###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 34740
_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' . . . 34740 1
2 '2D 1H-1H COSY' . . . 34740 1
3 '2D 1H-13C HSQC' . . . 34740 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 THM H1' H 1 5.623 0.004 . 1 . . 961 . A 1 THM H1' . 34740 1
2 . 1 . 1 1 1 THM H2' H 1 1.954 0.002 . 1 . . 1315 . A 1 THM H2' . 34740 1
3 . 1 . 1 1 1 THM H2'' H 1 2.139 0.003 . 1 . . 1316 . A 1 THM H2'' . 34740 1
4 . 1 . 1 1 1 THM H3' H 1 4.326 0.003 . 1 . . 1378 . A 1 THM H3' . 34740 1
5 . 1 . 1 1 1 THM H6 H 1 7.330 0.002 . 1 . . 1239 . A 1 THM H6 . 34740 1
6 . 1 . 1 1 1 THM H71 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H71 . 34740 1
7 . 1 . 1 1 1 THM H72 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H72 . 34740 1
8 . 1 . 1 1 1 THM H73 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H73 . 34740 1
9 . 1 . 1 1 1 THM C6 C 13 139.428 . . 1 . . 1432 . A 1 THM C6 . 34740 1
10 . 1 . 1 2 2 DT H1' H 1 5.628 0.007 . 1 . . 1232 . A 2 DT H1' . 34740 1
11 . 1 . 1 2 2 DT H2' H 1 1.579 0.003 . 1 . . 1236 . A 2 DT H2' . 34740 1
12 . 1 . 1 2 2 DT H2'' H 1 2.012 0.005 . 1 . . 1235 . A 2 DT H2'' . 34740 1
13 . 1 . 1 2 2 DT H3' H 1 4.439 0.001 . 1 . . 1380 . A 2 DT H3' . 34740 1
14 . 1 . 1 2 2 DT H6 H 1 7.107 0.002 . 1 . . 1237 . A 2 DT H6 . 34740 1
15 . 1 . 1 2 2 DT H71 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H71 . 34740 1
16 . 1 . 1 2 2 DT H72 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H72 . 34740 1
17 . 1 . 1 2 2 DT H73 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H73 . 34740 1
18 . 1 . 1 2 2 DT C6 C 13 139.351 . . 1 . . 1429 . A 2 DT C6 . 34740 1
19 . 1 . 1 3 3 DA H1' H 1 5.677 0.006 . 1 . . 1231 . A 3 DA H1' . 34740 1
20 . 1 . 1 3 3 DA H2 H 1 7.795 0.003 . 1 . . 1376 . A 3 DA H2 . 34740 1
21 . 1 . 1 3 3 DA H2' H 1 2.537 0.003 . 1 . . 1233 . A 3 DA H2' . 34740 1
22 . 1 . 1 3 3 DA H2'' H 1 2.579 0.004 . 1 . . 1234 . A 3 DA H2'' . 34740 1
23 . 1 . 1 3 3 DA H3' H 1 4.773 0.004 . 1 . . 1379 . A 3 DA H3' . 34740 1
24 . 1 . 1 3 3 DA H8 H 1 7.956 0.002 . 1 . . 1229 . A 3 DA H8 . 34740 1
25 . 1 . 1 3 3 DA C8 C 13 142.541 . . 1 . . 1414 . A 3 DA C8 . 34740 1
26 . 1 . 1 4 4 DG H1 H 1 11.240 0.003 . 1 . . 1202 . A 4 DG H1 . 34740 1
27 . 1 . 1 4 4 DG H1' H 1 5.988 0.004 . 1 . . 1240 . A 4 DG H1' . 34740 1
28 . 1 . 1 4 4 DG H2' H 1 2.488 0.01 . 1 . . 1319 . A 4 DG H2' . 34740 1
29 . 1 . 1 4 4 DG H2'' H 1 2.869 0.005 . 1 . . 1318 . A 4 DG H2'' . 34740 1
30 . 1 . 1 4 4 DG H3' H 1 4.875 0.002 . 1 . . 1383 . A 4 DG H3' . 34740 1
31 . 1 . 1 4 4 DG H8 H 1 7.847 0.002 . 1 . . 1226 . A 4 DG H8 . 34740 1
32 . 1 . 1 4 4 DG C8 C 13 137.874 . . 1 . . 1436 . A 4 DG C8 . 34740 1
33 . 1 . 1 5 5 DG H1 H 1 11.158 0.001 . 1 . . 1203 . A 5 DG H1 . 34740 1
34 . 1 . 1 5 5 DG H1' H 1 5.982 0.004 . 1 . . 1268 . A 5 DG H1' . 34740 1
