . A 4 U H3' . 25604 1
49 . 1 1 4 4 U H4' H 1 4.527 0.002 . 1 . . . A 4 U H4' . 25604 1
50 . 1 1 4 4 U H5 H 1 5.604 0.002 . 1 . . . A 4 U H5 . 25604 1
51 . 1 1 4 4 U H5' H 1 4.209 0.004 . 2 . . . A 4 U H5' . 25604 1
52 . 1 1 4 4 U H5'' H 1 4.418 0.000 . 2 . . . A 4 U H5'' . 25604 1
53 . 1 1 4 4 U H6 H 1 7.750 0.005 . 1 . . . A 4 U H6 . 25604 1
54 . 1 1 4 4 U C1' C 13 91.369 0.025 . 1 . . . A 4 U C1' . 25604 1
55 . 1 1 4 4 U C2' C 13 75.831 0.022 . 1 . . . A 4 U C2' . 25604 1
56 . 1 1 4 4 U C3' C 13 75.761 0.004 . 1 . . . A 4 U C3' . 25604 1
57 . 1 1 4 4 U C4' C 13 84.282 0.019 . 1 . . . A 4 U C4' . 25604 1
58 . 1 1 4 4 U C5 C 13 104.763 0.008 . 1 . . . A 4 U C5 . 25604 1
59 . 1 1 4 4 U C5' C 13 66.776 0.000 . 1 . . . A 4 U C5' . 25604 1
60 . 1 1 4 4 U C6 C 13 142.621 0.012 . 1 . . . A 4 U C6 . 25604 1
61 . 1 1 4 4 U P P 31 -3.924 0.000 . 1 . . . A 4 U P . 25604 1
62 . 1 1 5 5 G H1 H 1 12.831 0.005 . 1 . . . A 5 G H1 . 25604 1
63 . 1 1 5 5 G H1' H 1 5.781 0.004 . 1 . . . A 5 G H1' . 25604 1
64 . 1 1 5 5 G H2' H 1 4.587 0.001 . 1 . . . A 5 G H2' . 25604 1
65 . 1 1 5 5 G H3' H 1 4.773 0.001 . 1 . . . A 5 G H3' . 25604 1
66 . 1 1 5 5 G H4' H 1 4.594 0.002 . 1 . . . A 5 G H4' . 25604 1
67 . 1 1 5 5 G H5' H 1 4.408 0.016 . 2 . . . A 5 G H5' . 25604 1
68 . 1 1 5 5 G H5'' H 1 4.262 0.003 . 2 . . . A 5 G H5'' . 25604 1
69 . 1 1 5 5 G H8 H 1 8.014 0.002 . 1 . . . A 5 G H8 . 25604 1
70 . 1 1 5 5 G C1' C 13 92.147 0.075 . 1 . . . A 5 G C1' . 25604 1
71 . 1 1 5 5 G C2' C 13 74.763 0.057 . 1 . . . A 5 G C2' . 25604 1
72 . 1 1 5 5 G C3' C 13 76.441 0.001 . 1 . . . A 5 G C3' . 25604 1
73 . 1 1 5 5 G C4' C 13 83.488 0.071 . 1 . . . A 5 G C4' . 25604 1
74 . 1 1 5 5 G C5' C 13 67.459 0.009 . 1 . . . A 5 G C5' . 25604 1
75 . 1 1 5 5 G C8 C 13 138.198 0.021 . 1 . . . A 5 G C8 . 25604 1
76 . 1 1 5 5 G P P 31 -3.569 0.000 . 1 . . . A 5 G P . 25604 1
77 . 1 1 6 6 U H1' H 1 5.665 0.004 . 1 . . . A 6 U H1' . 25604 1
78 . 1 1 6 6 U H2' H 1 4.625 0.002 . 1 . . . A 6 U H2' . 25604 1
79 . 1 1 6 6 U H3 H 1 14.077 0.010 . 1 . . . A 6 U H3 . 25604 1
80 . 1 1 6 6 U H3' H 1 4.547 0.016 . 1 . . . A 6 U H3' . 25604 1
81 . 1 1 6 6 U H4' H 1 4.518 0.002 . 1 . . . A 6 U H4' . 25604 1
82 . 1 1 6 6 U H5 H 1 5.180 0.002 . 1 . . . A 6 U H5 . 25604 1
83 . 1 1 6 6 U H5'' H 1 4.249 0.012 . 1 . . . A 6 U H5'' . 25604 1
84 . 1 1 6 6 U H6 H 1 7.890 0.006 . 1 . . . A 6 U H6 . 25604 1
85 . 1 1 6 6 U C1' C 13 94.146 0.022 . 1 . . . A 6 U C1' . 25604 1
86 . 1 1 6 6 U C2' C 13 75.289 0.075 . 1 . . . A 6 U C2' . 25604 1
87 . 1 1 6 6 U C3' C 13 72.532 0.057 . 1 . . . A 6 U C3' . 25604 1
88 . 1 1 6 6 U C4' C 13 82.473 0.015 . 1 . . . A 6 U C4' . 25604 1
