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 34863
_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 1H-1H NOESY' . . . 34863 1
2 '2D 1H-13C HSQC aromatic' . . . 34863 1
3 '2D DQF-COSY' . . . 34863 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 DC H1' H 1 5.874 0.001 . 1 . . 375 . A 1 DC H1' . 34863 1
2 . 1 . 1 1 1 DC H2' H 1 2.286 0.003 . 1 . . 379 . A 1 DC H2' . 34863 1
3 . 1 . 1 1 1 DC H2'' H 1 2.588 0.006 . 1 . . 390 . A 1 DC H2'' . 34863 1
4 . 1 . 1 1 1 DC H3' H 1 4.644 0.001 . 1 . . 451 . A 1 DC H3' . 34863 1
5 . 1 . 1 1 1 DC H5 H 1 5.949 0.003 . 1 . . 376 . A 1 DC H5 . 34863 1
6 . 1 . 1 1 1 DC H6 H 1 7.891 0.003 . 1 . . 374 . A 1 DC H6 . 34863 1
7 . 1 . 1 1 1 DC H41 H 1 7.035 0.009 . 1 . . 491 . A 1 DC H41 . 34863 1
8 . 1 . 1 1 1 DC C6 C 13 143.216 0.005 . 1 . . 407 . A 1 DC C6 . 34863 1
9 . 1 . 1 2 2 DT H1' H 1 6.185 0.003 . 1 . . 380 . A 2 DT H1' . 34863 1
10 . 1 . 1 2 2 DT H2' H 1 2.225 0.003 . 1 . . 381 . A 2 DT H2' . 34863 1
11 . 1 . 1 2 2 DT H2'' H 1 2.599 0.001 . 1 . . 382 . A 2 DT H2'' . 34863 1
12 . 1 . 1 2 2 DT H3 H 1 13.899 0.002 . 1 . . 364 . A 2 DT H3 . 34863 1
13 . 1 . 1 2 2 DT H3' H 1 4.876 0.002 . 1 . . 452 . A 2 DT H3' . 34863 1
14 . 1 . 1 2 2 DT H6 H 1 7.613 0.001 . 1 . . 377 . A 2 DT H6 . 34863 1
15 . 1 . 1 2 2 DT H71 H 1 1.658 0.002 . 1 . . 378 . A 2 DT H71 . 34863 1
16 . 1 . 1 2 2 DT H72 H 1 1.658 0.002 . 1 . . 378 . A 2 DT H72 . 34863 1
17 . 1 . 1 2 2 DT H73 H 1 1.658 0.002 . 1 . . 378 . A 2 DT H73 . 34863 1
18 . 1 . 1 2 2 DT C6 C 13 139.848 0.011 . 1 . . 432 . A 2 DT C6 . 34863 1
19 . 1 . 1 3 3 DC H1' H 1 5.957 0.004 . 1 . . 330 . A 3 DC H1' . 34863 1
20 . 1 . 1 3 3 DC H2' H 1 2.066 0.003 . 1 . . 328 . A 3 DC H2' . 34863 1
21 . 1 . 1 3 3 DC H2'' H 1 2.372 0.004 . 1 . . 329 . A 3 DC H2'' . 34863 1
22 . 1 . 1 3 3 DC H3' H 1 4.799 0.004 . 1 . . 453 . A 3 DC H3' . 34863 1
23 . 1 . 1 3 3 DC H5 H 1 5.644 0.006 . 1 . . 218 . A 3 DC H5 . 34863 1
24 . 1 . 1 3 3 DC H6 H 1 7.508 0.002 . 1 . . 217 . A 3 DC H6 . 34863 1
25 . 1 . 1 3 3 DC H41 H 1 8.458 0.001 . 1 . . 252 . A 3 DC H41 . 34863 1
26 . 1 . 1 3 3 DC H42 H 1 6.762 0.002 . 1 . . 254 . A 3 DC H42 . 34863 1
27 . 1 . 1 3 3 DC C6 C 13 143.635 0.005 . 1 . . 422 . A 3 DC C6 . 34863 1
28 . 1 . 1 4 4 DC H1' H 1 5.124 0.004 . 1 . . 219 . A 4 DC H1' . 34863 1
29 . 1 . 1 4 4 DC H2' H 1 1.967 0.003 . 1 . . 326 . A 4 DC H2' . 34863 1
30 . 1 . 1 4 4 DC H2'' H 1 2.204 0.004 . 1 . . 327 . A 4 DC H2'' . 34863 1
31 . 1 . 1 4 4 DC H3' H 1 4.745 0.002 . 1 . . 454 . A 4 DC H3' . 34863 1
32 . 1 . 1 4 4 DC H5 H 1 5.598 0.002 . 1 . . 216 . A 4 DC H5 . 34863 1
33 . 1 . 1 4 4 DC H6 H 1 7.430 0.002 . 1 . . 215 . A 4 DC H6 . 34863 1
34 . 1 . 1 4 4 DC H41 H 1 8.554 0.001 . 1 . . 253 . A 4 DC H41 . 34863 1
35 . 1 . 1 4 4 DC H42 H 1 6.748 0.001 . 1 . . 255 . A 4 DC H42 . 34863 1
36 . 1 . 1 4 4 DC C6 C 13 143.358 0.009 . 1 . . 421 . A 4 DC C6 . 34863 1