35 . 1 . 1 5 5 DG H2' H 1 2.451 0.002 . 1 . . 1275 . A 5 DG H2' . 34740 1
36 . 1 . 1 5 5 DG H2'' H 1 2.365 0.005 . 1 . . 1276 . A 5 DG H2'' . 34740 1
37 . 1 . 1 5 5 DG H3' H 1 4.966 0.003 . 1 . . 1381 . A 5 DG H3' . 34740 1
38 . 1 . 1 5 5 DG H8 H 1 7.355 0.002 . 1 . . 1223 . A 5 DG H8 . 34740 1
39 . 1 . 1 5 5 DG C8 C 13 137.601 . . 1 . . 1433 . A 5 DG C8 . 34740 1
40 . 1 . 1 6 6 DT H1' H 1 6.395 0.003 . 1 . . 1332 . A 6 DT H1' . 34740 1
41 . 1 . 1 6 6 DT H2' H 1 2.404 0.003 . 1 . . 1337 . A 6 DT H2' . 34740 1
42 . 1 . 1 6 6 DT H2'' H 1 2.607 0.001 . 1 . . 1338 . A 6 DT H2'' . 34740 1
43 . 1 . 1 6 6 DT H3' H 1 4.977 0.001 . 1 . . 1384 . A 6 DT H3' . 34740 1
44 . 1 . 1 6 6 DT H6 H 1 7.808 0.001 . 1 . . 1331 . A 6 DT H6 . 34740 1
45 . 1 . 1 6 6 DT H71 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H71 . 34740 1
46 . 1 . 1 6 6 DT H72 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H72 . 34740 1
47 . 1 . 1 6 6 DT H73 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H73 . 34740 1
48 . 1 . 1 6 6 DT C6 C 13 140.208 . . 1 . . 1417 . A 6 DT C6 . 34740 1
49 . 1 . 1 7 7 DG H1 H 1 11.502 0.001 . 1 . . 1199 . A 7 DG H1 . 34740 1
50 . 1 . 1 7 7 DG H1' H 1 6.010 0.003 . 1 . . 1201 . A 7 DG H1' . 34740 1
51 . 1 . 1 7 7 DG H2' H 1 2.619 0.005 . 1 . . 1214 . A 7 DG H2' . 34740 1
52 . 1 . 1 7 7 DG H2'' H 1 2.828 0.003 . 1 . . 1213 . A 7 DG H2'' . 34740 1
53 . 1 . 1 7 7 DG H3' H 1 4.856 0.001 . 1 . . 1210 . A 7 DG H3' . 34740 1
54 . 1 . 1 7 7 DG H8 H 1 8.091 0.002 . 1 . . 1200 . A 7 DG H8 . 34740 1
55 . 1 . 1 7 7 DG C8 C 13 138.524 . . 1 . . 1415 . A 7 DG C8 . 34740 1
56 . 1 . 1 8 8 DG H1 H 1 11.100 0.003 . 1 . . 1206 . A 8 DG H1 . 34740 1
57 . 1 . 1 8 8 DG H1' H 1 6.052 0.003 . 1 . . 1211 . A 8 DG H1' . 34740 1
58 . 1 . 1 8 8 DG H2' H 1 2.590 0.01 . 1 . . 1342 . A 8 DG H2' . 34740 1
59 . 1 . 1 8 8 DG H2'' H 1 2.842 0.009 . 1 . . 1341 . A 8 DG H2'' . 34740 1
60 . 1 . 1 8 8 DG H3' H 1 5.008 0.002 . 1 . . 1212 . A 8 DG H3' . 34740 1
61 . 1 . 1 8 8 DG H8 H 1 7.718 0.002 . 1 . . 1204 . A 8 DG H8 . 34740 1
62 . 1 . 1 8 8 DG C8 C 13 138.041 . . 1 . . 1441 . A 8 DG C8 . 34740 1
63 . 1 . 1 9 9 DG H1 H 1 10.741 0.002 . 1 . . 1245 . A 9 DG H1 . 34740 1
64 . 1 . 1 9 9 DG H1' H 1 6.105 0.003 . 1 . . 1357 . A 9 DG H1' . 34740 1
65 . 1 . 1 9 9 DG H2' H 1 2.823 0.004 . 1 . . 1359 . A 9 DG H2' . 34740 1
66 . 1 . 1 9 9 DG H2'' H 1 2.787 0.007 . 1 . . 1358 . A 9 DG H2'' . 34740 1
67 . 1 . 1 9 9 DG H3' H 1 5.100 0.001 . 1 . . 1386 . A 9 DG H3' . 34740 1
68 . 1 . 1 9 9 DG H8 H 1 7.680 0.001 . 1 . . 1377 . A 9 DG H8 . 34740 1
69 . 1 . 1 9 9 DG C8 C 13 137.768 . . 1 . . 1440 . A 9 DG C8 . 34740 1
70 . 1 . 1 10 10 DT H1' H 1 6.268 0.002 . 1 . . 1325 . A 10 DT H1' . 34740 1
71 . 1 . 1 10 10 DT H2' H 1 2.273 0.003 . 1 . . 1323 . A 10 DT H2' . 34740 1
72 . 1 . 1 10 10 DT H2'' H 1 2.478 0.004 . 1 . . 1324 . A 10 DT H2'' . 34740 1