89 . 1 1 6 6 U C5 C 13 102.655 0.013 . 1 . . . A 6 U C5 . 25604 1
90 . 1 1 6 6 U C5' C 13 65.264 0.000 . 1 . . . A 6 U C5' . 25604 1
91 . 1 1 6 6 U C6 C 13 142.580 0.023 . 1 . . . A 6 U C6 . 25604 1
92 . 1 1 6 6 U P P 31 -3.665 0.000 . 1 . . . A 6 U P . 25604 1
93 . 1 1 7 7 U H1' H 1 5.670 0.004 . 1 . . . A 7 U H1' . 25604 1
94 . 1 1 7 7 U H2' H 1 4.483 0.007 . 1 . . . A 7 U H2' . 25604 1
95 . 1 1 7 7 U H3 H 1 13.667 0.003 . 1 . . . A 7 U H3 . 25604 1
96 . 1 1 7 7 U H3' H 1 4.542 0.004 . 1 . . . A 7 U H3' . 25604 1
97 . 1 1 7 7 U H4' H 1 4.526 0.009 . 1 . . . A 7 U H4' . 25604 1
98 . 1 1 7 7 U H5 H 1 5.650 0.007 . 1 . . . A 7 U H5 . 25604 1
99 . 1 1 7 7 U H5'' H 1 4.176 0.004 . 1 . . . A 7 U H5'' . 25604 1
100 . 1 1 7 7 U H6 H 1 8.023 0.007 . 1 . . . A 7 U H6 . 25604 1
101 . 1 1 7 7 U C1' C 13 93.977 0.018 . 1 . . . A 7 U C1' . 25604 1
102 . 1 1 7 7 U C2' C 13 75.293 0.050 . 1 . . . A 7 U C2' . 25604 1
103 . 1 1 7 7 U C3' C 13 72.583 0.018 . 1 . . . A 7 U C3' . 25604 1
104 . 1 1 7 7 U C4' C 13 82.327 0.033 . 1 . . . A 7 U C4' . 25604 1
105 . 1 1 7 7 U C5 C 13 103.600 0.039 . 1 . . . A 7 U C5 . 25604 1
106 . 1 1 7 7 U C5' C 13 64.884 0.048 . 1 . . . A 7 U C5' . 25604 1
107 . 1 1 7 7 U C6 C 13 142.296 0.014 . 1 . . . A 7 U C6 . 25604 1
108 . 1 1 7 7 U P P 31 -3.899 0.000 . 1 . . . A 7 U P . 25604 1
109 . 1 1 8 8 U H1' H 1 5.587 0.002 . 1 . . . A 8 U H1' . 25604 1
110 . 1 1 8 8 U H2' H 1 4.448 0.010 . 1 . . . A 8 U H2' . 25604 1
111 . 1 1 8 8 U H3 H 1 13.681 0.000 . 1 . . . A 8 U H3 . 25604 1
112 . 1 1 8 8 U H3' H 1 4.654 0.006 . 1 . . . A 8 U H3' . 25604 1
113 . 1 1 8 8 U H4' H 1 4.485 0.006 . 1 . . . A 8 U H4' . 25604 1
114 . 1 1 8 8 U H5 H 1 5.639 0.007 . 1 . . . A 8 U H5 . 25604 1
115 . 1 1 8 8 U H5' H 1 4.210 0.000 . 2 . . . A 8 U H5' . 25604 1
116 . 1 1 8 8 U H5'' H 1 4.183 0.006 . 2 . . . A 8 U H5'' . 25604 1
117 . 1 1 8 8 U H6 H 1 7.930 0.005 . 1 . . . A 8 U H6 . 25604 1
118 . 1 1 8 8 U C1' C 13 93.533 0.038 . 1 . . . A 8 U C1' . 25604 1
119 . 1 1 8 8 U C2' C 13 75.303 0.018 . 1 . . . A 8 U C2' . 25604 1
120 . 1 1 8 8 U C3' C 13 72.433 0.018 . 1 . . . A 8 U C3' . 25604 1
121 . 1 1 8 8 U C4' C 13 82.114 0.013 . 1 . . . A 8 U C4' . 25604 1
122 . 1 1 8 8 U C5 C 13 103.887 0.003 . 1 . . . A 8 U C5 . 25604 1
123 . 1 1 8 8 U C6 C 13 143.229 0.013 . 1 . . . A 8 U C6 . 25604 1
124 . 1 1 8 8 U P P 31 -4.155 0.000 . 1 . . . A 8 U P . 25604 1
125 . 1 1 9 9 A H1' H 1 5.911 0.002 . 1 . . . A 9 A H1' . 25604 1
126 . 1 1 9 9 A H2 H 1 6.897 0.001 . 1 . . . A 9 A H2 . 25604 1
127 . 1 1 9 9 A H2' H 1 4.421 0.002 . 1 . . . A 9 A H2' . 25604 1