37 . 1 . 1 5 5 DA H1' H 1 5.914 0.003 . 1 . . 221 . A 5 DA H1' . 34863 1
38 . 1 . 1 5 5 DA H2 H 1 7.576 0.002 . 1 . . 489 . A 5 DA H2 . 34863 1
39 . 1 . 1 5 5 DA H2' H 1 2.621 0.004 . 1 . . 383 . A 5 DA H2' . 34863 1
40 . 1 . 1 5 5 DA H2'' H 1 2.762 0.002 . 1 . . 384 . A 5 DA H2'' . 34863 1
41 . 1 . 1 5 5 DA H3' H 1 4.934 . . 1 . . 455 . A 5 DA H3' . 34863 1
42 . 1 . 1 5 5 DA H8 H 1 8.057 0.002 . 1 . . 220 . A 5 DA H8 . 34863 1
43 . 1 . 1 5 5 DA C2 C 13 154.403 0.001 . 1 . . 503 . A 5 DA C2 . 34863 1
44 . 1 . 1 5 5 DA C8 C 13 141.632 0.009 . 1 . . 404 . A 5 DA C8 . 34863 1
45 . 1 . 1 6 6 DG H1 H 1 12.617 0.002 . 1 . . 497 . A 6 DG H1 . 34863 1
46 . 1 . 1 6 6 DG H1' H 1 5.516 0.002 . 1 . . 223 . A 6 DG H1' . 34863 1
47 . 1 . 1 6 6 DG H2' H 1 2.301 0.006 . 1 . . 385 . A 6 DG H2' . 34863 1
48 . 1 . 1 6 6 DG H2'' H 1 2.389 0.003 . 1 . . 386 . A 6 DG H2'' . 34863 1
49 . 1 . 1 6 6 DG H3' H 1 4.790 0.004 . 1 . . 456 . A 6 DG H3' . 34863 1
50 . 1 . 1 6 6 DG H8 H 1 7.499 0.001 . 1 . . 222 . A 6 DG H8 . 34863 1
51 . 1 . 1 6 6 DG C8 C 13 137.009 0.027 . 1 . . 431 . A 6 DG C8 . 34863 1
52 . 1 . 1 7 7 DC H1' H 1 5.723 0.002 . 1 . . 226 . A 7 DC H1' . 34863 1
53 . 1 . 1 7 7 DC H2' H 1 1.672 0.002 . 1 . . 388 . A 7 DC H2' . 34863 1
54 . 1 . 1 7 7 DC H2'' H 1 2.290 0.001 . 1 . . 387 . A 7 DC H2'' . 34863 1
55 . 1 . 1 7 7 DC H3' H 1 4.481 0.001 . 1 . . 457 . A 7 DC H3' . 34863 1
56 . 1 . 1 7 7 DC H5 H 1 5.002 0.003 . 1 . . 225 . A 7 DC H5 . 34863 1
57 . 1 . 1 7 7 DC H6 H 1 7.082 0.002 . 1 . . 224 . A 7 DC H6 . 34863 1
58 . 1 . 1 7 7 DC H41 H 1 6.298 0.001 . 1 . . 498 . A 7 DC H41 . 34863 1
59 . 1 . 1 7 7 DC H42 H 1 7.729 0.001 . 1 . . 500 . A 7 DC H42 . 34863 1
60 . 1 . 1 7 7 DC C6 C 13 142.354 . . 1 . . 506 . A 7 DC C6 . 34863 1
61 . 1 . 1 8 8 DT H1' H 1 5.833 0.002 . 1 . . 228 . A 8 DT H1' . 34863 1
62 . 1 . 1 8 8 DT H2' H 1 2.188 0.001 . 1 . . 257 . A 8 DT H2' . 34863 1
63 . 1 . 1 8 8 DT H2'' H 1 2.803 0.003 . 1 . . 258 . A 8 DT H2'' . 34863 1
64 . 1 . 1 8 8 DT H3 H 1 13.553 0.004 . 1 . . 250 . A 8 DT H3 . 34863 1
65 . 1 . 1 8 8 DT H3' H 1 4.772 0.005 . 1 . . 461 . A 8 DT H3' . 34863 1
66 . 1 . 1 8 8 DT H6 H 1 7.094 0.001 . 1 . . 227 . A 8 DT H6 . 34863 1
67 . 1 . 1 8 8 DT H71 H 1 1.072 0.002 . 1 . . 229 . A 8 DT H71 . 34863 1
68 . 1 . 1 8 8 DT H72 H 1 1.072 0.002 . 1 . . 229 . A 8 DT H72 . 34863 1
69 . 1 . 1 8 8 DT H73 H 1 1.072 0.002 . 1 . . 229 . A 8 DT H73 . 34863 1
70 . 1 . 1 8 8 DT C6 C 13 139.168 0.005 . 1 . . 418 . A 8 DT C6 . 34863 1
71 . 1 . 1 9 9 DG H1 H 1 11.087 0.002 . 1 . . 259 . A 9 DG H1 . 34863 1
72 . 1 . 1 9 9 DG H1' H 1 5.783 0.003 . 1 . . 297 . A 9 DG H1' . 34863 1
73 . 1 . 1 9 9 DG H2' H 1 2.956 0.004 . 1 . . 301 . A 9 DG H2' . 34863 1
74 . 1 . 1 9 9 DG H2'' H 1 2.728 0.003 . 1 . . 300 . A 9 DG H2'' . 34863 1
75 . 1 . 1 9 9 DG H3' H 1 4.952 0.002 . 1 . . 459 . A 9 DG H3' . 34863 1
76 . 1 . 1 9 9 DG H8 H 1 7.233 0.002 . 1 . . 296 . A 9 DG H8 . 34863 1
