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 52690
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RKEC1_dopamine_298K
_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 '1D 1H' . . . 52690 1
2 '2D 1H-1H NOESY' . . . 52690 1
3 '2D 1H-13C HSQC' . . . 52690 1
4 '2D 1H-1H NOESY' . . . 52690 1
5 '2D 1H-1H TOCSY' . . . 52690 1
6 '2D 1H-15N HSQC' . . . 52690 1
7 '2D 1H-15N HSQC' . . . 52690 1
8 '2D 1H-13C HSQC' . . . 52690 1
9 '2D 1H-13C HSQC' . . . 52690 1
10 '2D 1H-15N HSQC' . . . 52690 1
11 '2D 1H-15N HSQC' . . . 52690 1
12 '2D 1H-13C HSQC' . . . 52690 1
13 '2D 1H-15N HSQC' . . . 52690 1
14 '2D 1H-15N HSQC' . . . 52690 1
15 '2D 1H-13C HSQC' . . . 52690 1
16 '2D 1H-15N HSQC' . . . 52690 1
17 '2D 1H-15N HSQC' . . . 52690 1
18 '2D 1H-13C HSQC' . . . 52690 1
19 '2D 1H-15N HSQC' . . . 52690 1
20 '2D 1H-13C HSQC' . . . 52690 1
21 '2D DQF-COSY' . . . 52690 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
1 $software_1 . . 52690 1
2 $software_2 . . 52690 1
3 $software_3 . . 52690 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 DT H1' H 1 6.358 0.02 . 1 . . . . . 11 DT H1' . 52690 1
2 . 1 . 1 1 1 DT H2' H 1 1.919 0.02 . 1 . . . . . 11 DT H2' . 52690 1
3 . 1 . 1 1 1 DT H2'' H 1 2.928 0.02 . 1 . . . . . 11 DT H2'' . 52690 1
4 . 1 . 1 1 1 DT H3' H 1 4.933 0.02 . 1 . . . . . 11 DT H3' . 52690 1
5 . 1 . 1 1 1 DT H4' H 1 4.238 0.02 . 1 . . . . . 11 DT H4' . 52690 1
6 . 1 . 1 1 1 DT H5' H 1 3.952 0.02 . 2 . . . . . 11 DT H5' . 52690 1
7 . 1 . 1 1 1 DT H5'' H 1 3.827 0.02 . 2 . . . . . 11 DT H5'' . 52690 1
8 . 1 . 1 1 1 DT H6 H 1 7.76 0.02 . 1 . . . . . 11 DT H6 . 52690 1
9 . 1 . 1 1 1 DT H71 H 1 1.609 0.02 . 1 . . . . . 11 DT H71 . 52690 1
10 . 1 . 1 1 1 DT H72 H 1 1.609 0.02 . 1 . . . . . 11 DT H72 . 52690 1
11 . 1 . 1 1 1 DT H73 H 1 1.609 0.02 . 1 . . . . . 11 DT H73 . 52690 1
12 . 1 . 1 1 1 DT C1' C 13 87.359 0.2 . 1 . . . . . 11 DT C1' . 52690 1
13 . 1 . 1 1 1 DT C2' C 13 40.236 0.2 . 1 . . . . . 11 DT C2' . 52690 1
14 . 1 . 1 1 1 DT C3' C 13 80.818 0.2 . 1 . . . . . 11 DT C3' . 52690 1
15 . 1 . 1 1 1 DT C4' C 13 89.366 0.2 . 1 . . . . . 11 DT C4' . 52690 1
16 . 1 . 1 1 1 DT C5' C 13 64.358 0.2 . 1 . . . . . 11 DT C5' . 52690 1
17 . 1 . 1 1 1 DT C6 C 13 140.03 0.2 . 1 . . . . . 11 DT C6 . 52690 1
18 . 1 . 1 2 2 DT H1' H 1 5.834 0.02 . 1 . . . . . 12 DT H1' . 52690 1
19 . 1 . 1 2 2 DT H2' H 1 2.298 0.02 . 1 . . . . . 12 DT H2' . 52690 1
20 . 1 . 1 2 2 DT H2'' H 1 2.632 0.02 . 1 . . . . . 12 DT H2'' . 52690 1
21 . 1 . 1 2 2 DT H3' H 1 5.02 0.02 . 1 . . . . . 12 DT H3' . 52690 1
22 . 1 . 1 2 2 DT H4' H 1 4.307 0.02 . 1 . . . . . 12 DT H4' . 52690 1
23 . 1 . 1 2 2 DT H5' H 1 4.048 0.02 . 2 . . . . . 12 DT H5' . 52690 1
24 . 1 . 1 2 2 DT H6 H 1 7.442 0.02 . 1 . . . . . 12 DT H6 . 52690 1
25 . 1 . 1 2 2 DT H71 H 1 1.757 0.02 . 1 . . . . . 12 DT H71 . 52690 1
26 . 1 . 1 2 2 DT H72 H 1 1.757 0.02 . 1 . . . . . 12 DT H72 . 52690 1
27 . 1 . 1 2 2 DT H73 H 1 1.757 0.02 . 1 . . . . . 12 DT H73 . 52690 1
28 . 1 . 1 2 2 DT C1' C 13 84.286 0.2 . 1 . . . . . 12 DT C1' . 52690 1
29 . 1 . 1 2 2 DT C3' C 13 78.477 0.2 . 1 . . . . . 12 DT C3' . 52690 1
30 . 1 . 1 2 2 DT C6 C 13 139.139 0.2 . 1 . . . . . 12 DT C6 . 52690 1
31 . 1 . 1 3 3 DG H1' H 1 5.88 0.02 . 1 . . . . . 13 DG H1' . 52690 1
32 . 1 . 1 3 3 DG H2' H 1 2.802 0.02 . 1 . . . . . 13 DG H2' . 52690 1
33 . 1 . 1 3 3 DG H2'' H 1 2.698 0.02 . 1 . . . . . 13 DG H2'' . 52690 1
34 . 1 . 1 3 3 DG H3' H 1 5.067 0.02 . 1 . . . . . 13 DG H3' . 52690 1
35 . 1 . 1 3 3 DG H4' H 1 4.5 0.02 . 1 . . . . . 13 DG H4' . 52690 1
36 . 1 . 1 3 3 DG H5' H 1 4.32 0.02 . 2 . . . . . 13 DG H5' . 52690 1
37 . 1 . 1 3 3 DG H5'' H 1 4.25 0.02 . 2 . . . . . 13 DG H5'' . 52690 1
38 . 1 . 1 3 3 DG H8 H 1 8.027 0.02 . 1 . . . . . 13 DG H8 . 52690 1
39 . 1 . 1 3 3 DG C1' C 13 84.88 0.2 . 1 . . . . . 13 DG C1' . 52690 1
40 . 1 . 1 3 3 DG C3' C 13 80.105 0.2 . 1 . . . . . 13 DG C3' . 52690 1
41 . 1 . 1 3 3 DG C4' C 13 89.338 0.2 . 1 . . . . . 13 DG C4' . 52690 1