73 . 1 . 1 10 10 DT H3' H 1 4.765 0.001 . 1 . . 1344 . A 10 DT H3' . 34740 1
74 . 1 . 1 10 10 DT H6 H 1 7.703 0.005 . 1 . . 1326 . A 10 DT H6 . 34740 1
75 . 1 . 1 10 10 DT H71 H 1 1.976 . . 1 . . 1322 . A 10 DT H71 . 34740 1
76 . 1 . 1 10 10 DT H72 H 1 1.976 . . 1 . . 1322 . A 10 DT H72 . 34740 1
77 . 1 . 1 10 10 DT H73 H 1 1.976 . . 1 . . 1322 . A 10 DT H73 . 34740 1
78 . 1 . 1 10 10 DT C6 C 13 140.171 . . 1 . . 1418 . A 10 DT C6 . 34740 1
79 . 1 . 1 11 11 DA H1' H 1 6.617 0.005 . 1 . . 1196 . A 11 DA H1' . 34740 1
80 . 1 . 1 11 11 DA H2 H 1 8.371 0.005 . 1 . . 1445 . A 11 DA H2 . 34740 1
81 . 1 . 1 11 11 DA H2' H 1 2.985 0.001 . 1 . . 1321 . A 11 DA H2' . 34740 1
82 . 1 . 1 11 11 DA H2'' H 1 2.897 0.003 . 1 . . 1320 . A 11 DA H2'' . 34740 1
83 . 1 . 1 11 11 DA H3' H 1 5.070 0.002 . 1 . . 1243 . A 11 DA H3' . 34740 1
84 . 1 . 1 11 11 DA H8 H 1 8.559 0.004 . 1 . . 1195 . A 11 DA H8 . 34740 1
85 . 1 . 1 11 11 DA C2 C 13 154.373 . . 1 . . 1446 . A 11 DA C2 . 34740 1
86 . 1 . 1 11 11 DA C8 C 13 143.504 . . 1 . . 1410 . A 11 DA C8 . 34740 1
87 . 1 . 1 12 12 DG H1 H 1 11.658 0.005 . 1 . . 1208 . A 12 DG H1 . 34740 1
88 . 1 . 1 12 12 DG H1' H 1 6.049 0.003 . 1 . . 1218 . A 12 DG H1' . 34740 1
89 . 1 . 1 12 12 DG H2' H 1 2.549 0.003 . 1 . . 1327 . A 12 DG H2' . 34740 1
90 . 1 . 1 12 12 DG H2'' H 1 2.854 0.002 . 1 . . 1328 . A 12 DG H2'' . 34740 1
91 . 1 . 1 12 12 DG H3' H 1 4.901 0.004 . 1 . . 1242 . A 12 DG H3' . 34740 1
92 . 1 . 1 12 12 DG H8 H 1 7.924 0.001 . 1 . . 1198 . A 12 DG H8 . 34740 1
93 . 1 . 1 12 12 DG C8 C 13 138.269 . . 1 . . 1435 . A 12 DG C8 . 34740 1
94 . 1 . 1 13 13 DG H1 H 1 11.079 0.002 . 1 . . 1209 . A 13 DG H1 . 34740 1
95 . 1 . 1 13 13 DG H1' H 1 6.121 0.004 . 1 . . 1221 . A 13 DG H1' . 34740 1
96 . 1 . 1 13 13 DG H2' H 1 2.546 0.004 . 1 . . 2502 . A 13 DG H2' . 34740 1
97 . 1 . 1 13 13 DG H2'' H 1 2.910 0.004 . 1 . . 1330 . A 13 DG H2'' . 34740 1
98 . 1 . 1 13 13 DG H3' H 1 4.998 0.002 . 1 . . 1387 . A 13 DG H3' . 34740 1
99 . 1 . 1 13 13 DG H8 H 1 7.662 0.003 . 1 . . 1219 . A 13 DG H8 . 34740 1
100 . 1 . 1 13 13 DG C8 C 13 138.011 . . 1 . . 2506 . A 13 DG C8 . 34740 1
101 . 1 . 1 14 14 DG H1 H 1 10.459 0.002 . 1 . . 1246 . A 14 DG H1 . 34740 1
102 . 1 . 1 14 14 DG H1' H 1 6.101 0.002 . 1 . . 2501 . A 14 DG H1' . 34740 1
103 . 1 . 1 14 14 DG H2' H 1 2.815 0.004 . 1 . . 2500 . A 14 DG H2' . 34740 1
104 . 1 . 1 14 14 DG H2'' H 1 2.758 0.004 . 1 . . 2499 . A 14 DG H2'' . 34740 1
105 . 1 . 1 14 14 DG H3' H 1 5.215 0.001 . 1 . . 2498 . A 14 DG H3' . 34740 1
106 . 1 . 1 14 14 DG H8 H 1 7.668 0.003 . 1 . . 1217 . A 14 DG H8 . 34740 1
107 . 1 . 1 14 14 DG C8 C 13 138.006 . . 1 . . 2505 . A 14 DG C8 . 34740 1
108 . 1 . 1 15 15 DT H1' H 1 6.478 0.002 . 1 . . 1334 . A 15 DT H1' . 34740 1
109 . 1 . 1 15 15 DT H2' H 1 2.471 0.003 . 1 . . 1339 . A 15 DT H2' . 34740 1
110 . 1 . 1 15 15 DT H2'' H 1 2.638 0.002 . 1 . . 1340 . A 15 DT H2'' . 34740 1