77 . 1 . 1 9 9 DG C8 C 13 141.776 0.007 . 1 . . 419 . A 9 DG C8 . 34863 1
78 . 1 . 1 10 10 DG H1 H 1 11.814 0.001 . 1 . . 318 . A 10 DG H1 . 34863 1
79 . 1 . 1 10 10 DG H1' H 1 5.879 0.004 . 1 . . 298 . A 10 DG H1' . 34863 1
80 . 1 . 1 10 10 DG H2' H 1 2.540 0.003 . 1 . . 303 . A 10 DG H2' . 34863 1
81 . 1 . 1 10 10 DG H2'' H 1 2.758 0.003 . 1 . . 302 . A 10 DG H2'' . 34863 1
82 . 1 . 1 10 10 DG H3' H 1 5.032 0.003 . 1 . . 460 . A 10 DG H3' . 34863 1
83 . 1 . 1 10 10 DG H8 H 1 7.924 0.001 . 1 . . 299 . A 10 DG H8 . 34863 1
84 . 1 . 1 10 10 DG C8 C 13 138.441 . . 1 . . 408 . A 10 DG C8 . 34863 1
85 . 1 . 1 11 11 DG H1 H 1 11.302 0.002 . 1 . . 325 . A 11 DG H1 . 34863 1
86 . 1 . 1 11 11 DG H1' H 1 6.167 0.002 . 1 . . 305 . A 11 DG H1' . 34863 1
87 . 1 . 1 11 11 DG H2' H 1 2.529 0.002 . 1 . . 389 . A 11 DG H2' . 34863 1
88 . 1 . 1 11 11 DG H2'' H 1 2.701 0.002 . 1 . . 306 . A 11 DG H2'' . 34863 1
89 . 1 . 1 11 11 DG H3' H 1 5.026 0.003 . 1 . . 462 . A 11 DG H3' . 34863 1
90 . 1 . 1 11 11 DG H8 H 1 7.582 0.002 . 1 . . 304 . A 11 DG H8 . 34863 1
91 . 1 . 1 11 11 DG C8 C 13 137.518 0.022 . 1 . . 423 . A 11 DG C8 . 34863 1
92 . 1 . 1 12 12 DT H1' H 1 6.192 0.005 . 1 . . 309 . A 12 DT H1' . 34863 1
93 . 1 . 1 12 12 DT H2' H 1 2.070 0.001 . 1 . . 310 . A 12 DT H2' . 34863 1
94 . 1 . 1 12 12 DT H2'' H 1 2.344 0.002 . 1 . . 311 . A 12 DT H2'' . 34863 1
95 . 1 . 1 12 12 DT H3' H 1 4.743 0.001 . 1 . . 465 . A 12 DT H3' . 34863 1
96 . 1 . 1 12 12 DT H6 H 1 7.516 0.002 . 1 . . 307 . A 12 DT H6 . 34863 1
97 . 1 . 1 12 12 DT H71 H 1 1.794 0.002 . 1 . . 308 . A 12 DT H71 . 34863 1
98 . 1 . 1 12 12 DT H72 H 1 1.794 0.002 . 1 . . 308 . A 12 DT H72 . 34863 1
99 . 1 . 1 12 12 DT H73 H 1 1.794 0.002 . 1 . . 308 . A 12 DT H73 . 34863 1
100 . 1 . 1 12 12 DT C6 C 13 139.470 0.007 . 1 . . 425 . A 12 DT C6 . 34863 1
101 . 1 . 1 13 13 DG H1' H 1 5.784 0.002 . 1 . . 313 . A 13 DG H1' . 34863 1
102 . 1 . 1 13 13 DG H2' H 1 2.389 0.002 . 1 . . 345 . A 13 DG H2' . 34863 1
103 . 1 . 1 13 13 DG H2'' H 1 2.438 0.008 . 1 . . 346 . A 13 DG H2'' . 34863 1
104 . 1 . 1 13 13 DG H3' H 1 4.710 0.001 . 1 . . 464 . A 13 DG H3' . 34863 1
105 . 1 . 1 13 13 DG H8 H 1 7.875 0.002 . 1 . . 312 . A 13 DG H8 . 34863 1
106 . 1 . 1 13 13 DG C8 C 13 139.671 0.011 . 1 . . 410 . A 13 DG C8 . 34863 1
107 . 1 . 1 14 14 DA H1' H 1 5.664 0.003 . 1 . . 348 . A 14 DA H1' . 34863 1
108 . 1 . 1 14 14 DA H2 H 1 7.602 0.001 . 1 . . 324 . A 14 DA H2 . 34863 1
109 . 1 . 1 14 14 DA H2' H 1 1.900 0.001 . 1 . . 349 . A 14 DA H2' . 34863 1
110 . 1 . 1 14 14 DA H2'' H 1 2.300 0.002 . 1 . . 350 . A 14 DA H2'' . 34863 1
111 . 1 . 1 14 14 DA H3' H 1 4.682 0.002 . 1 . . 466 . A 14 DA H3' . 34863 1
112 . 1 . 1 14 14 DA H5' H 1 3.429 0.002 . 2 . . 484 . A 14 DA H5' . 34863 1
113 . 1 . 1 14 14 DA H5'' H 1 3.281 0.003 . 2 . . 485 . A 14 DA H5'' . 34863 1
114 . 1 . 1 14 14 DA H8 H 1 7.751 0.003 . 1 . . 347 . A 14 DA H8 . 34863 1