42 . 1 . 1 3 3 DG C5' C 13 69.617 0.2 . 1 . . . . . 13 DG C5' . 52690 1
43 . 1 . 1 3 3 DG C8 C 13 139.05 0.2 . 1 . . . . . 13 DG C8 . 52690 1
44 . 1 . 1 4 4 DA H1' H 1 6.053 0.02 . 1 . . . . . 14 DA H1' . 52690 1
45 . 1 . 1 4 4 DA H2 H 1 7.658 0.02 . 1 . . . . . 14 DA H2 . 52690 1
46 . 1 . 1 4 4 DA H2' H 1 2.163 0.02 . 1 . . . . . 14 DA H2' . 52690 1
47 . 1 . 1 4 4 DA H2'' H 1 2.428 0.02 . 1 . . . . . 14 DA H2'' . 52690 1
48 . 1 . 1 4 4 DA H3' H 1 4.566 0.02 . 1 . . . . . 14 DA H3' . 52690 1
49 . 1 . 1 4 4 DA H5' H 1 3.854 0.02 . 2 . . . . . 14 DA H5' . 52690 1
50 . 1 . 1 4 4 DA H5'' H 1 3.214 0.02 . 2 . . . . . 14 DA H5'' . 52690 1
51 . 1 . 1 4 4 DA H8 H 1 8.059 0.02 . 1 . . . . . 14 DA H8 . 52690 1
52 . 1 . 1 4 4 DA C1' C 13 87.701 0.2 . 1 . . . . . 14 DA C1' . 52690 1
53 . 1 . 1 4 4 DA C2 C 13 154.448 0.2 . 1 . . . . . 14 DA C2 . 52690 1
54 . 1 . 1 4 4 DA C3' C 13 80.064 0.2 . 1 . . . . . 14 DA C3' . 52690 1
55 . 1 . 1 4 4 DA C5' C 13 69.115 0.2 . 1 . . . . . 14 DA C5' . 52690 1
56 . 1 . 1 4 4 DA C8 C 13 141.291 0.2 . 1 . . . . . 14 DA C8 . 52690 1
57 . 1 . 1 5 5 DA H1' H 1 6.247 0.02 . 1 . . . . . 15 DA H1' . 52690 1
58 . 1 . 1 5 5 DA H2 H 1 8.014 0.02 . 1 . . . . . 15 DA H2 . 52690 1
59 . 1 . 1 5 5 DA H2' H 1 2.769 0.02 . 1 . . . . . 15 DA H2' . 52690 1
60 . 1 . 1 5 5 DA H2'' H 1 3.009 0.02 . 1 . . . . . 15 DA H2'' . 52690 1
61 . 1 . 1 5 5 DA H3' H 1 4.855 0.02 . 1 . . . . . 15 DA H3' . 52690 1
62 . 1 . 1 5 5 DA H4' H 1 4.401 0.02 . 1 . . . . . 15 DA H4' . 52690 1
63 . 1 . 1 5 5 DA H5' H 1 4.078 0.02 . 2 . . . . . 15 DA H5' . 52690 1
64 . 1 . 1 5 5 DA H5'' H 1 3.802 0.02 . 2 . . . . . 15 DA H5'' . 52690 1
65 . 1 . 1 5 5 DA H8 H 1 8.281 0.02 . 1 . . . . . 15 DA H8 . 52690 1
66 . 1 . 1 5 5 DA C1' C 13 85.578 0.2 . 1 . . . . . 15 DA C1' . 52690 1
67 . 1 . 1 5 5 DA C2 C 13 155.396 0.2 . 1 . . . . . 15 DA C2 . 52690 1
68 . 1 . 1 5 5 DA C3' C 13 80.535 0.2 . 1 . . . . . 15 DA C3' . 52690 1
69 . 1 . 1 5 5 DA C4' C 13 89.22 0.2 . 1 . . . . . 15 DA C4' . 52690 1
70 . 1 . 1 5 5 DA C5' C 13 69.297 0.2 . 1 . . . . . 15 DA C5' . 52690 1
71 . 1 . 1 5 5 DA C8 C 13 142.274 0.2 . 1 . . . . . 15 DA C8 . 52690 1
72 . 1 . 1 6 6 DG H1' H 1 4.914 0.02 . 1 . . . . . 16 DG H1' . 52690 1
73 . 1 . 1 6 6 DG H2' H 1 2.561 0.02 . 1 . . . . . 16 DG H2' . 52690 1
74 . 1 . 1 6 6 DG H2'' H 1 2.651 0.02 . 1 . . . . . 16 DG H2'' . 52690 1
75 . 1 . 1 6 6 DG H3' H 1 4.992 0.02 . 1 . . . . . 16 DG H3' . 52690 1
76 . 1 . 1 6 6 DG H4' H 1 4.398 0.02 . 1 . . . . . 16 DG H4' . 52690 1
77 . 1 . 1 6 6 DG H5' H 1 4.22 0.02 . 2 . . . . . 16 DG H5' . 52690 1
78 . 1 . 1 6 6 DG H8 H 1 7.986 0.02 . 1 . . . . . 16 DG H8 . 52690 1
79 . 1 . 1 6 6 DG C1' C 13 83.54 0.2 . 1 . . . . . 16 DG C1' . 52690 1
80 . 1 . 1 6 6 DG C3' C 13 76.653 0.2 . 1 . . . . . 16 DG C3' . 52690 1
81 . 1 . 1 6 6 DG C4' C 13 87.317 0.2 . 1 . . . . . 16 DG C4' . 52690 1
82 . 1 . 1 6 6 DG C8 C 13 138.42 0.2 . 1 . . . . . 16 DG C8 . 52690 1
83 . 1 . 1 7 7 DG H1' H 1 6.215 0.02 . 1 . . . . . 17 DG H1' . 52690 1
84 . 1 . 1 7 7 DG H2' H 1 2.694 0.02 . 1 . . . . . 17 DG H2' . 52690 1
85 . 1 . 1 7 7 DG H2'' H 1 2.693 0.02 . 1 . . . . . 17 DG H2'' . 52690 1
86 . 1 . 1 7 7 DG H3' H 1 4.872 0.02 . 1 . . . . . 17 DG H3' . 52690 1
87 . 1 . 1 7 7 DG H4' H 1 4.393 0.02 . 1 . . . . . 17 DG H4' . 52690 1
88 . 1 . 1 7 7 DG H5' H 1 4.355 0.02 . 2 . . . . . 17 DG H5' . 52690 1
89 . 1 . 1 7 7 DG H5'' H 1 4.296 0.02 . 2 . . . . . 17 DG H5'' . 52690 1
90 . 1 . 1 7 7 DG H8 H 1 8.052 0.02 . 1 . . . . . 17 DG H8 . 52690 1
91 . 1 . 1 7 7 DG C1' C 13 85.662 0.2 . 1 . . . . . 17 DG C1' . 52690 1
92 . 1 . 1 7 7 DG C3' C 13 81.523 0.2 . 1 . . . . . 17 DG C3' . 52690 1
93 . 1 . 1 7 7 DG C4' C 13 86.417 0.2 . 1 . . . . . 17 DG C4' . 52690 1
94 . 1 . 1 7 7 DG C5' C 13 68.334 0.2 . 1 . . . . . 17 DG C5' . 52690 1
95 . 1 . 1 7 7 DG C8 C 13 138.65 0.2 . 1 . . . . . 17 DG C8 . 52690 1
96 . 1 . 1 8 8 DT H1' H 1 6.171 0.02 . 1 . . . . . 18 DT H1' . 52690 1