128 . 1 1 9 9 A H3' H 1 4.736 0.011 . 1 . . . A 9 A H3' . 25604 1
129 . 1 1 9 9 A H4' H 1 4.475 0.004 . 1 . . . A 9 A H4' . 25604 1
130 . 1 1 9 9 A H5' H 1 4.579 0.000 . 2 . . . A 9 A H5' . 25604 1
131 . 1 1 9 9 A H5'' H 1 4.187 0.003 . 2 . . . A 9 A H5'' . 25604 1
132 . 1 1 9 9 A H8 H 1 8.063 0.002 . 1 . . . A 9 A H8 . 25604 1
133 . 1 1 9 9 A C1' C 13 92.849 0.054 . 1 . . . A 9 A C1' . 25604 1
134 . 1 1 9 9 A C2 C 13 152.888 0.008 . 1 . . . A 9 A C2 . 25604 1
135 . 1 1 9 9 A C2' C 13 75.714 0.047 . 1 . . . A 9 A C2' . 25604 1
136 . 1 1 9 9 A C3' C 13 72.661 0.018 . 1 . . . A 9 A C3' . 25604 1
137 . 1 1 9 9 A C4' C 13 82.065 0.035 . 1 . . . A 9 A C4' . 25604 1
138 . 1 1 9 9 A C8 C 13 139.669 0.002 . 1 . . . A 9 A C8 . 25604 1
139 . 1 1 9 9 A P P 31 -3.879 0.000 . 1 . . . A 9 A P . 25604 1
140 . 1 1 10 10 G H1 H 1 12.908 0.003 . 1 . . . A 10 G H1 . 25604 1
141 . 1 1 10 10 G H1' H 1 5.545 0.008 . 1 . . . A 10 G H1' . 25604 1
142 . 1 1 10 10 G H2' H 1 4.257 0.002 . 1 . . . A 10 G H2' . 25604 1
143 . 1 1 10 10 G H3' H 1 4.514 0.006 . 1 . . . A 10 G H3' . 25604 1
144 . 1 1 10 10 G H4' H 1 4.394 0.006 . 1 . . . A 10 G H4' . 25604 1
145 . 1 1 10 10 G H5' H 1 4.394 0.008 . 2 . . . A 10 G H5' . 25604 1
146 . 1 1 10 10 G H5'' H 1 4.074 0.010 . 2 . . . A 10 G H5'' . 25604 1
147 . 1 1 10 10 G H8 H 1 7.260 0.003 . 1 . . . A 10 G H8 . 25604 1
148 . 1 1 10 10 G C1' C 13 91.203 0.028 . 1 . . . A 10 G C1' . 25604 1
149 . 1 1 10 10 G C2' C 13 76.490 0.045 . 1 . . . A 10 G C2' . 25604 1
150 . 1 1 10 10 G C3' C 13 74.837 0.045 . 1 . . . A 10 G C3' . 25604 1
151 . 1 1 10 10 G C5' C 13 65.973 0.042 . 1 . . . A 10 G C5' . 25604 1
152 . 1 1 10 10 G C8 C 13 136.499 0.034 . 1 . . . A 10 G C8 . 25604 1
153 . 1 1 10 10 G P P 31 -3.762 0.000 . 1 . . . A 10 G P . 25604 1
154 . 1 1 11 11 U H1' H 1 5.584 0.003 . 1 . . . A 11 U H1' . 25604 1
155 . 1 1 11 11 U H2' H 1 4.274 0.010 . 1 . . . A 11 U H2' . 25604 1
156 . 1 1 11 11 U H3' H 1 4.375 0.007 . 1 . . . A 11 U H3' . 25604 1
157 . 1 1 11 11 U H4' H 1 4.277 0.012 . 1 . . . A 11 U H4' . 25604 1
158 . 1 1 11 11 U H5 H 1 5.603 0.002 . 1 . . . A 11 U H5 . 25604 1
159 . 1 1 11 11 U H5' H 1 3.918 0.006 . 2 . . . A 11 U H5' . 25604 1
160 . 1 1 11 11 U H5'' H 1 4.044 0.005 . 2 . . . A 11 U H5'' . 25604 1
161 . 1 1 11 11 U H6 H 1 7.600 0.003 . 1 . . . A 11 U H6 . 25604 1
162 . 1 1 11 11 U C1' C 13 91.400 0.024 . 1 . . . A 11 U C1' . 25604 1
163 . 1 1 11 11 U C2' C 13 75.629 0.060 . 1 . . . A 11 U C2' . 25604 1
164 . 1 1 11 11 U C3' C 13 76.077 0.057 . 1 . . . A 11 U C3' . 25604 1
165 . 1 1 11 11 U C4' C 13 84.720 0.055 . 1 . . . A 11 U C4' . 25604 1