111 . 1 . 1 15 15 DT H3' H 1 5.034 0.002 . 1 . . 1385 . A 15 DT H3' . 34740 1
112 . 1 . 1 15 15 DT H6 H 1 7.843 0.001 . 1 . . 1333 . A 15 DT H6 . 34740 1
113 . 1 . 1 15 15 DT H71 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H71 . 34740 1
114 . 1 . 1 15 15 DT H72 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H72 . 34740 1
115 . 1 . 1 15 15 DT H73 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H73 . 34740 1
116 . 1 . 1 15 15 DT C6 C 13 139.937 . . 1 . . 1416 . A 15 DT C6 . 34740 1
117 . 1 . 1 16 16 DG H1 H 1 11.083 0.003 . 1 . . 1230 . A 16 DG H1 . 34740 1
118 . 1 . 1 16 16 DG H1' H 1 5.953 0.004 . 1 . . 1244 . A 16 DG H1' . 34740 1
119 . 1 . 1 16 16 DG H2' H 1 2.322 0.004 . 1 . . 2495 . A 16 DG H2' . 34740 1
120 . 1 . 1 16 16 DG H2'' H 1 2.729 0.004 . 1 . . 1350 . A 16 DG H2'' . 34740 1
121 . 1 . 1 16 16 DG H3' H 1 4.959 0.004 . 1 . . 1389 . A 16 DG H3' . 34740 1
122 . 1 . 1 16 16 DG H8 H 1 7.786 0.002 . 1 . . 1207 . A 16 DG H8 . 34740 1
123 . 1 . 1 16 16 DG C8 C 13 137.803 . . 1 . . 1438 . A 16 DG C8 . 34740 1
124 . 1 . 1 17 17 DG H1 H 1 11.000 0.003 . 1 . . 1225 . A 17 DG H1 . 34740 1
125 . 1 . 1 17 17 DG H1' H 1 5.963 0.002 . 1 . . 1249 . A 17 DG H1' . 34740 1
126 . 1 . 1 17 17 DG H2' H 1 2.566 0.003 . 1 . . 1355 . A 17 DG H2' . 34740 1
127 . 1 . 1 17 17 DG H2'' H 1 2.848 0.001 . 1 . . 2504 . A 17 DG H2'' . 34740 1
128 . 1 . 1 17 17 DG H3' H 1 5.055 0.001 . 1 . . 1390 . A 17 DG H3' . 34740 1
129 . 1 . 1 17 17 DG H8 H 1 7.656 0.001 . 1 . . 1247 . A 17 DG H8 . 34740 1
130 . 1 . 1 17 17 DG C8 C 13 138.023 0.018 . 1 . . 2471 . A 17 DG C8 . 34740 1
131 . 1 . 1 18 18 DG H1 H 1 10.406 0.001 . 1 . . 1266 . A 18 DG H1 . 34740 1
132 . 1 . 1 18 18 DG H1' H 1 5.936 0.002 . 1 . . 2497 . A 18 DG H1' . 34740 1
133 . 1 . 1 18 18 DG H2' H 1 2.850 0.001 . 1 . . 1353 . A 18 DG H2' . 34740 1
134 . 1 . 1 18 18 DG H2'' H 1 2.796 0.003 . 1 . . 1352 . A 18 DG H2'' . 34740 1
135 . 1 . 1 18 18 DG H3' H 1 5.191 0.002 . 1 . . 2496 . A 18 DG H3' . 34740 1
136 . 1 . 1 18 18 DG H8 H 1 7.772 0.002 . 1 . . 1248 . A 18 DG H8 . 34740 1
137 . 1 . 1 18 18 DG C8 C 13 138.128 0.015 . 1 . . 2503 . A 18 DG C8 . 34740 1
138 . 1 . 1 19 19 DC H1' H 1 5.709 0.004 . 1 . . 1191 . A 19 DC H1' . 34740 1
139 . 1 . 1 19 19 DC H2' H 1 2.203 0.003 . 1 . . 1452 . A 19 DC H2' . 34740 1
140 . 1 . 1 19 19 DC H2'' H 1 2.247 0.003 . 1 . . 1453 . A 19 DC H2'' . 34740 1
141 . 1 . 1 19 19 DC H3' H 1 4.798 0.002 . 1 . . 1392 . A 19 DC H3' . 34740 1
142 . 1 . 1 19 19 DC H5 H 1 5.582 0.002 . 1 . . 1178 . A 19 DC H5 . 34740 1
143 . 1 . 1 19 19 DC H6 H 1 7.618 0.001 . 1 . . 1177 . A 19 DC H6 . 34740 1
144 . 1 . 1 19 19 DC H41 H 1 6.493 0.003 . 1 . . 1360 . A 19 DC H41 . 34740 1
145 . 1 . 1 19 19 DC H42 H 1 7.289 0.002 . 1 . . 1366 . A 19 DC H42 . 34740 1
146 . 1 . 1 19 19 DC C6 C 13 143.242 . . 1 . . 1419 . A 19 DC C6 . 34740 1
