###################################
# 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 34664
_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-13C HSQC aromatic' . . . 34664 1
2 '2D 1H-1H NOESY' . . . 34664 1
3 '2D DQF-COSY' . . . 34664 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 5.681 0.002 . 1 . . 347 . A 1 THM H1' . 34664 1
2 . 1 . 1 1 1 THM H2'1 H 1 2.039 0.004 . 1 . . 343 . A 1 THM H2'1 . 34664 1
3 . 1 . 1 1 1 THM H2'2 H 1 2.217 0.005 . 1 . . 346 . A 1 THM H2'2 . 34664 1
4 . 1 . 1 1 1 THM H3' H 1 4.406 0.001 . 1 . . 345 . A 1 THM H3' . 34664 1
5 . 1 . 1 1 1 THM H6 H 1 7.398 0.003 . 1 . . 344 . A 1 THM H6 . 34664 1
6 . 1 . 1 1 1 THM H71 H 1 1.620 0.002 . 1 . . 433 . A 1 THM HM52 . 34664 1
7 . 1 . 1 1 1 THM H72 H 1 1.620 0.002 . 1 . . 433 . A 1 THM HM51 . 34664 1
8 . 1 . 1 1 1 THM H73 H 1 1.620 0.002 . 1 . . 433 . A 1 THM HM53 . 34664 1
9 . 1 . 1 1 1 THM C6 C 13 139.539 . . 1 . . 868 . A 1 THM C6 . 34664 1
10 . 1 . 1 2 2 DT H1' H 1 5.701 0.003 . 1 . . 287 . A 2 DT H1' . 34664 1
11 . 1 . 1 2 2 DT H2' H 1 1.568 0.004 . 1 . . 289 . A 2 DT H2' . 34664 1
12 . 1 . 1 2 2 DT H2'' H 1 2.070 0.005 . 1 . . 288 . A 2 DT H2'' . 34664 1
13 . 1 . 1 2 2 DT H3' H 1 4.513 0.001 . 1 . . 342 . A 2 DT H3' . 34664 1
14 . 1 . 1 2 2 DT H6 H 1 7.128 0.001 . 1 . . 290 . A 2 DT H6 . 34664 1
15 . 1 . 1 2 2 DT H71 H 1 1.504 0.003 . 1 . . 291 . A 2 DT H71 . 34664 1
16 . 1 . 1 2 2 DT H72 H 1 1.504 0.003 . 1 . . 291 . A 2 DT H72 . 34664 1
17 . 1 . 1 2 2 DT H73 H 1 1.504 0.003 . 1 . . 291 . A 2 DT H73 . 34664 1
18 . 1 . 1 2 2 DT C6 C 13 139.023 . . 1 . . 292 . A 2 DT C6 . 34664 1
19 . 1 . 1 3 3 DA H1' H 1 5.718 0.002 . 1 . . 281 . A 3 DA H1' . 34664 1
20 . 1 . 1 3 3 DA H2 H 1 7.833 0.001 . 1 . . 431 . A 3 DA H2 . 34664 1
21 . 1 . 1 3 3 DA H2' H 1 2.571 0.003 . 1 . . 286 . A 3 DA H2' . 34664 1
22 . 1 . 1 3 3 DA H2'' H 1 2.641 0.003 . 1 . . 285 . A 3 DA H2'' . 34664 1
23 . 1 . 1 3 3 DA H3' H 1 4.852 0.005 . 1 . . 348 . A 3 DA H3' . 34664 1
24 . 1 . 1 3 3 DA H8 H 1 8.024 0.001 . 1 . . 280 . A 3 DA H8 . 34664 1
25 . 1 . 1 3 3 DA C2 C 13 153.933 . . 1 . . 432 . A 3 DA C2 . 34664 1
26 . 1 . 1 3 3 DA C8 C 13 142.170 . . 1 . . 386 . A 3 DA C8 . 34664 1
27 . 1 . 1 4 4 DG H1 H 1 11.440 0.003 . 1 . . 428 . A 4 DG H1 . 34664 1