166 . 1 1 11 11 U C5 C 13 104.757 0.011 . 1 . . . A 11 U C5 . 25604 1
167 . 1 1 11 11 U C5' C 13 67.268 0.025 . 1 . . . A 11 U C5' . 25604 1
168 . 1 1 11 11 U C6 C 13 142.745 0.043 . 1 . . . A 11 U C6 . 25604 1
169 . 1 1 11 11 U P P 31 -3.896 0.000 . 1 . . . A 11 U P . 25604 1
170 . 1 1 12 12 G H1' H 1 5.567 0.002 . 1 . . . A 12 G H1' . 25604 1
171 . 1 1 12 12 G H2' H 1 4.579 0.002 . 1 . . . A 12 G H2' . 25604 1
172 . 1 1 12 12 G H3' H 1 4.693 0.004 . 1 . . . A 12 G H3' . 25604 1
173 . 1 1 12 12 G H4' H 1 4.342 0.003 . 1 . . . A 12 G H4' . 25604 1
174 . 1 1 12 12 G H5' H 1 4.089 0.006 . 2 . . . A 12 G H5' . 25604 1
175 . 1 1 12 12 G H5'' H 1 4.063 0.011 . 2 . . . A 12 G H5'' . 25604 1
176 . 1 1 12 12 G H8 H 1 7.728 0.003 . 1 . . . A 12 G H8 . 25604 1
177 . 1 1 12 12 G C1' C 13 89.785 0.010 . 1 . . . A 12 G C1' . 25604 1
178 . 1 1 12 12 G C2' C 13 76.214 0.045 . 1 . . . A 12 G C2' . 25604 1
179 . 1 1 12 12 G C3' C 13 77.687 0.058 . 1 . . . A 12 G C3' . 25604 1
180 . 1 1 12 12 G C4' C 13 85.754 0.022 . 1 . . . A 12 G C4' . 25604 1
181 . 1 1 12 12 G C5' C 13 67.886 0.070 . 1 . . . A 12 G C5' . 25604 1
182 . 1 1 12 12 G C8 C 13 140.001 0.018 . 1 . . . A 12 G C8 . 25604 1
183 . 1 1 12 12 G P P 31 -3.629 0.025 . 1 . . . A 12 G P . 25604 1
184 . 1 1 13 13 U H1' H 1 5.954 0.002 . 1 . . . A 13 U H1' . 25604 1
185 . 1 1 13 13 U H2' H 1 4.361 0.004 . 1 . . . A 13 U H2' . 25604 1
186 . 1 1 13 13 U H3' H 1 4.736 0.006 . 1 . . . A 13 U H3' . 25604 1
187 . 1 1 13 13 U H4' H 1 4.519 0.003 . 1 . . . A 13 U H4' . 25604 1
188 . 1 1 13 13 U H5 H 1 5.838 0.005 . 1 . . . A 13 U H5 . 25604 1
189 . 1 1 13 13 U H5' H 1 4.071 0.016 . 2 . . . A 13 U H5' . 25604 1
190 . 1 1 13 13 U H5'' H 1 4.099 0.016 . 2 . . . A 13 U H5'' . 25604 1
191 . 1 1 13 13 U H6 H 1 7.766 0.002 . 1 . . . A 13 U H6 . 25604 1
192 . 1 1 13 13 U C1' C 13 89.999 0.010 . 1 . . . A 13 U C1' . 25604 1
193 . 1 1 13 13 U C2' C 13 75.818 0.022 . 1 . . . A 13 U C2' . 25604 1
194 . 1 1 13 13 U C3' C 13 77.832 0.043 . 1 . . . A 13 U C3' . 25604 1
195 . 1 1 13 13 U C4' C 13 85.263 0.048 . 1 . . . A 13 U C4' . 25604 1
196 . 1 1 13 13 U C5 C 13 105.707 0.014 . 1 . . . A 13 U C5 . 25604 1
197 . 1 1 13 13 U C5' C 13 68.351 0.074 . 1 . . . A 13 U C5' . 25604 1
198 . 1 1 13 13 U C6 C 13 143.812 0.009 . 1 . . . A 13 U C6 . 25604 1
199 . 1 1 13 13 U P P 31 -3.200 0.000 . 1 . . . A 13 U P . 25604 1
200 . 1 1 14 14 C H1' H 1 5.776 0.002 . 1 . . . A 14 C H1' . 25604 1
201 . 1 1 14 14 C H2' H 1 4.646 0.012 . 1 . . . A 14 C H2' . 25604 1
202 . 1 1 14 14 C H3' H 1 4.628 0.012 . 1 . . . A 14 C H3' . 25604 1
203 . 1 1 14 14 C H4' H 1 4.521 0.007 . 1 . . . A 14 C H4' . 25604 1