97 . 1 . 1 8 8 DT H2' H 1 2.172 0.02 . 1 . . . . . 18 DT H2' . 52690 1
98 . 1 . 1 8 8 DT H2'' H 1 2.389 0.02 . 1 . . . . . 18 DT H2'' . 52690 1
99 . 1 . 1 8 8 DT H3' H 1 4.819 0.02 . 1 . . . . . 18 DT H3' . 52690 1
100 . 1 . 1 8 8 DT H4' H 1 4.303 0.02 . 1 . . . . . 18 DT H4' . 52690 1
101 . 1 . 1 8 8 DT H5' H 1 4.382 0.02 . 2 . . . . . 18 DT H5' . 52690 1
102 . 1 . 1 8 8 DT H5'' H 1 4.207 0.02 . 2 . . . . . 18 DT H5'' . 52690 1
103 . 1 . 1 8 8 DT H6 H 1 7.435 0.02 . 1 . . . . . 18 DT H6 . 52690 1
104 . 1 . 1 8 8 DT H71 H 1 1.173 0.02 . 1 . . . . . 18 DT H71 . 52690 1
105 . 1 . 1 8 8 DT H72 H 1 1.173 0.02 . 1 . . . . . 18 DT H72 . 52690 1
106 . 1 . 1 8 8 DT H73 H 1 1.173 0.02 . 1 . . . . . 18 DT H73 . 52690 1
107 . 1 . 1 8 8 DT C1' C 13 85.992 0.2 . 1 . . . . . 18 DT C1' . 52690 1
108 . 1 . 1 8 8 DT C2' C 13 41.206 0.2 . 1 . . . . . 18 DT C2' . 52690 1
109 . 1 . 1 8 8 DT C3' C 13 71.905 0.2 . 1 . . . . . 18 DT C3' . 52690 1
110 . 1 . 1 8 8 DT C4' C 13 84.445 0.2 . 1 . . . . . 18 DT C4' . 52690 1
111 . 1 . 1 8 8 DT C5' C 13 64.724 0.2 . 1 . . . . . 18 DT C5' . 52690 1
112 . 1 . 1 8 8 DT C6 C 13 139.534 0.2 . 1 . . . . . 18 DT C6 . 52690 1
113 . 1 . 1 8 8 DT C7 C 13 13.656 0.2 . 1 . . . . . 18 DT C7 . 52690 1
114 . 1 . 1 9 9 DT H1' H 1 6.294 0.02 . 1 . . . . . 19 DT H1' . 52690 1
115 . 1 . 1 9 9 DT H2' H 1 2.292 0.02 . 1 . . . . . 19 DT H2' . 52690 1
116 . 1 . 1 9 9 DT H2'' H 1 2.807 0.02 . 1 . . . . . 19 DT H2'' . 52690 1
117 . 1 . 1 9 9 DT H3' H 1 4.888 0.02 . 1 . . . . . 19 DT H3' . 52690 1
118 . 1 . 1 9 9 DT H4' H 1 4.353 0.02 . 1 . . . . . 19 DT H4' . 52690 1
119 . 1 . 1 9 9 DT H5' H 1 4.28 0.02 . 2 . . . . . 19 DT H5' . 52690 1
120 . 1 . 1 9 9 DT H5'' H 1 4.191 0.02 . 2 . . . . . 19 DT H5'' . 52690 1
121 . 1 . 1 9 9 DT H6 H 1 7.446 0.02 . 1 . . . . . 19 DT H6 . 52690 1
122 . 1 . 1 9 9 DT H71 H 1 1.504 0.02 . 1 . . . . . 19 DT H71 . 52690 1
123 . 1 . 1 9 9 DT H72 H 1 1.504 0.02 . 1 . . . . . 19 DT H72 . 52690 1
124 . 1 . 1 9 9 DT H73 H 1 1.504 0.02 . 1 . . . . . 19 DT H73 . 52690 1
125 . 1 . 1 9 9 DT C1' C 13 86.451 0.2 . 1 . . . . . 19 DT C1' . 52690 1
126 . 1 . 1 9 9 DT C2' C 13 39.707 0.2 . 1 . . . . . 19 DT C2' . 52690 1
127 . 1 . 1 9 9 DT C3' C 13 79.699 0.2 . 1 . . . . . 19 DT C3' . 52690 1
128 . 1 . 1 9 9 DT C4' C 13 86.441 0.2 . 1 . . . . . 19 DT C4' . 52690 1
129 . 1 . 1 9 9 DT C5' C 13 64.287 0.2 . 1 . . . . . 19 DT C5' . 52690 1
130 . 1 . 1 9 9 DT C6 C 13 139.763 0.2 . 1 . . . . . 19 DT C6 . 52690 1
131 . 1 . 1 9 9 DT C7 C 13 14.7 0.2 . 1 . . . . . 19 DT C7 . 52690 1
132 . 1 . 1 10 10 DC H1' H 1 5.951 0.02 . 1 . . . . . 20 DC H1' . 52690 1
133 . 1 . 1 10 10 DC H2' H 1 2.079 0.02 . 1 . . . . . 20 DC H2' . 52690 1
134 . 1 . 1 10 10 DC H2'' H 1 1.384 0.02 . 1 . . . . . 20 DC H2'' . 52690 1
135 . 1 . 1 10 10 DC H3' H 1 4.871 0.02 . 1 . . . . . 20 DC H3' . 52690 1
136 . 1 . 1 10 10 DC H4' H 1 3.819 0.02 . 1 . . . . . 20 DC H4' . 52690 1
137 . 1 . 1 10 10 DC H5 H 1 5.848 0.02 . 1 . . . . . 20 DC H5 . 52690 1
138 . 1 . 1 10 10 DC H5' H 1 3.963 0.02 . 2 . . . . . 20 DC H5' . 52690 1
139 . 1 . 1 10 10 DC H5'' H 1 4.062 0.02 . 2 . . . . . 20 DC H5'' . 52690 1
140 . 1 . 1 10 10 DC H6 H 1 7.397 0.02 . 1 . . . . . 20 DC H6 . 52690 1
141 . 1 . 1 10 10 DC C1' C 13 85.979 0.2 . 1 . . . . . 20 DC C1' . 52690 1
142 . 1 . 1 10 10 DC C3' C 13 76.546 0.2 . 1 . . . . . 20 DC C3' . 52690 1
143 . 1 . 1 10 10 DC C4' C 13 84.141 0.2 . 1 . . . . . 20 DC C4' . 52690 1
144 . 1 . 1 10 10 DC C5 C 13 99.838 0.2 . 1 . . . . . 20 DC C5 . 52690 1
145 . 1 . 1 10 10 DC C5' C 13 68.08 0.2 . 1 . . . . . 20 DC C5' . 52690 1
146 . 1 . 1 10 10 DC C6 C 13 143.119 0.2 . 1 . . . . . 20 DC C6 . 52690 1
147 . 1 . 1 11 11 DG H1 H 1 13.721 0.02 . 1 . . . . . 21 DG H1 . 52690 1
148 . 1 . 1 11 11 DG H1' H 1 6.037 0.02 . 1 . . . . . 21 DG H1' . 52690 1
149 . 1 . 1 11 11 DG H2' H 1 2.989 0.02 . 1 . . . . . 21 DG H2' . 52690 1
150 . 1 . 1 11 11 DG H2'' H 1 2.596 0.02 . 1 . . . . . 21 DG H2'' . 52690 1