147 . 1 . 1 20 20 DT H1' H 1 5.312 0.004 . 1 . . 1188 . A 20 DT H1' . 34740 1
148 . 1 . 1 20 20 DT H2' H 1 2.026 0.002 . 1 . . 1284 . A 20 DT H2' . 34740 1
149 . 1 . 1 20 20 DT H2'' H 1 2.254 0.001 . 1 . . 1285 . A 20 DT H2'' . 34740 1
150 . 1 . 1 20 20 DT H3 H 1 13.252 0.003 . 1 . . 1375 . A 20 DT H3 . 34740 1
151 . 1 . 1 20 20 DT H3' H 1 4.798 0.001 . 1 . . 1393 . A 20 DT H3' . 34740 1
152 . 1 . 1 20 20 DT H6 H 1 7.214 0.002 . 1 . . 1189 . A 20 DT H6 . 34740 1
153 . 1 . 1 20 20 DT H71 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H71 . 34740 1
154 . 1 . 1 20 20 DT H72 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H72 . 34740 1
155 . 1 . 1 20 20 DT H73 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H73 . 34740 1
156 . 1 . 1 20 20 DT C6 C 13 139.458 . . 1 . . 1431 . A 20 DT C6 . 34740 1
157 . 1 . 1 21 21 DA H1' H 1 5.942 0.004 . 1 . . 1187 . A 21 DA H1' . 34740 1
158 . 1 . 1 21 21 DA H2 H 1 7.139 0.002 . 1 . . 1372 . A 21 DA H2 . 34740 1
159 . 1 . 1 21 21 DA H2' H 1 2.739 0.004 . 1 . . 1286 . A 21 DA H2' . 34740 1
160 . 1 . 1 21 21 DA H2'' H 1 2.822 0.005 . 1 . . 1287 . A 21 DA H2'' . 34740 1
161 . 1 . 1 21 21 DA H3' H 1 4.977 0.001 . 1 . . 1394 . A 21 DA H3' . 34740 1
162 . 1 . 1 21 21 DA H8 H 1 8.159 0.002 . 1 . . 1186 . A 21 DA H8 . 34740 1
163 . 1 . 1 21 21 DA C2 C 13 153.841 . . 1 . . 1448 . A 21 DA C2 . 34740 1
164 . 1 . 1 21 21 DA C8 C 13 141.809 . . 1 . . 1411 . A 21 DA C8 . 34740 1
165 . 1 . 1 22 22 DG H1 H 1 12.938 0.004 . 1 . . 1368 . A 22 DG H1 . 34740 1
166 . 1 . 1 22 22 DG H1' H 1 5.694 0.004 . 1 . . 1194 . A 22 DG H1' . 34740 1
167 . 1 . 1 22 22 DG H2' H 1 2.361 0.004 . 1 . . 1293 . A 22 DG H2' . 34740 1
168 . 1 . 1 22 22 DG H2'' H 1 2.581 0.002 . 1 . . 1399 . A 22 DG H2'' . 34740 1
169 . 1 . 1 22 22 DG H3' H 1 4.750 0.001 . 1 . . 1397 . A 22 DG H3' . 34740 1
170 . 1 . 1 22 22 DG H8 H 1 7.495 0.001 . 1 . . 1398 . A 22 DG H8 . 34740 1
171 . 1 . 1 22 22 DG C8 C 13 137.115 . . 1 . . 1434 . A 22 DG C8 . 34740 1
172 . 1 . 1 23 23 DT H1' H 1 5.826 0.003 . 1 . . 1193 . A 23 DT H1' . 34740 1
173 . 1 . 1 23 23 DT H2' H 1 1.906 0.002 . 1 . . 1292 . A 23 DT H2' . 34740 1
174 . 1 . 1 23 23 DT H2'' H 1 2.312 0.002 . 1 . . 1291 . A 23 DT H2'' . 34740 1
175 . 1 . 1 23 23 DT H3 H 1 13.524 0.002 . 1 . . 1371 . A 23 DT H3 . 34740 1
176 . 1 . 1 23 23 DT H3' H 1 4.695 0.0 . 1 . . 1396 . A 23 DT H3' . 34740 1
177 . 1 . 1 23 23 DT H6 H 1 7.091 0.002 . 1 . . 1176 . A 23 DT H6 . 34740 1
178 . 1 . 1 23 23 DT H71 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H71 . 34740 1
179 . 1 . 1 23 23 DT H72 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H72 . 34740 1
180 . 1 . 1 23 23 DT H73 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H73 . 34740 1
181 . 1 . 1 23 23 DT C6 C 13 139.041 . . 1 . . 1430 . A 23 DT C6 . 34740 1
182 . 1 . 1 24 24 DC H1' H 1 5.576 0.005 . 1 . . 1179 . A 24 DC H1' . 34740 1