204 . 1 1 14 14 C H5 H 1 6.110 0.002 . 1 . . . A 14 C H5 . 25604 1
205 . 1 1 14 14 C H5'' H 1 4.214 0.008 . 1 . . . A 14 C H5'' . 25604 1
206 . 1 1 14 14 C H6 H 1 7.928 0.005 . 1 . . . A 14 C H6 . 25604 1
207 . 1 1 14 14 C C1' C 13 91.070 0.047 . 1 . . . A 14 C C1' . 25604 1
208 . 1 1 14 14 C C2' C 13 74.032 0.042 . 1 . . . A 14 C C2' . 25604 1
209 . 1 1 14 14 C C3' C 13 76.425 0.034 . 1 . . . A 14 C C3' . 25604 1
210 . 1 1 14 14 C C4' C 13 84.140 0.033 . 1 . . . A 14 C C4' . 25604 1
211 . 1 1 14 14 C C5 C 13 99.371 0.009 . 1 . . . A 14 C C5 . 25604 1
212 . 1 1 14 14 C C5' C 13 68.902 0.019 . 1 . . . A 14 C C5' . 25604 1
213 . 1 1 14 14 C C6 C 13 143.356 0.072 . 1 . . . A 14 C C6 . 25604 1
214 . 1 1 14 14 C P P 31 -3.595 0.000 . 1 . . . A 14 C P . 25604 1
215 . 1 1 15 15 U H1' H 1 5.627 0.004 . 1 . . . A 15 U H1' . 25604 1
216 . 1 1 15 15 U H2' H 1 4.678 0.004 . 1 . . . A 15 U H2' . 25604 1
217 . 1 1 15 15 U H3 H 1 13.330 0.004 . 1 . . . A 15 U H3 . 25604 1
218 . 1 1 15 15 U H3' H 1 4.562 0.008 . 1 . . . A 15 U H3' . 25604 1
219 . 1 1 15 15 U H4' H 1 4.570 0.000 . 1 . . . A 15 U H4' . 25604 1
220 . 1 1 15 15 U H5 H 1 5.646 0.002 . 1 . . . A 15 U H5 . 25604 1
221 . 1 1 15 15 U H5' H 1 4.443 0.006 . 2 . . . A 15 U H5' . 25604 1
222 . 1 1 15 15 U H5'' H 1 4.453 0.001 . 2 . . . A 15 U H5'' . 25604 1
223 . 1 1 15 15 U H6 H 1 8.024 0.012 . 1 . . . A 15 U H6 . 25604 1
224 . 1 1 15 15 U C1' C 13 93.967 0.013 . 1 . . . A 15 U C1' . 25604 1
225 . 1 1 15 15 U C2' C 13 75.026 0.022 . 1 . . . A 15 U C2' . 25604 1
226 . 1 1 15 15 U C3' C 13 73.693 0.018 . 1 . . . A 15 U C3' . 25604 1
227 . 1 1 15 15 U C4' C 13 83.098 0.011 . 1 . . . A 15 U C4' . 25604 1
228 . 1 1 15 15 U C5 C 13 103.549 0.062 . 1 . . . A 15 U C5 . 25604 1
229 . 1 1 15 15 U C5' C 13 67.540 0.025 . 1 . . . A 15 U C5' . 25604 1
230 . 1 1 15 15 U C6 C 13 142.444 0.014 . 1 . . . A 15 U C6 . 25604 1
231 . 1 1 15 15 U P P 31 -3.137 0.000 . 1 . . . A 15 U P . 25604 1
232 . 1 1 16 16 A H1' H 1 5.983 0.002 . 1 . . . A 16 A H1' . 25604 1
233 . 1 1 16 16 A H2 H 1 6.404 0.002 . 1 . . . A 16 A H2 . 25604 1
234 . 1 1 16 16 A H2' H 1 4.567 0.004 . 1 . . . A 16 A H2' . 25604 1
235 . 1 1 16 16 A H3' H 1 4.821 0.003 . 1 . . . A 16 A H3' . 25604 1
236 . 1 1 16 16 A H4' H 1 4.587 0.026 . 1 . . . A 16 A H4' . 25604 1
237 . 1 1 16 16 A H5' H 1 4.621 0.000 . 2 . . . A 16 A H5' . 25604 1
238 . 1 1 16 16 A H5'' H 1 4.285 0.011 . 2 . . . A 16 A H5'' . 25604 1
239 . 1 1 16 16 A H8 H 1 8.191 0.005 . 1 . . . A 16 A H8 . 25604 1
240 . 1 1 16 16 A C1' C 13 92.693 0.012 . 1 . . . A 16 A C1' . 25604 1