151 . 1 . 1 11 11 DG H3' H 1 5.046 0.02 . 1 . . . . . 21 DG H3' . 52690 1
152 . 1 . 1 11 11 DG H4' H 1 4.48 0.02 . 1 . . . . . 21 DG H4' . 52690 1
153 . 1 . 1 11 11 DG H5' H 1 4.106 0.02 . 2 . . . . . 21 DG H5' . 52690 1
154 . 1 . 1 11 11 DG H8 H 1 8.098 0.02 . 1 . . . . . 21 DG H8 . 52690 1
155 . 1 . 1 11 11 DG H21 H 1 9.062 0.02 . 1 . . . . . 21 DG H21 . 52690 1
156 . 1 . 1 11 11 DG C1' C 13 86.097 0.2 . 1 . . . . . 21 DG C1' . 52690 1
157 . 1 . 1 11 11 DG C3' C 13 80.615 0.2 . 1 . . . . . 21 DG C3' . 52690 1
158 . 1 . 1 11 11 DG C4' C 13 88.788 0.2 . 1 . . . . . 21 DG C4' . 52690 1
159 . 1 . 1 11 11 DG C5' C 13 67.945 0.2 . 1 . . . . . 21 DG C5' . 52690 1
160 . 1 . 1 11 11 DG C8 C 13 139.546 0.2 . 1 . . . . . 21 DG C8 . 52690 1
161 . 1 . 1 11 11 DG N1 N 15 153.289 0.2 . 1 . . . . . 21 DG N1 . 52690 1
162 . 1 . 1 12 12 DT H1' H 1 6.178 0.02 . 1 . . . . . 22 DT H1' . 52690 1
163 . 1 . 1 12 12 DT H2' H 1 1.946 0.02 . 1 . . . . . 22 DT H2' . 52690 1
164 . 1 . 1 12 12 DT H2'' H 1 2.271 0.02 . 1 . . . . . 22 DT H2'' . 52690 1
165 . 1 . 1 12 12 DT H3' H 1 4.737 0.02 . 1 . . . . . 22 DT H3' . 52690 1
166 . 1 . 1 12 12 DT H4' H 1 3.752 0.02 . 1 . . . . . 22 DT H4' . 52690 1
167 . 1 . 1 12 12 DT H5' H 1 3.805 0.02 . 2 . . . . . 22 DT H5' . 52690 1
168 . 1 . 1 12 12 DT H5'' H 1 3.742 0.02 . 2 . . . . . 22 DT H5'' . 52690 1
169 . 1 . 1 12 12 DT H6 H 1 7.56 0.02 . 1 . . . . . 22 DT H6 . 52690 1
170 . 1 . 1 12 12 DT H71 H 1 1.641 0.02 . 1 . . . . . 22 DT H71 . 52690 1
171 . 1 . 1 12 12 DT H72 H 1 1.641 0.02 . 1 . . . . . 22 DT H72 . 52690 1
172 . 1 . 1 12 12 DT H73 H 1 1.641 0.02 . 1 . . . . . 22 DT H73 . 52690 1
173 . 1 . 1 12 12 DT C1' C 13 87.864 0.2 . 1 . . . . . 22 DT C1' . 52690 1
174 . 1 . 1 12 12 DT C4' C 13 87.389 0.2 . 1 . . . . . 22 DT C4' . 52690 1
175 . 1 . 1 12 12 DT C5' C 13 68.992 0.2 . 1 . . . . . 22 DT C5' . 52690 1
176 . 1 . 1 12 12 DT C6 C 13 138.969 0.2 . 1 . . . . . 22 DT C6 . 52690 1
177 . 1 . 1 13 13 DT H1' H 1 6.441 0.02 . 1 . . . . . 23 DT H1' . 52690 1
178 . 1 . 1 13 13 DT H2' H 1 2.32 0.02 . 1 . . . . . 23 DT H2' . 52690 1
179 . 1 . 1 13 13 DT H2'' H 1 2.497 0.02 . 1 . . . . . 23 DT H2'' . 52690 1
180 . 1 . 1 13 13 DT H3' H 1 4.483 0.02 . 1 . . . . . 23 DT H3' . 52690 1
181 . 1 . 1 13 13 DT H4' H 1 4.557 0.02 . 1 . . . . . 23 DT H4' . 52690 1
182 . 1 . 1 13 13 DT H5' H 1 4.164 0.02 . 2 . . . . . 23 DT H5' . 52690 1
183 . 1 . 1 13 13 DT H5'' H 1 3.992 0.02 . 2 . . . . . 23 DT H5'' . 52690 1
184 . 1 . 1 13 13 DT H6 H 1 7.788 0.02 . 1 . . . . . 23 DT H6 . 52690 1
185 . 1 . 1 13 13 DT H71 H 1 1.891 0.02 . 1 . . . . . 23 DT H71 . 52690 1
186 . 1 . 1 13 13 DT H72 H 1 1.891 0.02 . 1 . . . . . 23 DT H72 . 52690 1
187 . 1 . 1 13 13 DT H73 H 1 1.891 0.02 . 1 . . . . . 23 DT H73 . 52690 1
188 . 1 . 1 13 13 DT C1' C 13 87.893 0.2 . 1 . . . . . 23 DT C1' . 52690 1
189 . 1 . 1 13 13 DT C2' C 13 41.07 0.2 . 1 . . . . . 23 DT C2' . 52690 1
190 . 1 . 1 13 13 DT C3' C 13 79.538 0.2 . 1 . . . . . 23 DT C3' . 52690 1
191 . 1 . 1 13 13 DT C4' C 13 86.903 0.2 . 1 . . . . . 23 DT C4' . 52690 1
192 . 1 . 1 13 13 DT C5' C 13 68.602 0.2 . 1 . . . . . 23 DT C5' . 52690 1
193 . 1 . 1 13 13 DT C6 C 13 139.914 0.2 . 1 . . . . . 23 DT C6 . 52690 1
194 . 1 . 1 13 13 DT C7 C 13 14.336 0.2 . 1 . . . . . 23 DT C7 . 52690 1
195 . 1 . 1 14 14 DC H1' H 1 6.233 0.02 . 1 . . . . . 24 DC H1' . 52690 1
196 . 1 . 1 14 14 DC H2' H 1 1.747 0.02 . 1 . . . . . 24 DC H2' . 52690 1
197 . 1 . 1 14 14 DC H2'' H 1 2.134 0.02 . 1 . . . . . 24 DC H2'' . 52690 1
198 . 1 . 1 14 14 DC H3' H 1 4.871 0.02 . 1 . . . . . 24 DC H3' . 52690 1
199 . 1 . 1 14 14 DC H4' H 1 4.333 0.02 . 1 . . . . . 24 DC H4' . 52690 1
200 . 1 . 1 14 14 DC H5 H 1 6.165 0.02 . 1 . . . . . 24 DC H5 . 52690 1
201 . 1 . 1 14 14 DC H5' H 1 4.062 0.02 . 2 . . . . . 24 DC H5' . 52690 1
202 . 1 . 1 14 14 DC H5'' H 1 3.971 0.02 . 2 . . . . . 24 DC H5'' . 52690 1