28 . 1 . 1 4 4 DG H1' H 1 6.028 0.003 . 1 . . 283 . A 4 DG H1' . 34664 1
29 . 1 . 1 4 4 DG H2' H 1 2.541 0.003 . 1 . . 335 . A 4 DG H2' . 34664 1
30 . 1 . 1 4 4 DG H2'' H 1 2.884 0.0 . 1 . . 336 . A 4 DG H2'' . 34664 1
31 . 1 . 1 4 4 DG H3' H 1 4.914 0.004 . 1 . . 341 . A 4 DG H3' . 34664 1
32 . 1 . 1 4 4 DG H8 H 1 7.903 0.002 . 1 . . 282 . A 4 DG H8 . 34664 1
33 . 1 . 1 4 4 DG C8 C 13 138.218 . . 1 . . 391 . A 4 DG C8 . 34664 1
34 . 1 . 1 5 5 DG H1 H 1 11.367 0.003 . 1 . . 423 . A 5 DG H1 . 34664 1
35 . 1 . 1 5 5 DG H1' H 1 6.083 0.003 . 1 . . 269 . A 5 DG H1' . 34664 1
36 . 1 . 1 5 5 DG H2' H 1 2.650 0.003 . 1 . . 435 . A 5 DG H2' . 34664 1
37 . 1 . 1 5 5 DG H2'' H 1 2.386 0.002 . 1 . . 434 . A 5 DG H2'' . 34664 1
38 . 1 . 1 5 5 DG H3' H 1 5.007 0.002 . 1 . . 340 . A 5 DG H3' . 34664 1
39 . 1 . 1 5 5 DG H8 H 1 7.625 0.002 . 1 . . 284 . A 5 DG H8 . 34664 1
40 . 1 . 1 5 5 DG C8 C 13 137.994 . . 1 . . 382 . A 5 DG C8 . 34664 1
41 . 1 . 1 6 6 DT H1' H 1 6.514 0.003 . 1 . . 309 . A 6 DT H1' . 34664 1
42 . 1 . 1 6 6 DT H2' H 1 2.484 0.003 . 1 . . 327 . A 6 DT H2' . 34664 1
43 . 1 . 1 6 6 DT H2'' H 1 2.684 . . 1 . . 326 . A 6 DT H2'' . 34664 1
44 . 1 . 1 6 6 DT H3' H 1 5.081 . . 1 . . 371 . A 6 DT H3' . 34664 1
45 . 1 . 1 6 6 DT H6 H 1 7.849 0.003 . 1 . . 278 . A 6 DT H6 . 34664 1
46 . 1 . 1 6 6 DT H71 H 1 1.990 0.006 . 1 . . 277 . A 6 DT H71 . 34664 1
47 . 1 . 1 6 6 DT H72 H 1 1.990 0.006 . 1 . . 277 . A 6 DT H72 . 34664 1
48 . 1 . 1 6 6 DT H73 H 1 1.990 0.006 . 1 . . 277 . A 6 DT H73 . 34664 1
49 . 1 . 1 6 6 DT C6 C 13 139.929 . . 1 . . 392 . A 6 DT C6 . 34664 1
50 . 1 . 1 7 7 DG H1 H 1 11.603 0.002 . 1 . . 424 . A 7 DG H1 . 34664 1
51 . 1 . 1 7 7 DG H1' H 1 6.121 0.002 . 1 . . 318 . A 7 DG H1' . 34664 1
52 . 1 . 1 7 7 DG H2' H 1 2.688 0.004 . 1 . . 436 . A 7 DG H2' . 34664 1
53 . 1 . 1 7 7 DG H2'' H 1 2.917 0.005 . 1 . . 403 . A 7 DG H2'' . 34664 1
54 . 1 . 1 7 7 DG H3' H 1 4.949 0.001 . 1 . . 370 . A 7 DG H3' . 34664 1
55 . 1 . 1 7 7 DG H8 H 1 8.176 0.002 . 1 . . 317 . A 7 DG H8 . 34664 1
56 . 1 . 1 7 7 DG C8 C 13 138.413 . . 1 . . 384 . A 7 DG C8 . 34664 1
57 . 1 . 1 8 8 DG H1 H 1 11.412 0.002 . 1 . . 425 . A 8 DG H1 . 34664 1
58 . 1 . 1 8 8 DG H1' H 1 6.224 0.003 . 1 . . 320 . A 8 DG H1' . 34664 1