241 . 1 1 16 16 A C2 C 13 152.055 0.011 . 1 . . . A 16 A C2 . 25604 1
242 . 1 1 16 16 A C2' C 13 75.711 0.030 . 1 . . . A 16 A C2' . 25604 1
243 . 1 1 16 16 A C3' C 13 72.950 0.027 . 1 . . . A 16 A C3' . 25604 1
244 . 1 1 16 16 A C4' C 13 82.153 0.039 . 1 . . . A 16 A C4' . 25604 1
245 . 1 1 16 16 A C5' C 13 64.809 0.000 . 1 . . . A 16 A C5' . 25604 1
246 . 1 1 16 16 A C8 C 13 139.942 0.031 . 1 . . . A 16 A C8 . 25604 1
247 . 1 1 16 16 A P P 31 -3.653 0.000 . 1 . . . A 16 A P . 25604 1
248 . 1 1 17 17 A H1' H 1 5.756 0.006 . 1 . . . A 17 A H1' . 25604 1
249 . 1 1 17 17 A H2 H 1 7.070 0.002 . 1 . . . A 17 A H2 . 25604 1
250 . 1 1 17 17 A H2' H 1 4.442 0.006 . 1 . . . A 17 A H2' . 25604 1
251 . 1 1 17 17 A H3' H 1 4.673 0.004 . 1 . . . A 17 A H3' . 25604 1
252 . 1 1 17 17 A H4' H 1 4.513 0.003 . 1 . . . A 17 A H4' . 25604 1
253 . 1 1 17 17 A H5'' H 1 4.180 0.004 . 1 . . . A 17 A H5'' . 25604 1
254 . 1 1 17 17 A H8 H 1 7.763 0.006 . 1 . . . A 17 A H8 . 25604 1
255 . 1 1 17 17 A C1' C 13 92.517 0.023 . 1 . . . A 17 A C1' . 25604 1
256 . 1 1 17 17 A C2 C 13 152.798 0.015 . 1 . . . A 17 A C2 . 25604 1
257 . 1 1 17 17 A C2' C 13 75.643 0.028 . 1 . . . A 17 A C2' . 25604 1
258 . 1 1 17 17 A C3' C 13 72.780 0.044 . 1 . . . A 17 A C3' . 25604 1
259 . 1 1 17 17 A C4' C 13 82.022 0.027 . 1 . . . A 17 A C4' . 25604 1
260 . 1 1 17 17 A C5' C 13 72.766 0.000 . 1 . . . A 17 A C5' . 25604 1
261 . 1 1 17 17 A C8 C 13 139.053 0.070 . 1 . . . A 17 A C8 . 25604 1
262 . 1 1 17 17 A P P 31 -3.823 0.000 . 1 . . . A 17 A P . 25604 1
263 . 1 1 18 18 A H1' H 1 5.862 0.003 . 1 . . . A 18 A H1' . 25604 1
264 . 1 1 18 18 A H2 H 1 7.724 0.009 . 1 . . . A 18 A H2 . 25604 1
265 . 1 1 18 18 A H2' H 1 4.469 0.007 . 1 . . . A 18 A H2' . 25604 1
266 . 1 1 18 18 A H3' H 1 4.567 0.006 . 1 . . . A 18 A H3' . 25604 1
267 . 1 1 18 18 A H4' H 1 4.476 0.000 . 1 . . . A 18 A H4' . 25604 1
268 . 1 1 18 18 A H5' H 1 4.574 0.000 . 2 . . . A 18 A H5' . 25604 1
269 . 1 1 18 18 A H5'' H 1 4.133 0.004 . 2 . . . A 18 A H5'' . 25604 1
270 . 1 1 18 18 A H8 H 1 7.753 0.002 . 1 . . . A 18 A H8 . 25604 1
271 . 1 1 18 18 A C1' C 13 92.548 0.022 . 1 . . . A 18 A C1' . 25604 1
272 . 1 1 18 18 A C2 C 13 153.918 0.012 . 1 . . . A 18 A C2 . 25604 1
273 . 1 1 18 18 A C2' C 13 75.595 0.023 . 1 . . . A 18 A C2' . 25604 1
274 . 1 1 18 18 A C3' C 13 72.481 0.022 . 1 . . . A 18 A C3' . 25604 1
275 . 1 1 18 18 A C4' C 13 81.837 0.016 . 1 . . . A 18 A C4' . 25604 1
276 . 1 1 18 18 A C5' C 13 67.139 0.000 . 1 . . . A 18 A C5' . 25604 1
277 . 1 1 18 18 A C8 C 13 138.867 0.015 . 1 . . . A 18 A C8 . 25604 1
278 . 1 1 18 18 A P P 31 -4.058 0.000 . 1 . . . A 18 A P . 25604 1