115 . 1 . 1 14 14 DA C2 C 13 154.364 0.003 . 1 . . 502 . A 14 DA C2 . 34863 1
116 . 1 . 1 14 14 DA C8 C 13 140.601 0.018 . 1 . . 426 . A 14 DA C8 . 34863 1
117 . 1 . 1 15 15 DG H1 H 1 10.630 0.003 . 1 . . 322 . A 15 DG H1 . 34863 1
118 . 1 . 1 15 15 DG H1' H 1 6.225 0.003 . 1 . . 315 . A 15 DG H1' . 34863 1
119 . 1 . 1 15 15 DG H2' H 1 2.768 0.001 . 1 . . 316 . A 15 DG H2' . 34863 1
120 . 1 . 1 15 15 DG H2'' H 1 3.019 0.002 . 1 . . 317 . A 15 DG H2'' . 34863 1
121 . 1 . 1 15 15 DG H3' H 1 6.017 0.001 . 1 . . 486 . A 15 DG H3' . 34863 1
122 . 1 . 1 15 15 DG H8 H 1 7.064 0.002 . 1 . . 314 . A 15 DG H8 . 34863 1
123 . 1 . 1 15 15 DG C8 C 13 140.252 0.005 . 1 . . 417 . A 15 DG C8 . 34863 1
124 . 1 . 1 16 16 DG H1 H 1 11.382 0.002 . 1 . . 492 . A 16 DG H1 . 34863 1
125 . 1 . 1 16 16 DG H1' H 1 6.093 0.003 . 1 . . 274 . A 16 DG H1' . 34863 1
126 . 1 . 1 16 16 DG H2' H 1 2.952 0.0 . 1 . . 272 . A 16 DG H2' . 34863 1
127 . 1 . 1 16 16 DG H2'' H 1 2.661 0.002 . 1 . . 273 . A 16 DG H2'' . 34863 1
128 . 1 . 1 16 16 DG H3' H 1 5.000 0.001 . 1 . . 275 . A 16 DG H3' . 34863 1
129 . 1 . 1 16 16 DG H8 H 1 7.467 0.002 . 1 . . 271 . A 16 DG H8 . 34863 1
130 . 1 . 1 16 16 DG C8 C 13 136.946 0.002 . 1 . . 427 . A 16 DG C8 . 34863 1
131 . 1 . 1 17 17 DG H1 H 1 11.593 0.001 . 1 . . 295 . A 17 DG H1 . 34863 1
132 . 1 . 1 17 17 DG H1' H 1 6.133 0.004 . 1 . . 320 . A 17 DG H1' . 34863 1
133 . 1 . 1 17 17 DG H2' H 1 2.919 0.003 . 1 . . 341 . A 17 DG H2' . 34863 1
134 . 1 . 1 17 17 DG H2'' H 1 2.524 0.001 . 1 . . 342 . A 17 DG H2'' . 34863 1
135 . 1 . 1 17 17 DG H3' H 1 4.780 0.005 . 1 . . 469 . A 17 DG H3' . 34863 1
136 . 1 . 1 17 17 DG H8 H 1 7.686 0.002 . 1 . . 319 . A 17 DG H8 . 34863 1
137 . 1 . 1 17 17 DG C8 C 13 138.049 0.016 . 1 . . 428 . A 17 DG C8 . 34863 1
138 . 1 . 1 18 18 DG H1 H 1 11.086 0.002 . 1 . . 269 . A 18 DG H1 . 34863 1
139 . 1 . 1 18 18 DG H1' H 1 6.252 0.004 . 1 . . 331 . A 18 DG H1' . 34863 1
140 . 1 . 1 18 18 DG H2' H 1 2.839 0.002 . 1 . . 340 . A 18 DG H2' . 34863 1
141 . 1 . 1 18 18 DG H2'' H 1 2.641 0.002 . 1 . . 339 . A 18 DG H2'' . 34863 1
142 . 1 . 1 18 18 DG H3' H 1 4.958 0.001 . 1 . . 468 . A 18 DG H3' . 34863 1
143 . 1 . 1 18 18 DG H8 H 1 7.929 0.002 . 1 . . 323 . A 18 DG H8 . 34863 1
144 . 1 . 1 18 18 DG C8 C 13 137.651 . . 1 . . 507 . A 18 DG C8 . 34863 1
145 . 1 . 1 19 19 DC H1' H 1 6.466 0.002 . 1 . . 335 . A 19 DC H1' . 34863 1
146 . 1 . 1 19 19 DC H2' H 1 2.277 0.003 . 1 . . 333 . A 19 DC H2' . 34863 1
147 . 1 . 1 19 19 DC H2'' H 1 2.634 0.002 . 1 . . 334 . A 19 DC H2'' . 34863 1
148 . 1 . 1 19 19 DC H3' H 1 4.585 0.001 . 1 . . 471 . A 19 DC H3' . 34863 1
149 . 1 . 1 19 19 DC H4' H 1 4.546 0.001 . 1 . . 472 . A 19 DC H4' . 34863 1
150 . 1 . 1 19 19 DC H5 H 1 6.137 0.0 . 1 . . 336 . A 19 DC H5 . 34863 1
151 . 1 . 1 19 19 DC H6 H 1 7.950 0.002 . 1 . . 332 . A 19 DC H6 . 34863 1
152 . 1 . 1 19 19 DC C6 C 13 144.228 0.014 . 1 . . 406 . A 19 DC C6 . 34863 1