59 . 1 . 1 8 8 DG H2' H 1 2.597 0.002 . 1 . . 334 . A 8 DG H2' . 34664 1
60 . 1 . 1 8 8 DG H2'' H 1 2.955 0.002 . 1 . . 333 . A 8 DG H2'' . 34664 1
61 . 1 . 1 8 8 DG H3' H 1 5.009 0.001 . 1 . . 372 . A 8 DG H3' . 34664 1
62 . 1 . 1 8 8 DG H8 H 1 7.791 0.002 . 1 . . 319 . A 8 DG H8 . 34664 1
63 . 1 . 1 8 8 DG C8 C 13 138.072 . . 1 . . 397 . A 8 DG C8 . 34664 1
64 . 1 . 1 9 9 DG H1 H 1 11.338 0.002 . 1 . . 429 . A 9 DG H1 . 34664 1
65 . 1 . 1 9 9 DG H1' H 1 6.291 0.006 . 1 . . 167 . A 9 DG H1' . 34664 1
66 . 1 . 1 9 9 DG H2' H 1 2.602 0.005 . 1 . . 585 . A 9 DG H2' . 34664 1
67 . 1 . 1 9 9 DG H2'' H 1 2.506 . . 1 . . 866 . A 9 DG H2'' . 34664 1
68 . 1 . 1 9 9 DG H3' H 1 5.030 0.006 . 1 . . 377 . A 9 DG H3' . 34664 1
69 . 1 . 1 9 9 DG H8 H 1 7.823 0.004 . 1 . . 332 . A 9 DG H8 . 34664 1
70 . 1 . 1 9 9 DG C8 C 13 138.189 . . 1 . . 400 . A 9 DG C8 . 34664 1
71 . 1 . 1 10 10 DT H1' H 1 6.284 0.003 . 1 . . 174 . A 10 DT H1' . 34664 1
72 . 1 . 1 10 10 DT H2' H 1 2.260 0.002 . 1 . . 172 . A 10 DT H2' . 34664 1
73 . 1 . 1 10 10 DT H2'' H 1 2.495 0.006 . 1 . . 173 . A 10 DT H2'' . 34664 1
74 . 1 . 1 10 10 DT H3' H 1 4.768 0.003 . 1 . . 380 . A 10 DT H3' . 34664 1
75 . 1 . 1 10 10 DT H6 H 1 7.688 0.001 . 1 . . 170 . A 10 DT H6 . 34664 1
76 . 1 . 1 10 10 DT H71 H 1 1.947 0.002 . 1 . . 171 . A 10 DT H71 . 34664 1
77 . 1 . 1 10 10 DT H72 H 1 1.947 0.002 . 1 . . 171 . A 10 DT H72 . 34664 1
78 . 1 . 1 10 10 DT H73 H 1 1.947 0.002 . 1 . . 171 . A 10 DT H73 . 34664 1
79 . 1 . 1 10 10 DT C6 C 13 140.079 . . 1 . . 302 . A 10 DT C6 . 34664 1
80 . 1 . 1 11 11 DA H1' H 1 6.680 0.004 . 1 . . 165 . A 11 DA H1' . 34664 1
81 . 1 . 1 11 11 DA H2 H 1 8.414 0.002 . 1 . . 166 . A 11 DA H2 . 34664 1
82 . 1 . 1 11 11 DA H2' H 1 3.058 0.003 . 1 . . 168 . A 11 DA H2' . 34664 1
83 . 1 . 1 11 11 DA H2'' H 1 2.957 0.001 . 1 . . 169 . A 11 DA H2'' . 34664 1
84 . 1 . 1 11 11 DA H3' H 1 5.146 0.002 . 1 . . 379 . A 11 DA H3' . 34664 1
85 . 1 . 1 11 11 DA H8 H 1 8.592 0.001 . 1 . . 164 . A 11 DA H8 . 34664 1
86 . 1 . 1 11 11 DA C2 C 13 154.914 . . 1 . . 176 . A 11 DA C2 . 34664 1
87 . 1 . 1 11 11 DA C8 C 13 143.343 . . 1 . . 175 . A 11 DA C8 . 34664 1
88 . 1 . 1 12 12 DG H1 H 1 11.850 0.001 . 1 . . 426 . A 12 DG H1 . 34664 1
89 . 1 . 1 12 12 DG H1' H 1 6.160 0.003 . 1 . . 312 . A 12 DG H1' . 34664 1