203 . 1 . 1 14 14 DC H6 H 1 7.619 0.02 . 1 . . . . . 24 DC H6 . 52690 1
204 . 1 . 1 14 14 DC C1' C 13 86.614 0.2 . 1 . . . . . 24 DC C1' . 52690 1
205 . 1 . 1 14 14 DC C3' C 13 73.416 0.2 . 1 . . . . . 24 DC C3' . 52690 1
206 . 1 . 1 14 14 DC C4' C 13 86.87 0.2 . 1 . . . . . 24 DC C4' . 52690 1
207 . 1 . 1 14 14 DC C5 C 13 101.968 0.2 . 1 . . . . . 24 DC C5 . 52690 1
208 . 1 . 1 14 14 DC C5' C 13 68.005 0.2 . 1 . . . . . 24 DC C5' . 52690 1
209 . 1 . 1 14 14 DC C6 C 13 142.864 0.2 . 1 . . . . . 24 DC C6 . 52690 1
210 . 1 . 1 15 15 DG H1' H 1 7.032 0.02 . 1 . . . . . 25 DG H1' . 52690 1
211 . 1 . 1 15 15 DG H2' H 1 3.169 0.02 . 1 . . . . . 25 DG H2' . 52690 1
212 . 1 . 1 15 15 DG H2'' H 1 2.873 0.02 . 1 . . . . . 25 DG H2'' . 52690 1
213 . 1 . 1 15 15 DG H3' H 1 5.269 0.02 . 1 . . . . . 25 DG H3' . 52690 1
214 . 1 . 1 15 15 DG H4' H 1 4.862 0.02 . 1 . . . . . 25 DG H4' . 52690 1
215 . 1 . 1 15 15 DG H5' H 1 4.325 0.02 . 2 . . . . . 25 DG H5' . 52690 1
216 . 1 . 1 15 15 DG H5'' H 1 4.06 0.02 . 2 . . . . . 25 DG H5'' . 52690 1
217 . 1 . 1 15 15 DG H8 H 1 8.234 0.02 . 1 . . . . . 25 DG H8 . 52690 1
218 . 1 . 1 15 15 DG C1' C 13 86.605 0.2 . 1 . . . . . 25 DG C1' . 52690 1
219 . 1 . 1 15 15 DG C2' C 13 39.251 0.2 . 1 . . . . . 25 DG C2' . 52690 1
220 . 1 . 1 15 15 DG C3' C 13 80.676 0.2 . 1 . . . . . 25 DG C3' . 52690 1
221 . 1 . 1 15 15 DG C4' C 13 89.022 0.2 . 1 . . . . . 25 DG C4' . 52690 1
222 . 1 . 1 15 15 DG C5' C 13 68.315 0.2 . 1 . . . . . 25 DG C5' . 52690 1
223 . 1 . 1 15 15 DG C8 C 13 139.481 0.2 . 1 . . . . . 25 DG C8 . 52690 1
224 . 1 . 1 16 16 DC H1' H 1 5.7 0.02 . 1 . . . . . 26 DC H1' . 52690 1
225 . 1 . 1 16 16 DC H2' H 1 -0.386 0.02 . 1 . . . . . 26 DC H2' . 52690 1
226 . 1 . 1 16 16 DC H2'' H 1 1.337 0.02 . 1 . . . . . 26 DC H2'' . 52690 1
227 . 1 . 1 16 16 DC H3' H 1 3.991 0.02 . 1 . . . . . 26 DC H3' . 52690 1
228 . 1 . 1 16 16 DC H4' H 1 4.078 0.02 . 1 . . . . . 26 DC H4' . 52690 1
229 . 1 . 1 16 16 DC H5 H 1 5.64 0.02 . 1 . . . . . 26 DC H5 . 52690 1
230 . 1 . 1 16 16 DC H5' H 1 3.956 0.02 . 2 . . . . . 26 DC H5' . 52690 1
231 . 1 . 1 16 16 DC H5'' H 1 3.815 0.02 . 2 . . . . . 26 DC H5'' . 52690 1
232 . 1 . 1 16 16 DC H6 H 1 7.684 0.02 . 1 . . . . . 26 DC H6 . 52690 1
233 . 1 . 1 16 16 DC C1' C 13 88.266 0.2 . 1 . . . . . 26 DC C1' . 52690 1
234 . 1 . 1 16 16 DC C3' C 13 79.262 0.2 . 1 . . . . . 26 DC C3' . 52690 1
235 . 1 . 1 16 16 DC C4' C 13 87.711 0.2 . 1 . . . . . 26 DC C4' . 52690 1
236 . 1 . 1 16 16 DC C5 C 13 99.385 0.2 . 1 . . . . . 26 DC C5 . 52690 1
237 . 1 . 1 16 16 DC C5' C 13 68.418 0.2 . 1 . . . . . 26 DC C5' . 52690 1
238 . 1 . 1 16 16 DC C6 C 13 142.489 0.2 . 1 . . . . . 26 DC C6 . 52690 1
239 . 1 . 1 17 17 DA H1' H 1 3.915 0.02 . 1 . . . . . 27 DA H1' . 52690 1
240 . 1 . 1 17 17 DA H2 H 1 8.179 0.02 . 1 . . . . . 27 DA H2 . 52690 1
241 . 1 . 1 17 17 DA H2' H 1 2.802 0.02 . 1 . . . . . 27 DA H2' . 52690 1
242 . 1 . 1 17 17 DA H2'' H 1 2.541 0.02 . 1 . . . . . 27 DA H2'' . 52690 1
243 . 1 . 1 17 17 DA H3' H 1 4.789 0.02 . 1 . . . . . 27 DA H3' . 52690 1
244 . 1 . 1 17 17 DA H4' H 1 4.3 0.02 . 1 . . . . . 27 DA H4' . 52690 1
245 . 1 . 1 17 17 DA H5' H 1 3.772 0.02 . 2 . . . . . 27 DA H5' . 52690 1
246 . 1 . 1 17 17 DA H8 H 1 8.301 0.02 . 1 . . . . . 27 DA H8 . 52690 1
247 . 1 . 1 17 17 DA C1' C 13 86.329 0.2 . 1 . . . . . 27 DA C1' . 52690 1
248 . 1 . 1 17 17 DA C2 C 13 154.9 0.2 . 1 . . . . . 27 DA C2 . 52690 1
249 . 1 . 1 17 17 DA C3' C 13 73.068 0.2 . 1 . . . . . 27 DA C3' . 52690 1
250 . 1 . 1 17 17 DA C4' C 13 86.165 0.2 . 1 . . . . . 27 DA C4' . 52690 1
251 . 1 . 1 17 17 DA C8 C 13 141.95 0.2 . 1 . . . . . 27 DA C8 . 52690 1
252 . 1 . 1 18 18 DG H1 H 1 11.563 0.02 . 1 . . . . . 28 DG H1 . 52690 1
253 . 1 . 1 18 18 DG H1' H 1 6.171 0.02 . 1 . . . . . 28 DG H1' . 52690 1
254 . 1 . 1 18 18 DG H2' H 1 2.504 0.02 . 1 . . . . . 28 DG H2' . 52690 1
255 . 1 . 1 18 18 DG H2'' H 1 2.756 0.02 . 1 . . . . . 28 DG H2'' . 52690 1