153 . 1 . 1 20 20 DT H1' H 1 6.629 0.002 . 1 . . 288 . A 20 DT H1' . 34863 1
154 . 1 . 1 20 20 DT H2' H 1 2.658 0.003 . 1 . . 337 . A 20 DT H2' . 34863 1
155 . 1 . 1 20 20 DT H2'' H 1 2.664 0.0 . 1 . . 338 . A 20 DT H2'' . 34863 1
156 . 1 . 1 20 20 DT H3' H 1 5.033 0.0 . 1 . . 470 . A 20 DT H3' . 34863 1
157 . 1 . 1 20 20 DT H6 H 1 7.832 0.001 . 1 . . 289 . A 20 DT H6 . 34863 1
158 . 1 . 1 20 20 DT H71 H 1 2.107 0.001 . 1 . . 290 . A 20 DT H71 . 34863 1
159 . 1 . 1 20 20 DT H72 H 1 2.107 0.001 . 1 . . 290 . A 20 DT H72 . 34863 1
160 . 1 . 1 20 20 DT H73 H 1 2.107 0.001 . 1 . . 290 . A 20 DT H73 . 34863 1
161 . 1 . 1 20 20 DT C6 C 13 140.449 0.017 . 1 . . 411 . A 20 DT C6 . 34863 1
162 . 1 . 1 21 21 DG H1 H 1 11.654 0.001 . 1 . . 270 . A 21 DG H1 . 34863 1
163 . 1 . 1 21 21 DG H1' H 1 5.964 0.001 . 1 . . 287 . A 21 DG H1' . 34863 1
164 . 1 . 1 21 21 DG H2' H 1 2.957 0.002 . 1 . . 293 . A 21 DG H2' . 34863 1
165 . 1 . 1 21 21 DG H2'' H 1 2.835 0.001 . 1 . . 292 . A 21 DG H2'' . 34863 1
166 . 1 . 1 21 21 DG H3' H 1 4.826 0.001 . 1 . . 505 . A 21 DG H3' . 34863 1
167 . 1 . 1 21 21 DG H8 H 1 7.359 0.002 . 1 . . 286 . A 21 DG H8 . 34863 1
168 . 1 . 1 21 21 DG C8 C 13 142.118 0.012 . 1 . . 420 . A 21 DG C8 . 34863 1
169 . 1 . 1 22 22 DG H1 H 1 11.501 0.003 . 1 . . 493 . A 22 DG H1 . 34863 1
170 . 1 . 1 22 22 DG H1' H 1 5.965 0.001 . 1 . . 291 . A 22 DG H1' . 34863 1
171 . 1 . 1 22 22 DG H2' H 1 2.641 0.006 . 1 . . 344 . A 22 DG H2' . 34863 1
172 . 1 . 1 22 22 DG H2'' H 1 2.745 0.002 . 1 . . 343 . A 22 DG H2'' . 34863 1
173 . 1 . 1 22 22 DG H3' H 1 5.065 0.002 . 1 . . 476 . A 22 DG H3' . 34863 1
174 . 1 . 1 22 22 DG H8 H 1 7.707 0.001 . 1 . . 294 . A 22 DG H8 . 34863 1
175 . 1 . 1 22 22 DG C8 C 13 138.022 . . 1 . . 509 . A 22 DG C8 . 34863 1
176 . 1 . 1 23 23 DG H1 H 1 11.386 0.003 . 1 . . 494 . A 23 DG H1 . 34863 1
177 . 1 . 1 23 23 DG H1' H 1 6.257 0.002 . 1 . . 262 . A 23 DG H1' . 34863 1
178 . 1 . 1 23 23 DG H2' H 1 2.533 0.002 . 1 . . 266 . A 23 DG H2' . 34863 1
179 . 1 . 1 23 23 DG H2'' H 1 2.860 0.001 . 1 . . 267 . A 23 DG H2'' . 34863 1
180 . 1 . 1 23 23 DG H3' H 1 4.966 0.001 . 1 . . 475 . A 23 DG H3' . 34863 1
181 . 1 . 1 23 23 DG H8 H 1 7.602 0.002 . 1 . . 268 . A 23 DG H8 . 34863 1
182 . 1 . 1 23 23 DG C8 C 13 137.097 0.025 . 1 . . 429 . A 23 DG C8 . 34863 1
183 . 1 . 1 24 24 DT H1' H 1 6.088 0.001 . 1 . . 261 . A 24 DT H1' . 34863 1
184 . 1 . 1 24 24 DT H2' H 1 2.174 0.001 . 1 . . 264 . A 24 DT H2' . 34863 1
185 . 1 . 1 24 24 DT H2'' H 1 2.173 0.001 . 1 . . 265 . A 24 DT H2'' . 34863 1
186 . 1 . 1 24 24 DT H3' H 1 4.522 0.001 . 1 . . 474 . A 24 DT H3' . 34863 1
187 . 1 . 1 24 24 DT H6 H 1 7.288 0.002 . 1 . . 260 . A 24 DT H6 . 34863 1
188 . 1 . 1 24 24 DT H71 H 1 1.623 0.003 . 1 . . 263 . A 24 DT H71 . 34863 1
189 . 1 . 1 24 24 DT H72 H 1 1.623 0.003 . 1 . . 263 . A 24 DT H72 . 34863 1