90 . 1 . 1 12 12 DG H2' H 1 2.628 0.005 . 1 . . 313 . A 12 DG H2' . 34664 1
91 . 1 . 1 12 12 DG H2'' H 1 2.984 0.004 . 1 . . 314 . A 12 DG H2'' . 34664 1
92 . 1 . 1 12 12 DG H3' H 1 5.003 0.001 . 1 . . 375 . A 12 DG H3' . 34664 1
93 . 1 . 1 12 12 DG H8 H 1 8.049 0.002 . 1 . . 311 . A 12 DG H8 . 34664 1
94 . 1 . 1 12 12 DG C8 C 13 138.463 . . 1 . . 385 . A 12 DG C8 . 34664 1
95 . 1 . 1 13 13 DG H1 H 1 11.348 0.001 . 1 . . 427 . A 13 DG H1 . 34664 1
96 . 1 . 1 13 13 DG H1' H 1 6.267 0.004 . 1 . . 316 . A 13 DG H1' . 34664 1
97 . 1 . 1 13 13 DG H2' H 1 2.654 0.002 . 1 . . 331 . A 13 DG H2' . 34664 1
98 . 1 . 1 13 13 DG H2'' H 1 3.062 0.001 . 1 . . 330 . A 13 DG H2'' . 34664 1
99 . 1 . 1 13 13 DG H3' H 1 5.035 0.002 . 1 . . 376 . A 13 DG H3' . 34664 1
100 . 1 . 1 13 13 DG H8 H 1 7.850 0.001 . 1 . . 315 . A 13 DG H8 . 34664 1
101 . 1 . 1 13 13 DG C8 C 13 138.393 . . 1 . . 393 . A 13 DG C8 . 34664 1
102 . 1 . 1 14 14 DG H1 H 1 11.330 0.002 . 1 . . 430 . A 14 DG H1 . 34664 1
103 . 1 . 1 14 14 DG H1' H 1 6.376 0.004 . 1 . . 322 . A 14 DG H1' . 34664 1
104 . 1 . 1 14 14 DG H2' H 1 2.660 0.002 . 1 . . 323 . A 14 DG H2' . 34664 1
105 . 1 . 1 14 14 DG H2'' H 1 2.526 0.003 . 1 . . 321 . A 14 DG H2'' . 34664 1
106 . 1 . 1 14 14 DG H3' H 1 5.151 . . 1 . . 373 . A 14 DG H3' . 34664 1
107 . 1 . 1 14 14 DG H8 H 1 7.820 0.001 . 1 . . 328 . A 14 DG H8 . 34664 1
108 . 1 . 1 14 14 DG C8 C 13 138.417 . . 1 . . 401 . A 14 DG C8 . 34664 1
109 . 1 . 1 15 15 DT H1' H 1 6.441 0.003 . 1 . . 310 . A 15 DT H1' . 34664 1
110 . 1 . 1 15 15 DT H2' H 1 2.399 0.001 . 1 . . 325 . A 15 DT H2' . 34664 1
111 . 1 . 1 15 15 DT H2'' H 1 2.623 . . 1 . . 324 . A 15 DT H2'' . 34664 1
112 . 1 . 1 15 15 DT H3' H 1 4.988 . . 1 . . 374 . A 15 DT H3' . 34664 1
113 . 1 . 1 15 15 DT H6 H 1 7.837 0.003 . 1 . . 276 . A 15 DT H6 . 34664 1
114 . 1 . 1 15 15 DT H71 H 1 1.956 0.003 . 1 . . 275 . A 15 DT H71 . 34664 1
115 . 1 . 1 15 15 DT H72 H 1 1.956 0.003 . 1 . . 275 . A 15 DT H72 . 34664 1
116 . 1 . 1 15 15 DT H73 H 1 1.956 0.003 . 1 . . 275 . A 15 DT H73 . 34664 1
117 . 1 . 1 15 15 DT C6 C 13 140.095 . . 1 . . 394 . A 15 DT C6 . 34664 1
118 . 1 . 1 16 16 DG H1 H 1 11.298 0.003 . 1 . . 420 . A 16 DG H1 . 34664 1
119 . 1 . 1 16 16 DG H1' H 1 6.082 0.001 . 1 . . 243 . A 16 DG H1' . 34664 1