256 . 1 . 1 18 18 DG H3' H 1 5.005 0.02 . 1 . . . . . 28 DG H3' . 52690 1
257 . 1 . 1 18 18 DG H4' H 1 4.557 0.02 . 1 . . . . . 28 DG H4' . 52690 1
258 . 1 . 1 18 18 DG H5' H 1 4.14 0.02 . 2 . . . . . 28 DG H5' . 52690 1
259 . 1 . 1 18 18 DG H5'' H 1 4.066 0.02 . 2 . . . . . 28 DG H5'' . 52690 1
260 . 1 . 1 18 18 DG H8 H 1 7.285 0.02 . 1 . . . . . 28 DG H8 . 52690 1
261 . 1 . 1 18 18 DG H21 H 1 9.673 0.02 . 2 . . . . . 28 DG H21 . 52690 1
262 . 1 . 1 18 18 DG H22 H 1 6.269 0.02 . 2 . . . . . 28 DG H22 . 52690 1
263 . 1 . 1 18 18 DG C1' C 13 85.063 0.2 . 1 . . . . . 28 DG C1' . 52690 1
264 . 1 . 1 18 18 DG C3' C 13 80.947 0.2 . 1 . . . . . 28 DG C3' . 52690 1
265 . 1 . 1 18 18 DG C4' C 13 88.073 0.2 . 1 . . . . . 28 DG C4' . 52690 1
266 . 1 . 1 18 18 DG C5' C 13 68.722 0.2 . 1 . . . . . 28 DG C5' . 52690 1
267 . 1 . 1 18 18 DG C8 C 13 137.76 0.2 . 1 . . . . . 28 DG C8 . 52690 1
268 . 1 . 1 18 18 DG N1 N 15 150.549 0.2 . 1 . . . . . 28 DG N1 . 52690 1
269 . 1 . 1 18 18 DG N2 N 15 79.323 0.2 . 1 . . . . . 28 DG N2 . 52690 1
270 . 1 . 1 19 19 DG H1 H 1 13.781 0.02 . 1 . . . . . 29 DG H1 . 52690 1
271 . 1 . 1 19 19 DG H1' H 1 5.672 0.02 . 1 . . . . . 29 DG H1' . 52690 1
272 . 1 . 1 19 19 DG H2' H 1 2.752 0.02 . 1 . . . . . 29 DG H2' . 52690 1
273 . 1 . 1 19 19 DG H2'' H 1 2.391 0.02 . 1 . . . . . 29 DG H2'' . 52690 1
274 . 1 . 1 19 19 DG H3' H 1 5.016 0.02 . 1 . . . . . 29 DG H3' . 52690 1
275 . 1 . 1 19 19 DG H4' H 1 4.428 0.02 . 1 . . . . . 29 DG H4' . 52690 1
276 . 1 . 1 19 19 DG H5' H 1 4.2 0.02 . 2 . . . . . 29 DG H5' . 52690 1
277 . 1 . 1 19 19 DG H5'' H 1 4.579 0.02 . 2 . . . . . 29 DG H5'' . 52690 1
278 . 1 . 1 19 19 DG H8 H 1 8.256 0.02 . 1 . . . . . 29 DG H8 . 52690 1
279 . 1 . 1 19 19 DG H21 H 1 7.829 0.02 . 2 . . . . . 29 DG H21 . 52690 1
280 . 1 . 1 19 19 DG H22 H 1 7.508 0.02 . 2 . . . . . 29 DG H22 . 52690 1
281 . 1 . 1 19 19 DG C1' C 13 85.243 0.2 . 1 . . . . . 29 DG C1' . 52690 1
282 . 1 . 1 19 19 DG C2' C 13 40.951 0.2 . 1 . . . . . 29 DG C2' . 52690 1
283 . 1 . 1 19 19 DG C3' C 13 80.397 0.2 . 1 . . . . . 29 DG C3' . 52690 1
284 . 1 . 1 19 19 DG C4' C 13 88.171 0.2 . 1 . . . . . 29 DG C4' . 52690 1
285 . 1 . 1 19 19 DG C5' C 13 68.419 0.2 . 1 . . . . . 29 DG C5' . 52690 1
286 . 1 . 1 19 19 DG C8 C 13 139.171 0.2 . 1 . . . . . 29 DG C8 . 52690 1
287 . 1 . 1 19 19 DG N1 N 15 151.962 0.2 . 1 . . . . . 29 DG N1 . 52690 1
288 . 1 . 1 19 19 DG N2 N 15 76.204 0.2 . 1 . . . . . 29 DG N2 . 52690 1
289 . 1 . 1 20 20 DT H1' H 1 5.982 0.02 . 1 . . . . . 30 DT H1' . 52690 1
290 . 1 . 1 20 20 DT H2' H 1 1.718 0.02 . 1 . . . . . 30 DT H2' . 52690 1
291 . 1 . 1 20 20 DT H2'' H 1 2.086 0.02 . 1 . . . . . 30 DT H2'' . 52690 1
292 . 1 . 1 20 20 DT H3' H 1 4.558 0.02 . 1 . . . . . 30 DT H3' . 52690 1
293 . 1 . 1 20 20 DT H4' H 1 3.083 0.02 . 1 . . . . . 30 DT H4' . 52690 1
294 . 1 . 1 20 20 DT H5' H 1 3.357 0.02 . 2 . . . . . 30 DT H5' . 52690 1
295 . 1 . 1 20 20 DT H5'' H 1 2.773 0.02 . 2 . . . . . 30 DT H5'' . 52690 1
296 . 1 . 1 20 20 DT H6 H 1 7.395 0.02 . 1 . . . . . 30 DT H6 . 52690 1
297 . 1 . 1 20 20 DT H71 H 1 1.525 0.02 . 1 . . . . . 30 DT H71 . 52690 1
298 . 1 . 1 20 20 DT H72 H 1 1.525 0.02 . 1 . . . . . 30 DT H72 . 52690 1
299 . 1 . 1 20 20 DT H73 H 1 1.525 0.02 . 1 . . . . . 30 DT H73 . 52690 1
300 . 1 . 1 20 20 DT C1' C 13 88.241 0.2 . 1 . . . . . 30 DT C1' . 52690 1
301 . 1 . 1 20 20 DT C3' C 13 80.643 0.2 . 1 . . . . . 30 DT C3' . 52690 1
302 . 1 . 1 20 20 DT C4' C 13 87.243 0.2 . 1 . . . . . 30 DT C4' . 52690 1
303 . 1 . 1 20 20 DT C5' C 13 67.54 0.2 . 1 . . . . . 30 DT C5' . 52690 1
304 . 1 . 1 20 20 DT C6 C 13 138.389 0.2 . 1 . . . . . 30 DT C6 . 52690 1
305 . 1 . 1 20 20 DT C7 C 13 14.968 0.2 . 1 . . . . . 30 DT C7 . 52690 1
306 . 1 . 1 21 21 DG H1 H 1 11.344 0.02 . 1 . . . . . 31 DG H1 . 52690 1
307 . 1 . 1 21 21 DG H1' H 1 5.992 0.02 . 1 . . . . . 31 DG H1' . 52690 1
308 . 1 . 1 21 21 DG H2' H 1 3.497 0.02 . 1 . . . . . 31 DG H2' . 52690 1