279 . 1 1 19 19 C H1' H 1 5.315 0.003 . 1 . . . A 19 C H1' . 25604 1
280 . 1 1 19 19 C H2' H 1 4.393 0.013 . 1 . . . A 19 C H2' . 25604 1
281 . 1 1 19 19 C H3' H 1 4.320 0.005 . 1 . . . A 19 C H3' . 25604 1
282 . 1 1 19 19 C H4' H 1 4.377 0.017 . 1 . . . A 19 C H4' . 25604 1
283 . 1 1 19 19 C H5 H 1 5.161 0.003 . 1 . . . A 19 C H5 . 25604 1
284 . 1 1 19 19 C H5' H 1 4.463 0.003 . 2 . . . A 19 C H5' . 25604 1
285 . 1 1 19 19 C H5'' H 1 4.050 0.004 . 2 . . . A 19 C H5'' . 25604 1
286 . 1 1 19 19 C H6 H 1 7.228 0.005 . 1 . . . A 19 C H6 . 25604 1
287 . 1 1 19 19 C C1' C 13 93.499 0.015 . 1 . . . A 19 C C1' . 25604 1
288 . 1 1 19 19 C C2' C 13 75.555 0.026 . 1 . . . A 19 C C2' . 25604 1
289 . 1 1 19 19 C C3' C 13 72.355 0.022 . 1 . . . A 19 C C3' . 25604 1
290 . 1 1 19 19 C C4' C 13 81.813 0.018 . 1 . . . A 19 C C4' . 25604 1
291 . 1 1 19 19 C C5 C 13 97.697 0.003 . 1 . . . A 19 C C5 . 25604 1
292 . 1 1 19 19 C C5' C 13 64.884 0.041 . 1 . . . A 19 C C5' . 25604 1
293 . 1 1 19 19 C C6 C 13 139.647 0.040 . 1 . . . A 19 C C6 . 25604 1
294 . 1 1 19 19 C P P 31 -4.023 0.000 . 1 . . . A 19 C P . 25604 1
295 . 1 1 20 20 G H1' H 1 5.741 0.003 . 1 . . . A 20 G H1' . 25604 1
296 . 1 1 20 20 G H2' H 1 4.348 0.005 . 1 . . . A 20 G H2' . 25604 1
297 . 1 1 20 20 G H3' H 1 4.595 0.004 . 1 . . . A 20 G H3' . 25604 1
298 . 1 1 20 20 G H4' H 1 4.391 0.003 . 1 . . . A 20 G H4' . 25604 1
299 . 1 1 20 20 G H5' H 1 4.402 0.003 . 2 . . . A 20 G H5' . 25604 1
300 . 1 1 20 20 G H5'' H 1 4.085 0.003 . 2 . . . A 20 G H5'' . 25604 1
301 . 1 1 20 20 G H8 H 1 7.543 0.004 . 1 . . . A 20 G H8 . 25604 1
302 . 1 1 20 20 G C1' C 13 92.685 0.027 . 1 . . . A 20 G C1' . 25604 1
303 . 1 1 20 20 G C2' C 13 75.785 0.010 . 1 . . . A 20 G C2' . 25604 1
304 . 1 1 20 20 G C3' C 13 73.441 0.062 . 1 . . . A 20 G C3' . 25604 1
305 . 1 1 20 20 G C4' C 13 82.818 0.042 . 1 . . . A 20 G C4' . 25604 1
306 . 1 1 20 20 G C8 C 13 136.961 0.007 . 1 . . . A 20 G C8 . 25604 1
307 . 1 1 20 20 G P P 31 -3.735 0.000 . 1 . . . A 20 G P . 25604 1
308 . 1 1 21 21 G H1' H 1 5.685 0.006 . 1 . . . A 21 G H1' . 25604 1
309 . 1 1 21 21 G H2' H 1 4.643 0.006 . 1 . . . A 21 G H2' . 25604 1
310 . 1 1 21 21 G H3' H 1 4.573 0.005 . 1 . . . A 21 G H3' . 25604 1
311 . 1 1 21 21 G H4' H 1 4.440 0.002 . 1 . . . A 21 G H4' . 25604 1
312 . 1 1 21 21 G H5' H 1 4.088 0.009 . 2 . . . A 21 G H5' . 25604 1
313 . 1 1 21 21 G H5'' H 1 4.424 0.009 . 2 . . . A 21 G H5'' . 25604 1
314 . 1 1 21 21 G H8 H 1 7.562 0.007 . 1 . . . A 21 G H8 . 25604 1
315 . 1 1 21 21 G C1' C 13 91.369 0.018 . 1 . . . A 21 G C1' . 25604 1
316 . 1 1 21 21 G C2' C 13 75.119 0.005 . 1 . . . A 21 G C2' . 25604 1