183 . 1 . 1 24 24 DC H2' H 1 1.707 0.002 . 1 . . 1288 . A 24 DC H2' . 34740 1
184 . 1 . 1 24 24 DC H2'' H 1 2.176 0.002 . 1 . . 1290 . A 24 DC H2'' . 34740 1
185 . 1 . 1 24 24 DC H3' H 1 4.697 0.003 . 1 . . 1395 . A 24 DC H3' . 34740 1
186 . 1 . 1 24 24 DC H5 H 1 5.565 0.002 . 1 . . 1175 . A 24 DC H5 . 34740 1
187 . 1 . 1 24 24 DC H6 H 1 7.284 0.003 . 1 . . 1174 . A 24 DC H6 . 34740 1
188 . 1 . 1 24 24 DC H41 H 1 6.889 0.002 . 1 . . 1364 . A 24 DC H41 . 34740 1
189 . 1 . 1 24 24 DC H42 H 1 8.454 0.001 . 1 . . 1365 . A 24 DC H42 . 34740 1
190 . 1 . 1 24 24 DC C6 C 13 143.552 . . 1 . . 1420 . A 24 DC C6 . 34740 1
191 . 1 . 1 25 25 DA H1' H 1 6.140 0.002 . 1 . . 1181 . A 25 DA H1' . 34740 1
192 . 1 . 1 25 25 DA H2 H 1 7.862 0.001 . 1 . . 1451 . A 25 DA H2 . 34740 1
193 . 1 . 1 25 25 DA H2' H 1 2.665 0.001 . 1 . . 1295 . A 25 DA H2' . 34740 1
194 . 1 . 1 25 25 DA H2'' H 1 2.507 0.002 . 1 . . 1294 . A 25 DA H2'' . 34740 1
195 . 1 . 1 25 25 DA H3' H 1 4.927 0.003 . 1 . . 1400 . A 25 DA H3' . 34740 1
196 . 1 . 1 25 25 DA H8 H 1 8.131 0.002 . 1 . . 1180 . A 25 DA H8 . 34740 1
197 . 1 . 1 25 25 DA C2 C 13 154.893 . . 1 . . 1450 . A 25 DA C2 . 34740 1
198 . 1 . 1 25 25 DA C8 C 13 142.205 . . 1 . . 1412 . A 25 DA C8 . 34740 1
199 . 1 . 1 26 26 DT H1' H 1 5.986 0.003 . 1 . . 1183 . A 26 DT H1' . 34740 1
200 . 1 . 1 26 26 DT H2' H 1 2.033 0.003 . 1 . . 1280 . A 26 DT H2' . 34740 1
201 . 1 . 1 26 26 DT H2'' H 1 2.292 0.002 . 1 . . 1296 . A 26 DT H2'' . 34740 1
202 . 1 . 1 26 26 DT H3' H 1 4.967 0.002 . 1 . . 1401 . A 26 DT H3' . 34740 1
203 . 1 . 1 26 26 DT H6 H 1 7.494 0.002 . 1 . . 1182 . A 26 DT H6 . 34740 1
204 . 1 . 1 26 26 DT H71 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H71 . 34740 1
205 . 1 . 1 26 26 DT H72 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H72 . 34740 1
206 . 1 . 1 26 26 DT H73 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H73 . 34740 1
207 . 1 . 1 26 26 DT C6 C 13 139.358 . . 1 . . 1421 . A 26 DT C6 . 34740 1
208 . 1 . 1 27 27 DT H1' H 1 5.712 0.003 . 1 . . 1185 . A 27 DT H1' . 34740 1
209 . 1 . 1 27 27 DT H2' H 1 1.913 0.004 . 1 . . 1281 . A 27 DT H2' . 34740 1
210 . 1 . 1 27 27 DT H2'' H 1 2.165 0.001 . 1 . . 1297 . A 27 DT H2'' . 34740 1
211 . 1 . 1 27 27 DT H3' H 1 4.577 0.002 . 1 . . 1405 . A 27 DT H3' . 34740 1
212 . 1 . 1 27 27 DT H6 H 1 7.307 0.002 . 1 . . 1184 . A 27 DT H6 . 34740 1
213 . 1 . 1 27 27 DT H71 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H71 . 34740 1
214 . 1 . 1 27 27 DT H72 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H72 . 34740 1
215 . 1 . 1 27 27 DT H73 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H73 . 34740 1
216 . 1 . 1 27 27 DT C6 C 13 139.416 . . 1 . . 1424 . A 27 DT C6 . 34740 1
217 . 1 . 1 28 28 DT H1' H 1 5.945 0.003 . 1 . . 1257 . A 28 DT H1' . 34740 1
218 . 1 . 1 28 28 DT H2' H 1 2.135 0.002 . 1 . . 1298 . A 28 DT H2' . 34740 1