120 . 1 . 1 16 16 DG H2' H 1 2.446 0.003 . 1 . . 402 . A 16 DG H2' . 34664 1
121 . 1 . 1 16 16 DG H2'' H 1 2.869 0.003 . 1 . . 245 . A 16 DG H2'' . 34664 1
122 . 1 . 1 16 16 DG H3' H 1 5.050 0.004 . 1 . . 366 . A 16 DG H3' . 34664 1
123 . 1 . 1 16 16 DG H8 H 1 7.929 0.001 . 1 . . 244 . A 16 DG H8 . 34664 1
124 . 1 . 1 16 16 DG C8 C 13 138.088 . . 1 . . 395 . A 16 DG C8 . 34664 1
125 . 1 . 1 17 17 DG H1 H 1 11.225 0.002 . 1 . . 421 . A 17 DG H1 . 34664 1
126 . 1 . 1 17 17 DG H1' H 1 6.122 0.002 . 1 . . 241 . A 17 DG H1' . 34664 1
127 . 1 . 1 17 17 DG H2' H 1 2.691 0.004 . 1 . . 248 . A 17 DG H2' . 34664 1
128 . 1 . 1 17 17 DG H2'' H 1 2.922 0.004 . 1 . . 247 . A 17 DG H2'' . 34664 1
129 . 1 . 1 17 17 DG H3' H 1 5.082 0.003 . 1 . . 367 . A 17 DG H3' . 34664 1
130 . 1 . 1 17 17 DG H8 H 1 7.797 0.002 . 1 . . 242 . A 17 DG H8 . 34664 1
131 . 1 . 1 17 17 DG C8 C 13 138.412 . . 1 . . 398 . A 17 DG C8 . 34664 1
132 . 1 . 1 18 18 DG H1 H 1 10.981 0.002 . 1 . . 419 . A 18 DG H1 . 34664 1
133 . 1 . 1 18 18 DG H1' H 1 5.794 0.003 . 1 . . 239 . A 18 DG H1' . 34664 1
134 . 1 . 1 18 18 DG H2' H 1 2.434 0.006 . 1 . . 250 . A 18 DG H2' . 34664 1
135 . 1 . 1 18 18 DG H2'' H 1 2.651 0.005 . 1 . . 249 . A 18 DG H2'' . 34664 1
136 . 1 . 1 18 18 DG H3' H 1 4.998 0.001 . 1 . . 368 . A 18 DG H3' . 34664 1
137 . 1 . 1 18 18 DG H8 H 1 7.742 0.001 . 1 . . 237 . A 18 DG H8 . 34664 1
138 . 1 . 1 18 18 DG C8 C 13 137.817 . . 1 . . 387 . A 18 DG C8 . 34664 1
139 . 1 . 1 19 19 DC H1' H 1 6.173 0.002 . 1 . . 238 . A 19 DC H1' . 34664 1
140 . 1 . 1 19 19 DC H2' H 1 2.049 0.001 . 1 . . 337 . A 19 DC H2' . 34664 1
141 . 1 . 1 19 19 DC H2'' H 1 2.437 0.003 . 1 . . 253 . A 19 DC H2'' . 34664 1
142 . 1 . 1 19 19 DC H3' H 1 4.903 0.003 . 1 . . 369 . A 19 DC H3' . 34664 1
143 . 1 . 1 19 19 DC H5 H 1 5.453 0.001 . 1 . . 236 . A 19 DC H5 . 34664 1
144 . 1 . 1 19 19 DC H6 H 1 7.618 0.004 . 1 . . 235 . A 19 DC H6 . 34664 1
145 . 1 . 1 19 19 DC H41 H 1 6.310 0.003 . 1 . . 272 . A 19 DC H41 . 34664 1
146 . 1 . 1 19 19 DC H42 H 1 7.815 0.001 . 1 . . 399 . A 19 DC H42 . 34664 1
147 . 1 . 1 19 19 DC C6 C 13 142.991 . . 1 . . 383 . A 19 DC C6 . 34664 1
148 . 1 . 1 20 20 DT H1' H 1 5.414 0.001 . 1 . . 232 . A 20 DT H1' . 34664 1