317 . 1 1 21 21 G C3' C 13 74.978 0.002 . 1 . . . A 21 G C3' . 25604 1
318 . 1 1 21 21 G C4' C 13 84.128 0.011 . 1 . . . A 21 G C4' . 25604 1
319 . 1 1 21 21 G C5' C 13 65.728 0.033 . 1 . . . A 21 G C5' . 25604 1
320 . 1 1 21 21 G C8 C 13 138.167 0.018 . 1 . . . A 21 G C8 . 25604 1
321 . 1 1 21 21 G P P 31 -3.924 0.000 . 1 . . . A 21 G P . 25604 1
322 . 1 1 22 22 U H1' H 1 5.749 0.004 . 1 . . . A 22 U H1' . 25604 1
323 . 1 1 22 22 U H2' H 1 4.231 0.007 . 1 . . . A 22 U H2' . 25604 1
324 . 1 1 22 22 U H3' H 1 4.565 0.004 . 1 . . . A 22 U H3' . 25604 1
325 . 1 1 22 22 U H4' H 1 4.396 0.005 . 1 . . . A 22 U H4' . 25604 1
326 . 1 1 22 22 U H5 H 1 5.578 0.002 . 1 . . . A 22 U H5 . 25604 1
327 . 1 1 22 22 U H5' H 1 4.235 0.006 . 2 . . . A 22 U H5' . 25604 1
328 . 1 1 22 22 U H5'' H 1 4.073 0.006 . 2 . . . A 22 U H5'' . 25604 1
329 . 1 1 22 22 U H6 H 1 7.666 0.005 . 1 . . . A 22 U H6 . 25604 1
330 . 1 1 22 22 U C1' C 13 91.307 0.028 . 1 . . . A 22 U C1' . 25604 1
331 . 1 1 22 22 U C2' C 13 75.817 0.024 . 1 . . . A 22 U C2' . 25604 1
332 . 1 1 22 22 U C3' C 13 75.589 0.033 . 1 . . . A 22 U C3' . 25604 1
333 . 1 1 22 22 U C4' C 13 84.306 0.010 . 1 . . . A 22 U C4' . 25604 1
334 . 1 1 22 22 U C5 C 13 104.907 0.016 . 1 . . . A 22 U C5 . 25604 1
335 . 1 1 22 22 U C5' C 13 66.497 0.070 . 1 . . . A 22 U C5' . 25604 1
336 . 1 1 22 22 U C6 C 13 142.380 0.010 . 1 . . . A 22 U C6 . 25604 1
337 . 1 1 22 22 U P P 31 -3.800 0.000 . 1 . . . A 22 U P . 25604 1
338 . 1 1 23 23 U H1' H 1 5.954 0.002 . 1 . . . A 23 U H1' . 25604 1
339 . 1 1 23 23 U H2' H 1 5.058 0.004 . 1 . . . A 23 U H2' . 25604 1
340 . 1 1 23 23 U H3' H 1 5.019 0.021 . 1 . . . A 23 U H3' . 25604 1
341 . 1 1 23 23 U H4' H 1 4.447 0.002 . 1 . . . A 23 U H4' . 25604 1
342 . 1 1 23 23 U H5 H 1 5.750 0.001 . 1 . . . A 23 U H5 . 25604 1
343 . 1 1 23 23 U H5' H 1 4.133 0.004 . 2 . . . A 23 U H5' . 25604 1
344 . 1 1 23 23 U H5'' H 1 4.299 0.008 . 2 . . . A 23 U H5'' . 25604 1
345 . 1 1 23 23 U H6 H 1 7.669 0.002 . 1 . . . A 23 U H6 . 25604 1
346 . 1 1 23 23 U C1' C 13 94.559 0.025 . 1 . . . A 23 U C1' . 25604 1
347 . 1 1 23 23 U C2' C 13 83.743 0.019 . 1 . . . A 23 U C2' . 25604 1
348 . 1 1 23 23 U C3' C 13 79.508 0.039 . 1 . . . A 23 U C3' . 25604 1
349 . 1 1 23 23 U C4' C 13 86.633 0.020 . 1 . . . A 23 U C4' . 25604 1
350 . 1 1 23 23 U C5 C 13 104.877 0.005 . 1 . . . A 23 U C5 . 25604 1
351 . 1 1 23 23 U C5' C 13 67.357 0.038 . 1 . . . A 23 U C5' . 25604 1
352 . 1 1 23 23 U C6 C 13 145.422 0.015 . 1 . . . A 23 U C6 . 25604 1
353 . 1 1 23 23 U P P 31 -2.938 0.000 . 1 . . . A 23 U P . 25604 1
stop_
save_