219 . 1 . 1 28 28 DT H2'' H 1 2.346 0.002 . 1 . . 1299 . A 28 DT H2'' . 34740 1
220 . 1 . 1 28 28 DT H3' H 1 4.671 . . 1 . . 1402 . A 28 DT H3' . 34740 1
221 . 1 . 1 28 28 DT H6 H 1 7.372 0.001 . 1 . . 1258 . A 28 DT H6 . 34740 1
222 . 1 . 1 28 28 DT H71 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H71 . 34740 1
223 . 1 . 1 28 28 DT H72 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H72 . 34740 1
224 . 1 . 1 28 28 DT H73 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H73 . 34740 1
225 . 1 . 1 28 28 DT C6 C 13 139.565 . . 1 . . 1422 . A 28 DT C6 . 34740 1
226 . 1 . 1 29 29 DT H1' H 1 5.699 0.004 . 1 . . 1255 . A 29 DT H1' . 34740 1
227 . 1 . 1 29 29 DT H2' H 1 2.051 0.005 . 1 . . 1300 . A 29 DT H2' . 34740 1
228 . 1 . 1 29 29 DT H2'' H 1 2.365 0.004 . 1 . . 1301 . A 29 DT H2'' . 34740 1
229 . 1 . 1 29 29 DT H3' H 1 4.657 0.004 . 1 . . 1403 . A 29 DT H3' . 34740 1
230 . 1 . 1 29 29 DT H6 H 1 7.333 0.001 . 1 . . 1256 . A 29 DT H6 . 34740 1
231 . 1 . 1 29 29 DT H71 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H71 . 34740 1
232 . 1 . 1 29 29 DT H72 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H72 . 34740 1
233 . 1 . 1 29 29 DT H73 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H73 . 34740 1
234 . 1 . 1 29 29 DT C6 C 13 139.479 . . 1 . . 1423 . A 29 DT C6 . 34740 1
235 . 1 . 1 30 30 DG H1 H 1 12.553 0.007 . 1 . . 1369 . A 30 DG H1 . 34740 1
236 . 1 . 1 30 30 DG H1' H 1 5.504 0.001 . 1 . . 1253 . A 30 DG H1' . 34740 1
237 . 1 . 1 30 30 DG H2' H 1 2.614 0.006 . 1 . . 1302 . A 30 DG H2' . 34740 1
238 . 1 . 1 30 30 DG H2'' H 1 2.701 0.002 . 1 . . 1303 . A 30 DG H2'' . 34740 1
239 . 1 . 1 30 30 DG H3' H 1 4.909 0.001 . 1 . . 1406 . A 30 DG H3' . 34740 1
240 . 1 . 1 30 30 DG H8 H 1 7.871 0.001 . 1 . . 1254 . A 30 DG H8 . 34740 1
241 . 1 . 1 30 30 DG C8 C 13 138.374 . . 1 . . 1443 . A 30 DG C8 . 34740 1
242 . 1 . 1 31 31 DA H1' H 1 6.145 0.003 . 1 . . 1251 . A 31 DA H1' . 34740 1
243 . 1 . 1 31 31 DA H2 H 1 7.722 0.002 . 1 . . 1370 . A 31 DA H2 . 34740 1
244 . 1 . 1 31 31 DA H2' H 1 2.591 0.003 . 1 . . 1305 . A 31 DA H2' . 34740 1
245 . 1 . 1 31 31 DA H2'' H 1 2.774 0.002 . 1 . . 1304 . A 31 DA H2'' . 34740 1
246 . 1 . 1 31 31 DA H3' H 1 4.925 0.001 . 1 . . 1409 . A 31 DA H3' . 34740 1
247 . 1 . 1 31 31 DA H8 H 1 8.119 0.003 . 1 . . 1252 . A 31 DA H8 . 34740 1
248 . 1 . 1 31 31 DA C2 C 13 155.026 . . 1 . . 1447 . A 31 DA C2 . 34740 1
249 . 1 . 1 31 31 DA C8 C 13 142.161 . . 1 . . 1413 . A 31 DA C8 . 34740 1
250 . 1 . 1 32 32 DC H1' H 1 5.616 0.003 . 1 . . 1261 . A 32 DC H1' . 34740 1
251 . 1 . 1 32 32 DC H2' H 1 1.675 0.005 . 1 . . 1306 . A 32 DC H2' . 34740 1
252 . 1 . 1 32 32 DC H2'' H 1 2.176 0.003 . 1 . . 1307 . A 32 DC H2'' . 34740 1
253 . 1 . 1 32 32 DC H3' H 1 4.520 0.002 . 1 . . 1408 . A 32 DC H3' . 34740 1
254 . 1 . 1 32 32 DC H5 H 1 5.052 0.003 . 1 . . 1173 . A 32 DC H5 . 34740 1