190 . 1 . 1 24 24 DT H73 H 1 1.623 0.003 . 1 . . 263 . A 24 DT H73 . 34863 1
191 . 1 . 1 24 24 DT C6 C 13 138.754 0.011 . 1 . . 430 . A 24 DT C6 . 34863 1
192 . 2 . 2 1 1 DT H1' H 1 6.491 0.002 . 1 . . 480 . B 25 DT H1' . 34863 1
193 . 2 . 2 1 1 DT H2' H 1 2.513 0.002 . 1 . . 481 . B 25 DT H2' . 34863 1
194 . 2 . 2 1 1 DT H2'' H 1 2.680 0.002 . 1 . . 482 . B 25 DT H2'' . 34863 1
195 . 2 . 2 1 1 DT H3' H 1 5.011 0.001 . 1 . . 483 . B 25 DT H3' . 34863 1
196 . 2 . 2 1 1 DT H6 H 1 7.779 0.002 . 1 . . 478 . B 25 DT H6 . 34863 1
197 . 2 . 2 1 1 DT H71 H 1 1.946 0.005 . 1 . . 479 . B 25 DT H71 . 34863 1
198 . 2 . 2 1 1 DT H72 H 1 1.946 0.005 . 1 . . 479 . B 25 DT H72 . 34863 1
199 . 2 . 2 1 1 DT H73 H 1 1.946 0.005 . 1 . . 479 . B 25 DT H73 . 34863 1
200 . 2 . 2 1 1 DT C6 C 13 140.374 0.006 . 1 . . 487 . B 25 DT C6 . 34863 1
201 . 2 . 2 2 2 DT H1' H 1 6.236 0.002 . 1 . . 281 . B 26 DT H1' . 34863 1
202 . 2 . 2 2 2 DT H2' H 1 2.299 0.002 . 1 . . 284 . B 26 DT H2' . 34863 1
203 . 2 . 2 2 2 DT H2'' H 1 2.578 0.003 . 1 . . 285 . B 26 DT H2'' . 34863 1
204 . 2 . 2 2 2 DT H3' H 1 4.833 0.004 . 1 . . 477 . B 26 DT H3' . 34863 1
205 . 2 . 2 2 2 DT H6 H 1 7.672 0.001 . 1 . . 283 . B 26 DT H6 . 34863 1
206 . 2 . 2 2 2 DT H71 H 1 1.876 0.002 . 1 . . 282 . B 26 DT H71 . 34863 1
207 . 2 . 2 2 2 DT H72 H 1 1.876 0.002 . 1 . . 282 . B 26 DT H72 . 34863 1
208 . 2 . 2 2 2 DT H73 H 1 1.876 0.002 . 1 . . 282 . B 26 DT H73 . 34863 1
209 . 2 . 2 2 2 DT C6 C 13 139.734 0.001 . 1 . . 434 . B 26 DT C6 . 34863 1
210 . 2 . 2 3 3 DG H1 H 1 11.514 0.003 . 1 . . 321 . B 27 DG H1 . 34863 1
211 . 2 . 2 3 3 DG H1' H 1 5.537 0.003 . 1 . . 277 . B 27 DG H1' . 34863 1
212 . 2 . 2 3 3 DG H2' H 1 3.004 0.004 . 1 . . 280 . B 27 DG H2' . 34863 1
213 . 2 . 2 3 3 DG H2'' H 1 2.691 0.005 . 1 . . 279 . B 27 DG H2'' . 34863 1
214 . 2 . 2 3 3 DG H3' H 1 4.935 0.002 . 1 . . 441 . B 27 DG H3' . 34863 1
215 . 2 . 2 3 3 DG H8 H 1 6.800 0.002 . 1 . . 278 . B 27 DG H8 . 34863 1
216 . 2 . 2 3 3 DG C8 C 13 140.570 0.005 . 1 . . 416 . B 27 DG C8 . 34863 1
217 . 2 . 2 4 4 DG H1 H 1 11.812 0.002 . 1 . . 251 . B 28 DG H1 . 34863 1
218 . 2 . 2 4 4 DG H1' H 1 5.651 0.002 . 1 . . 246 . B 28 DG H1' . 34863 1
219 . 2 . 2 4 4 DG H2' H 1 2.712 0.003 . 1 . . 396 . B 28 DG H2' . 34863 1
220 . 2 . 2 4 4 DG H2'' H 1 2.717 0.003 . 1 . . 438 . B 28 DG H2'' . 34863 1
221 . 2 . 2 4 4 DG H3' H 1 5.049 0.004 . 1 . . 440 . B 28 DG H3' . 34863 1
222 . 2 . 2 4 4 DG H8 H 1 8.068 0.002 . 1 . . 276 . B 28 DG H8 . 34863 1
223 . 2 . 2 4 4 DG C8 C 13 138.592 0.03 . 1 . . 403 . B 28 DG C8 . 34863 1
224 . 2 . 2 5 5 DA H1' H 1 6.208 0.001 . 1 . . 244 . B 29 DA H1' . 34863 1
225 . 2 . 2 5 5 DA H2 H 1 7.262 0.003 . 1 . . 249 . B 29 DA H2 . 34863 1
226 . 2 . 2 5 5 DA H2' H 1 2.666 0.002 . 1 . . 248 . B 29 DA H2' . 34863 1
227 . 2 . 2 5 5 DA H2'' H 1 2.934 0.001 . 1 . . 247 . B 29 DA H2'' . 34863 1
228 . 2 . 2 5 5 DA H3' H 1 5.115 0.002 . 1 . . 439 . B 29 DA H3' . 34863 1