149 . 1 . 1 20 20 DT H2' H 1 2.077 0.002 . 1 . . 252 . A 20 DT H2' . 34664 1
150 . 1 . 1 20 20 DT H2'' H 1 2.283 0.003 . 1 . . 251 . A 20 DT H2'' . 34664 1
151 . 1 . 1 20 20 DT H3 H 1 13.563 0.002 . 1 . . 416 . A 20 DT H3 . 34664 1
152 . 1 . 1 20 20 DT H3' H 1 4.853 0.001 . 1 . . 365 . A 20 DT H3' . 34664 1
153 . 1 . 1 20 20 DT H6 H 1 7.298 0.002 . 1 . . 233 . A 20 DT H6 . 34664 1
154 . 1 . 1 20 20 DT H71 H 1 1.622 0.002 . 1 . . 234 . A 20 DT H71 . 34664 1
155 . 1 . 1 20 20 DT H72 H 1 1.622 0.002 . 1 . . 234 . A 20 DT H72 . 34664 1
156 . 1 . 1 20 20 DT H73 H 1 1.622 0.002 . 1 . . 234 . A 20 DT H73 . 34664 1
157 . 1 . 1 20 20 DT C6 C 13 139.628 . . 1 . . 297 . A 20 DT C6 . 34664 1
158 . 1 . 1 21 21 DA H1' H 1 5.969 0.003 . 1 . . 230 . A 21 DA H1' . 34664 1
159 . 1 . 1 21 21 DA H2 H 1 7.314 0.002 . 1 . . 407 . A 21 DA H2 . 34664 1
160 . 1 . 1 21 21 DA H2' H 1 2.820 0.002 . 1 . . 255 . A 21 DA H2' . 34664 1
161 . 1 . 1 21 21 DA H2'' H 1 2.877 0.006 . 1 . . 256 . A 21 DA H2'' . 34664 1
162 . 1 . 1 21 21 DA H3' H 1 5.028 0.001 . 1 . . 362 . A 21 DA H3' . 34664 1
163 . 1 . 1 21 21 DA H8 H 1 8.266 0.001 . 1 . . 231 . A 21 DA H8 . 34664 1
164 . 1 . 1 21 21 DA C2 C 13 154.051 . . 1 . . 412 . A 21 DA C2 . 34664 1
165 . 1 . 1 21 21 DA C8 C 13 141.863 . . 1 . . 388 . A 21 DA C8 . 34664 1
166 . 1 . 1 22 22 DG H1 H 1 12.651 0.002 . 1 . . 405 . A 22 DG H1 . 34664 1
167 . 1 . 1 22 22 DG H1' H 1 5.792 0.003 . 1 . . 228 . A 22 DG H1' . 34664 1
168 . 1 . 1 22 22 DG H2' H 1 2.432 0.001 . 1 . . 257 . A 22 DG H2' . 34664 1
169 . 1 . 1 22 22 DG H2'' H 1 2.653 0.005 . 1 . . 258 . A 22 DG H2'' . 34664 1
170 . 1 . 1 22 22 DG H3' H 1 4.788 0.003 . 1 . . 361 . A 22 DG H3' . 34664 1
171 . 1 . 1 22 22 DG H8 H 1 7.583 0.001 . 1 . . 229 . A 22 DG H8 . 34664 1
172 . 1 . 1 22 22 DG C8 C 13 137.205 . . 1 . . 381 . A 22 DG C8 . 34664 1
173 . 1 . 1 23 23 DT H1' H 1 5.893 0.003 . 1 . . 227 . A 23 DT H1' . 34664 1
174 . 1 . 1 23 23 DT H2' H 1 1.967 0.002 . 1 . . 260 . A 23 DT H2' . 34664 1
175 . 1 . 1 23 23 DT H2'' H 1 2.369 0.003 . 1 . . 259 . A 23 DT H2'' . 34664 1
176 . 1 . 1 23 23 DT H3 H 1 13.640 0.003 . 1 . . 417 . A 23 DT H3 . 34664 1
177 . 1 . 1 23 23 DT H3' H 1 4.764 0.001 . 1 . . 360 . A 23 DT H3' . 34664 1
178 . 1 . 1 23 23 DT H6 H 1 7.169 0.002 . 1 . . 225 . A 23 DT H6 . 34664 1