255 . 1 . 1 32 32 DC H6 H 1 7.093 0.002 . 1 . . 1172 . A 32 DC H6 . 34740 1
256 . 1 . 1 32 32 DC H41 H 1 6.455 0.003 . 1 . . 1363 . A 32 DC H41 . 34740 1
257 . 1 . 1 32 32 DC H42 H 1 7.869 0.006 . 1 . . 1367 . A 32 DC H42 . 34740 1
258 . 1 . 1 32 32 DC C6 C 13 141.831 . . 1 . . 1428 . A 32 DC C6 . 34740 1
259 . 1 . 1 33 33 DT H1' H 1 5.093 0.003 . 1 . . 1260 . A 33 DT H1' . 34740 1
260 . 1 . 1 33 33 DT H2' H 1 1.662 0.003 . 1 . . 1309 . A 33 DT H2' . 34740 1
261 . 1 . 1 33 33 DT H2'' H 1 1.831 0.002 . 1 . . 1310 . A 33 DT H2'' . 34740 1
262 . 1 . 1 33 33 DT H3 H 1 13.456 0.002 . 1 . . 1374 . A 33 DT H3 . 34740 1
263 . 1 . 1 33 33 DT H3' H 1 4.494 0.008 . 1 . . 1407 . A 33 DT H3' . 34740 1
264 . 1 . 1 33 33 DT H6 H 1 7.007 0.003 . 1 . . 1259 . A 33 DT H6 . 34740 1
265 . 1 . 1 33 33 DT H71 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H71 . 34740 1
266 . 1 . 1 33 33 DT H72 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H72 . 34740 1
267 . 1 . 1 33 33 DT H73 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H73 . 34740 1
268 . 1 . 1 33 33 DT C6 C 13 139.446 . . 1 . . 1427 . A 33 DT C6 . 34740 1
269 . 1 . 1 34 34 DA H1' H 1 5.585 0.001 . 1 . . 1263 . A 34 DA H1' . 34740 1
270 . 1 . 1 34 34 DA H2 H 1 7.220 0.001 . 1 . . 1373 . A 34 DA H2 . 34740 1
271 . 1 . 1 34 34 DA H2' H 1 2.097 0.005 . 1 . . 1311 . A 34 DA H2' . 34740 1
272 . 1 . 1 34 34 DA H2'' H 1 2.297 0.002 . 1 . . 1312 . A 34 DA H2'' . 34740 1
273 . 1 . 1 34 34 DA H3' H 1 4.692 . . 1 . . 1272 . A 34 DA H3' . 34740 1
274 . 1 . 1 34 34 DA H8 H 1 7.514 0.002 . 1 . . 1262 . A 34 DA H8 . 34740 1
275 . 1 . 1 34 34 DA C2 C 13 153.926 . . 1 . . 1449 . A 34 DA C2 . 34740 1
276 . 1 . 1 34 34 DA C8 C 13 141.369 . . 1 . . 1444 . A 34 DA C8 . 34740 1
277 . 1 . 1 35 35 DG H1 H 1 10.937 . . 1 . . 2493 . A 35 DG H1 . 34740 1
278 . 1 . 1 35 35 DG H1' H 1 5.331 0.002 . 1 . . 1265 . A 35 DG H1' . 34740 1
279 . 1 . 1 35 35 DG H2' H 1 2.444 0.003 . 1 . . 1313 . A 35 DG H2' . 34740 1
280 . 1 . 1 35 35 DG H2'' H 1 2.795 0.001 . 1 . . 1314 . A 35 DG H2'' . 34740 1
281 . 1 . 1 35 35 DG H3' H 1 4.987 0.003 . 1 . . 1271 . A 35 DG H3' . 34740 1
282 . 1 . 1 35 35 DG H8 H 1 7.049 0.002 . 1 . . 1264 . A 35 DG H8 . 34740 1
283 . 1 . 1 35 35 DG C8 C 13 136.978 . . 1 . . 1426 . A 35 DG C8 . 34740 1
284 . 1 . 1 36 36 DG H1 H 1 10.699 0.002 . 1 . . 1205 . A 36 DG H1 . 34740 1
285 . 1 . 1 36 36 DG H1' H 1 6.129 0.003 . 1 . . 1216 . A 36 DG H1' . 34740 1
286 . 1 . 1 36 36 DG H2' H 1 3.250 0.003 . 1 . . 1273 . A 36 DG H2' . 34740 1
287 . 1 . 1 36 36 DG H2'' H 1 2.548 0.003 . 1 . . 1274 . A 36 DG H2'' . 34740 1
288 . 1 . 1 36 36 DG H3' H 1 5.002 0.001 . 1 . . 1382 . A 36 DG H3' . 34740 1
289 . 1 . 1 36 36 DG H8 H 1 6.872 0.001 . 1 . . 1267 . A 36 DG H8 . 34740 1
290 . 1 . 1 36 36 DG C8 C 13 140.615 . . 1 . . 1425 . A 36 DG C8 . 34740 1
stop_
save_