229 . 2 . 2 5 5 DA H8 H 1 8.146 0.002 . 1 . . 245 . B 29 DA H8 . 34863 1
230 . 2 . 2 5 5 DA C2 C 13 154.320 0.0 . 1 . . 504 . B 29 DA C2 . 34863 1
231 . 2 . 2 5 5 DA C8 C 13 140.957 0.001 . 1 . . 402 . B 29 DA C8 . 34863 1
232 . 2 . 2 6 6 DG H1 H 1 12.705 0.003 . 1 . . 499 . B 30 DG H1 . 34863 1
233 . 2 . 2 6 6 DG H1' H 1 5.690 0.002 . 1 . . 239 . B 30 DG H1' . 34863 1
234 . 2 . 2 6 6 DG H2' H 1 2.483 0.003 . 1 . . 242 . B 30 DG H2' . 34863 1
235 . 2 . 2 6 6 DG H2'' H 1 2.611 0.004 . 1 . . 243 . B 30 DG H2'' . 34863 1
236 . 2 . 2 6 6 DG H3' H 1 4.964 0.001 . 1 . . 442 . B 30 DG H3' . 34863 1
237 . 2 . 2 6 6 DG H8 H 1 7.624 0.001 . 1 . . 241 . B 30 DG H8 . 34863 1
238 . 2 . 2 6 6 DG C8 C 13 137.189 0.003 . 1 . . 412 . B 30 DG C8 . 34863 1
239 . 2 . 2 7 7 DC H1' H 1 5.804 0.003 . 1 . . 236 . B 31 DC H1' . 34863 1
240 . 2 . 2 7 7 DC H2' H 1 1.905 0.004 . 1 . . 354 . B 31 DC H2' . 34863 1
241 . 2 . 2 7 7 DC H2'' H 1 2.376 0.001 . 1 . . 355 . B 31 DC H2'' . 34863 1
242 . 2 . 2 7 7 DC H3' H 1 4.707 0.001 . 1 . . 443 . B 31 DC H3' . 34863 1
243 . 2 . 2 7 7 DC H5 H 1 5.129 0.002 . 1 . . 238 . B 31 DC H5 . 34863 1
244 . 2 . 2 7 7 DC H6 H 1 7.263 0.002 . 1 . . 237 . B 31 DC H6 . 34863 1
245 . 2 . 2 7 7 DC H41 H 1 7.927 0.001 . 1 . . 240 . B 31 DC H41 . 34863 1
246 . 2 . 2 7 7 DC H42 H 1 6.296 0.003 . 1 . . 256 . B 31 DC H42 . 34863 1
247 . 2 . 2 7 7 DC C6 C 13 142.313 0.011 . 1 . . 437 . B 31 DC C6 . 34863 1
248 . 2 . 2 8 8 DT H1' H 1 5.543 0.002 . 1 . . 214 . B 32 DT H1' . 34863 1
249 . 2 . 2 8 8 DT H2' H 1 1.936 0.002 . 1 . . 352 . B 32 DT H2' . 34863 1
250 . 2 . 2 8 8 DT H2'' H 1 2.247 0.002 . 1 . . 353 . B 32 DT H2'' . 34863 1
251 . 2 . 2 8 8 DT H3 H 1 13.892 0.003 . 1 . . 490 . B 32 DT H3 . 34863 1
252 . 2 . 2 8 8 DT H3' H 1 4.781 0.003 . 1 . . 444 . B 32 DT H3' . 34863 1
253 . 2 . 2 8 8 DT H6 H 1 7.208 0.002 . 1 . . 213 . B 32 DT H6 . 34863 1
254 . 2 . 2 8 8 DT H71 H 1 1.538 0.004 . 1 . . 351 . B 32 DT H71 . 34863 1
255 . 2 . 2 8 8 DT H72 H 1 1.538 0.004 . 1 . . 351 . B 32 DT H72 . 34863 1
256 . 2 . 2 8 8 DT H73 H 1 1.538 0.004 . 1 . . 351 . B 32 DT H73 . 34863 1
257 . 2 . 2 8 8 DT C6 C 13 139.418 0.006 . 1 . . 436 . B 32 DT C6 . 34863 1
258 . 2 . 2 9 9 DG H1 H 1 12.867 0.004 . 1 . . 496 . B 33 DG H1 . 34863 1
259 . 2 . 2 9 9 DG H1' H 1 5.468 0.003 . 1 . . 231 . B 33 DG H1' . 34863 1
260 . 2 . 2 9 9 DG H2' H 1 2.604 0.003 . 1 . . 357 . B 33 DG H2' . 34863 1
261 . 2 . 2 9 9 DG H2'' H 1 2.666 0.002 . 1 . . 356 . B 33 DG H2'' . 34863 1
262 . 2 . 2 9 9 DG H3' H 1 4.929 0.001 . 1 . . 445 . B 33 DG H3' . 34863 1
263 . 2 . 2 9 9 DG H8 H 1 7.774 0.001 . 1 . . 230 . B 33 DG H8 . 34863 1
264 . 2 . 2 9 9 DG C8 C 13 138.515 0.005 . 1 . . 413 . B 33 DG C8 . 34863 1
265 . 2 . 2 10 10 DG H1 H 1 12.737 0.003 . 1 . . 495 . B 34 DG H1 . 34863 1
266 . 2 . 2 10 10 DG H1' H 1 5.440 0.002 . 1 . . 233 . B 34 DG H1' . 34863 1