309 . 1 . 1 21 21 DG H2'' H 1 2.667 0.02 . 1 . . . . . 31 DG H2'' . 52690 1
310 . 1 . 1 21 21 DG H3' H 1 4.714 0.02 . 1 . . . . . 31 DG H3' . 52690 1
311 . 1 . 1 21 21 DG H4' H 1 4.304 0.02 . 1 . . . . . 31 DG H4' . 52690 1
312 . 1 . 1 21 21 DG H5' H 1 3.941 0.02 . 2 . . . . . 31 DG H5' . 52690 1
313 . 1 . 1 21 21 DG H8 H 1 7.63 0.02 . 1 . . . . . 31 DG H8 . 52690 1
314 . 1 . 1 21 21 DG H21 H 1 6.652 0.02 . 2 . . . . . 31 DG H21 . 52690 1
315 . 1 . 1 21 21 DG C1' C 13 89.85 0.2 . 1 . . . . . 31 DG C1' . 52690 1
316 . 1 . 1 21 21 DG C2' C 13 34.421 0.2 . 1 . . . . . 31 DG C2' . 52690 1
317 . 1 . 1 21 21 DG C3' C 13 80.498 0.2 . 1 . . . . . 31 DG C3' . 52690 1
318 . 1 . 1 21 21 DG C4' C 13 89.36 0.2 . 1 . . . . . 31 DG C4' . 52690 1
319 . 1 . 1 21 21 DG C8 C 13 142.881 0.2 . 1 . . . . . 31 DG C8 . 52690 1
320 . 1 . 1 21 21 DG N1 N 15 150.561 0.2 . 1 . . . . . 31 DG N1 . 52690 1
321 . 1 . 1 21 21 DG N2 N 15 74.659 0.2 . 1 . . . . . 31 DG N2 . 52690 1
322 . 1 . 1 22 22 DT H1' H 1 5.641 0.02 . 1 . . . . . 32 DT H1' . 52690 1
323 . 1 . 1 22 22 DT H2' H 1 2.254 0.02 . 1 . . . . . 32 DT H2' . 52690 1
324 . 1 . 1 22 22 DT H2'' H 1 2.254 0.02 . 1 . . . . . 32 DT H2'' . 52690 1
325 . 1 . 1 22 22 DT H3' H 1 4.895 0.02 . 1 . . . . . 32 DT H3' . 52690 1
326 . 1 . 1 22 22 DT H4' H 1 4.14 0.02 . 1 . . . . . 32 DT H4' . 52690 1
327 . 1 . 1 22 22 DT H5' H 1 4.044 0.02 . 2 . . . . . 32 DT H5' . 52690 1
328 . 1 . 1 22 22 DT H5'' H 1 4.139 0.02 . 2 . . . . . 32 DT H5'' . 52690 1
329 . 1 . 1 22 22 DT H6 H 1 7.28 0.02 . 1 . . . . . 32 DT H6 . 52690 1
330 . 1 . 1 22 22 DT H71 H 1 1.369 0.02 . 1 . . . . . 32 DT H71 . 52690 1
331 . 1 . 1 22 22 DT H72 H 1 1.369 0.02 . 1 . . . . . 32 DT H72 . 52690 1
332 . 1 . 1 22 22 DT H73 H 1 1.369 0.02 . 1 . . . . . 32 DT H73 . 52690 1
333 . 1 . 1 22 22 DT C1' C 13 85.663 0.2 . 1 . . . . . 32 DT C1' . 52690 1
334 . 1 . 1 22 22 DT C2' C 13 38.216 0.2 . 1 . . . . . 32 DT C2' . 52690 1
335 . 1 . 1 22 22 DT C3' C 13 77.721 0.2 . 1 . . . . . 32 DT C3' . 52690 1
336 . 1 . 1 22 22 DT C4' C 13 85.834 0.2 . 1 . . . . . 32 DT C4' . 52690 1
337 . 1 . 1 22 22 DT C5' C 13 67.181 0.2 . 1 . . . . . 32 DT C5' . 52690 1
338 . 1 . 1 22 22 DT C6 C 13 138.712 0.2 . 1 . . . . . 32 DT C6 . 52690 1
339 . 1 . 1 22 22 DT C7 C 13 13.388 0.2 . 1 . . . . . 32 DT C7 . 52690 1
340 . 1 . 1 23 23 DG H1 H 1 13.784 0.02 . 1 . . . . . 33 DG H1 . 52690 1
341 . 1 . 1 23 23 DG H1' H 1 5.924 0.02 . 1 . . . . . 33 DG H1' . 52690 1
342 . 1 . 1 23 23 DG H2' H 1 2.804 0.02 . 1 . . . . . 33 DG H2' . 52690 1
343 . 1 . 1 23 23 DG H2'' H 1 3.051 0.02 . 1 . . . . . 33 DG H2'' . 52690 1
344 . 1 . 1 23 23 DG H3' H 1 5.009 0.02 . 1 . . . . . 33 DG H3' . 52690 1
345 . 1 . 1 23 23 DG H4' H 1 4.2 0.02 . 1 . . . . . 33 DG H4' . 52690 1
346 . 1 . 1 23 23 DG H5' H 1 4.014 0.02 . 1 . . . . . 33 DG H5' . 52690 1
347 . 1 . 1 23 23 DG H5'' H 1 3.943 0.02 . 1 . . . . . 33 DG H5'' . 52690 1
348 . 1 . 1 23 23 DG H8 H 1 7.524 0.02 . 1 . . . . . 33 DG H8 . 52690 1
349 . 1 . 1 23 23 DG C1' C 13 84.548 0.2 . 1 . . . . . 33 DG C1' . 52690 1
350 . 1 . 1 23 23 DG C2' C 13 37.433 0.2 . 1 . . . . . 33 DG C2' . 52690 1
351 . 1 . 1 23 23 DG C3' C 13 80.321 0.2 . 1 . . . . . 33 DG C3' . 52690 1
352 . 1 . 1 23 23 DG C4' C 13 87.566 0.2 . 1 . . . . . 33 DG C4' . 52690 1
353 . 1 . 1 23 23 DG C5' C 13 67.87 0.2 . 1 . . . . . 33 DG C5' . 52690 1
354 . 1 . 1 23 23 DG C8 C 13 137.101 0.2 . 1 . . . . . 33 DG C8 . 52690 1
355 . 1 . 1 23 23 DG N1 N 15 152.1 0.2 . 1 . . . . . 33 DG N1 . 52690 1
356 . 1 . 1 24 24 DG H1' H 1 5.524 0.02 . 1 . . . . . 34 DG H1' . 52690 1
357 . 1 . 1 24 24 DG H2' H 1 2.554 0.02 . 1 . . . . . 34 DG H2' . 52690 1
358 . 1 . 1 24 24 DG H2'' H 1 2.32 0.02 . 1 . . . . . 34 DG H2'' . 52690 1
359 . 1 . 1 24 24 DG H3' H 1 4.915 0.02 . 1 . . . . . 34 DG H3' . 52690 1
360 . 1 . 1 24 24 DG H4' H 1 4.277 0.02 . 1 . . . . . 34 DG H4' . 52690 1
361 . 1 . 1 24 24 DG H5' H 1 4.202 0.02 . 2 . . . . . 34 DG H5' . 52690 1