267 . 2 . 2 10 10 DG H2' H 1 2.534 0.001 . 1 . . 358 . B 34 DG H2' . 34863 1
268 . 2 . 2 10 10 DG H2'' H 1 2.647 0.003 . 1 . . 359 . B 34 DG H2'' . 34863 1
269 . 2 . 2 10 10 DG H3' H 1 4.937 0.004 . 1 . . 446 . B 34 DG H3' . 34863 1
270 . 2 . 2 10 10 DG H8 H 1 7.711 0.001 . 1 . . 232 . B 34 DG H8 . 34863 1
271 . 2 . 2 10 10 DG C8 C 13 137.637 0.003 . 1 . . 414 . B 34 DG C8 . 34863 1
272 . 2 . 2 11 11 DA H1' H 1 6.030 0.001 . 1 . . 235 . B 35 DA H1' . 34863 1
273 . 2 . 2 11 11 DA H2 H 1 7.746 0.002 . 1 . . 363 . B 35 DA H2 . 34863 1
274 . 2 . 2 11 11 DA H2' H 1 2.561 0.001 . 1 . . 360 . B 35 DA H2' . 34863 1
275 . 2 . 2 11 11 DA H2'' H 1 2.804 0.003 . 1 . . 361 . B 35 DA H2'' . 34863 1
276 . 2 . 2 11 11 DA H3' H 1 4.951 0.003 . 1 . . 447 . B 35 DA H3' . 34863 1
277 . 2 . 2 11 11 DA H8 H 1 7.998 0.001 . 1 . . 234 . B 35 DA H8 . 34863 1
278 . 2 . 2 11 11 DA C2 C 13 154.588 0.001 . 1 . . 501 . B 35 DA C2 . 34863 1
279 . 2 . 2 11 11 DA C8 C 13 140.981 0.001 . 1 . . 405 . B 35 DA C8 . 34863 1
280 . 2 . 2 12 12 DG H1' H 1 5.771 0.003 . 1 . . 365 . B 36 DG H1' . 34863 1
281 . 2 . 2 12 12 DG H2' H 1 2.296 0.003 . 1 . . 372 . B 36 DG H2' . 34863 1
282 . 2 . 2 12 12 DG H2'' H 1 2.403 0.004 . 1 . . 373 . B 36 DG H2'' . 34863 1
283 . 2 . 2 12 12 DG H3' H 1 4.856 0.002 . 1 . . 448 . B 36 DG H3' . 34863 1
284 . 2 . 2 12 12 DG H8 H 1 7.502 0.002 . 1 . . 362 . B 36 DG H8 . 34863 1
285 . 2 . 2 12 12 DG C8 C 13 137.595 0.004 . 1 . . 424 . B 36 DG C8 . 34863 1
286 . 2 . 2 13 13 DT H1' H 1 6.074 0.002 . 1 . . 367 . B 37 DT H1' . 34863 1
287 . 2 . 2 13 13 DT H2' H 1 2.098 0.002 . 1 . . 369 . B 37 DT H2' . 34863 1
288 . 2 . 2 13 13 DT H2'' H 1 2.375 0.003 . 1 . . 370 . B 37 DT H2'' . 34863 1
289 . 2 . 2 13 13 DT H3' H 1 4.723 0.001 . 1 . . 449 . B 37 DT H3' . 34863 1
290 . 2 . 2 13 13 DT H6 H 1 7.407 0.002 . 1 . . 366 . B 37 DT H6 . 34863 1
291 . 2 . 2 13 13 DT H71 H 1 1.601 0.002 . 1 . . 368 . B 37 DT H71 . 34863 1
292 . 2 . 2 13 13 DT H72 H 1 1.601 0.002 . 1 . . 368 . B 37 DT H72 . 34863 1
293 . 2 . 2 13 13 DT H73 H 1 1.601 0.002 . 1 . . 368 . B 37 DT H73 . 34863 1
294 . 2 . 2 13 13 DT C6 C 13 139.179 0.007 . 1 . . 435 . B 37 DT C6 . 34863 1
295 . 2 . 2 14 14 DT H1' H 1 6.051 0.003 . 1 . . 397 . B 38 DT H1' . 34863 1
296 . 2 . 2 14 14 DT H2' H 1 2.136 0.001 . 1 . . 398 . B 38 DT H2' . 34863 1
297 . 2 . 2 14 14 DT H2'' H 1 2.137 0.002 . 1 . . 399 . B 38 DT H2'' . 34863 1
298 . 2 . 2 14 14 DT H3' H 1 4.410 0.003 . 1 . . 450 . B 38 DT H3' . 34863 1
299 . 2 . 2 14 14 DT H6 H 1 7.473 0.003 . 1 . . 400 . B 38 DT H6 . 34863 1
300 . 2 . 2 14 14 DT H71 H 1 1.664 0.001 . 1 . . 401 . B 38 DT H71 . 34863 1
301 . 2 . 2 14 14 DT H72 H 1 1.664 0.001 . 1 . . 401 . B 38 DT H72 . 34863 1
302 . 2 . 2 14 14 DT H73 H 1 1.664 0.001 . 1 . . 401 . B 38 DT H73 . 34863 1
303 . 2 . 2 14 14 DT C6 C 13 139.753 0.01 . 1 . . 433 . B 38 DT C6 . 34863 1
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