362 . 1 . 1 24 24 DG H8 H 1 7.673 0.02 . 1 . . . . . 34 DG H8 . 52690 1
363 . 1 . 1 24 24 DG C1' C 13 83.652 0.2 . 1 . . . . . 34 DG C1' . 52690 1
364 . 1 . 1 24 24 DG C3' C 13 77.314 0.2 . 1 . . . . . 34 DG C3' . 52690 1
365 . 1 . 1 24 24 DG C4' C 13 86.168 0.2 . 1 . . . . . 34 DG C4' . 52690 1
366 . 1 . 1 24 24 DG C8 C 13 137.804 0.2 . 1 . . . . . 34 DG C8 . 52690 1
367 . 1 . 1 25 25 DA H1' H 1 5.899 0.02 . 1 . . . . . 35 DA H1' . 52690 1
368 . 1 . 1 25 25 DA H2 H 1 8.085 0.02 . 1 . . . . . 35 DA H2 . 52690 1
369 . 1 . 1 25 25 DA H2' H 1 1.412 0.02 . 1 . . . . . 35 DA H2' . 52690 1
370 . 1 . 1 25 25 DA H2'' H 1 2.06 0.02 . 1 . . . . . 35 DA H2'' . 52690 1
371 . 1 . 1 25 25 DA H3' H 1 4.779 0.02 . 1 . . . . . 35 DA H3' . 52690 1
372 . 1 . 1 25 25 DA H4' H 1 4.296 0.02 . 1 . . . . . 35 DA H4' . 52690 1
373 . 1 . 1 25 25 DA H5' H 1 4.093 0.02 . 2 . . . . . 35 DA H5' . 52690 1
374 . 1 . 1 25 25 DA H5'' H 1 4.023 0.02 . 2 . . . . . 35 DA H5'' . 52690 1
375 . 1 . 1 25 25 DA H8 H 1 7.382 0.02 . 1 . . . . . 35 DA H8 . 52690 1
376 . 1 . 1 25 25 DA C1' C 13 83.948 0.2 . 1 . . . . . 35 DA C1' . 52690 1
377 . 1 . 1 25 25 DA C2 C 13 154.722 0.2 . 1 . . . . . 35 DA C2 . 52690 1
378 . 1 . 1 25 25 DA C5 C 13 67.976 0.2 . 1 . . . . . 35 DA C5 . 52690 1
379 . 1 . 1 25 25 DA C8 C 13 139.442 0.2 . 1 . . . . . 35 DA C8 . 52690 1
380 . 1 . 1 26 26 DG H1' H 1 5.473 0.02 . 1 . . . . . 36 DG H1' . 52690 1
381 . 1 . 1 26 26 DG H2' H 1 2.791 0.02 . 1 . . . . . 36 DG H2' . 52690 1
382 . 1 . 1 26 26 DG H2'' H 1 2.48 0.02 . 1 . . . . . 36 DG H2'' . 52690 1
383 . 1 . 1 26 26 DG H3' H 1 5.011 0.02 . 1 . . . . . 36 DG H3' . 52690 1
384 . 1 . 1 26 26 DG H4' H 1 4.313 0.02 . 1 . . . . . 36 DG H4' . 52690 1
385 . 1 . 1 26 26 DG H5' H 1 3.877 0.02 . 2 . . . . . 36 DG H5' . 52690 1
386 . 1 . 1 26 26 DG H5'' H 1 3.883 0.02 . 2 . . . . . 36 DG H5'' . 52690 1
387 . 1 . 1 26 26 DG H8 H 1 7.99 0.02 . 1 . . . . . 36 DG H8 . 52690 1
388 . 1 . 1 26 26 DG C1' C 13 84.996 0.2 . 1 . . . . . 36 DG C1' . 52690 1
389 . 1 . 1 26 26 DG C3' C 13 80.388 0.2 . 1 . . . . . 36 DG C3' . 52690 1
390 . 1 . 1 26 26 DG C5' C 13 67.815 0.2 . 1 . . . . . 36 DG C5' . 52690 1
391 . 1 . 1 26 26 DG C8 C 13 138.717 0.2 . 1 . . . . . 36 DG C8 . 52690 1
392 . 1 . 1 27 27 DT H1' H 1 5.939 0.02 . 1 . . . . . 37 DT H1' . 52690 1
393 . 1 . 1 27 27 DT H2' H 1 2.231 0.02 . 1 . . . . . 37 DT H2' . 52690 1
394 . 1 . 1 27 27 DT H2'' H 1 2.063 0.02 . 1 . . . . . 37 DT H2'' . 52690 1
395 . 1 . 1 27 27 DT H3' H 1 4.37 0.02 . 1 . . . . . 37 DT H3' . 52690 1
396 . 1 . 1 27 27 DT H4' H 1 4.126 0.02 . 1 . . . . . 37 DT H4' . 52690 1
397 . 1 . 1 27 27 DT H5' H 1 4.005 0.02 . 2 . . . . . 37 DT H5' . 52690 1
398 . 1 . 1 27 27 DT H5'' H 1 4.005 0.02 . 2 . . . . . 37 DT H5'' . 52690 1
399 . 1 . 1 27 27 DT H6 H 1 7.482 0.02 . 1 . . . . . 37 DT H6 . 52690 1
400 . 1 . 1 27 27 DT H71 H 1 1.644 0.02 . 1 . . . . . 37 DT H71 . 52690 1
401 . 1 . 1 27 27 DT H72 H 1 1.644 0.02 . 1 . . . . . 37 DT H72 . 52690 1
402 . 1 . 1 27 27 DT H73 H 1 1.644 0.02 . 1 . . . . . 37 DT H73 . 52690 1
403 . 1 . 1 27 27 DT C1' C 13 88.763 0.2 . 1 . . . . . 37 DT C1' . 52690 1
404 . 1 . 1 27 27 DT C3' C 13 73.119 0.2 . 1 . . . . . 37 DT C3' . 52690 1
405 . 1 . 1 27 27 DT C4' C 13 88.27 0.2 . 1 . . . . . 37 DT C4' . 52690 1
406 . 1 . 1 27 27 DT C5' C 13 67.534 0.2 . 1 . . . . . 37 DT C5' . 52690 1
407 . 1 . 1 27 27 DT C6 C 13 138.794 0.2 . 1 . . . . . 37 DT C6 . 52690 1
408 . 2 . 2 1 1 LDP H2 H 1 6.624 0.02 . 1 . . . . . 38 LDP H2 . 52690 1
409 . 2 . 2 1 1 LDP H5 H 1 5.375 0.02 . 1 . . . . . 38 LDP H5 . 52690 1
410 . 2 . 2 1 1 LDP H6 H 1 5.979 0.02 . 1 . . . . . 38 LDP H6 . 52690 1
411 . 2 . 2 1 1 LDP H71 H 1 2.823 0.02 . 2 . . . . . 38 LDP H71 . 52690 1
412 . 2 . 2 1 1 LDP H72 H 1 2.428 0.02 . 2 . . . . . 38 LDP H72 . 52690 1
413 . 2 . 2 1 1 LDP HB1 H 1 3.191 0.02 . 2 . . . . . 38 LDP HB1 . 52690 1
414 . 2 . 2 1 1 LDP HB2 H 1 2.98 0.02 . 2 . . . . . 38 LDP HB2 . 52690 1
stop_
save_