179 . 1 . 1 23 23 DT H71 H 1 1.233 0.003 . 1 . . 226 . A 23 DT H71 . 34664 1
180 . 1 . 1 23 23 DT H72 H 1 1.233 0.003 . 1 . . 226 . A 23 DT H72 . 34664 1
181 . 1 . 1 23 23 DT H73 H 1 1.233 0.003 . 1 . . 226 . A 23 DT H73 . 34664 1
182 . 1 . 1 23 23 DT C6 C 13 138.492 . . 1 . . 295 . A 23 DT C6 . 34664 1
183 . 1 . 1 24 24 DC H1' H 1 5.581 0.003 . 1 . . 222 . A 24 DC H1' . 34664 1
184 . 1 . 1 24 24 DC H2' H 1 1.769 0.006 . 1 . . 262 . A 24 DC H2' . 34664 1
185 . 1 . 1 24 24 DC H2'' H 1 2.228 0.005 . 1 . . 261 . A 24 DC H2'' . 34664 1
186 . 1 . 1 24 24 DC H3' H 1 4.764 0.001 . 1 . . 359 . A 24 DC H3' . 34664 1
187 . 1 . 1 24 24 DC H5 H 1 5.606 0.004 . 1 . . 224 . A 24 DC H5 . 34664 1
188 . 1 . 1 24 24 DC H6 H 1 7.338 0.004 . 1 . . 223 . A 24 DC H6 . 34664 1
189 . 1 . 1 24 24 DC H41 H 1 6.944 0.001 . 1 . . 270 . A 24 DC H41 . 34664 1
190 . 1 . 1 24 24 DC H42 H 1 8.523 0.0 . 1 . . 271 . A 24 DC H42 . 34664 1
191 . 1 . 1 24 24 DC C6 C 13 143.566 . . 1 . . 296 . A 24 DC C6 . 34664 1
192 . 1 . 1 25 25 DA H1' H 1 6.170 0.004 . 1 . . 221 . A 25 DA H1' . 34664 1
193 . 1 . 1 25 25 DA H2 H 1 7.888 0.001 . 1 . . 413 . A 25 DA H2 . 34664 1
194 . 1 . 1 25 25 DA H2' H 1 2.705 0.004 . 1 . . 264 . A 25 DA H2' . 34664 1
195 . 1 . 1 25 25 DA H2'' H 1 2.540 0.002 . 1 . . 263 . A 25 DA H2'' . 34664 1
196 . 1 . 1 25 25 DA H3' H 1 4.968 0.005 . 1 . . 358 . A 25 DA H3' . 34664 1
197 . 1 . 1 25 25 DA H8 H 1 8.162 0.001 . 1 . . 220 . A 25 DA H8 . 34664 1
198 . 1 . 1 25 25 DA C2 C 13 155.153 . . 1 . . 414 . A 25 DA C2 . 34664 1
199 . 1 . 1 25 25 DA C8 C 13 142.050 . . 1 . . 390 . A 25 DA C8 . 34664 1
200 . 1 . 1 26 26 DT H1' H 1 5.992 0.004 . 1 . . 193 . A 26 DT H1' . 34664 1
201 . 1 . 1 26 26 DT H2' H 1 2.050 0.003 . 1 . . 265 . A 26 DT H2' . 34664 1
202 . 1 . 1 26 26 DT H2'' H 1 2.319 0.004 . 1 . . 266 . A 26 DT H2'' . 34664 1
203 . 1 . 1 26 26 DT H3' H 1 4.669 0.002 . 1 . . 357 . A 26 DT H3' . 34664 1
204 . 1 . 1 26 26 DT H6 H 1 7.524 0.003 . 1 . . 194 . A 26 DT H6 . 34664 1
205 . 1 . 1 26 26 DT H71 H 1 1.778 0.003 . 1 . . 195 . A 26 DT H71 . 34664 1
206 . 1 . 1 26 26 DT H72 H 1 1.778 0.003 . 1 . . 195 . A 26 DT H72 . 34664 1
207 . 1 . 1 26 26 DT H73 H 1 1.778 0.003 . 1 . . 195 . A 26 DT H73 . 34664 1
208 . 1 . 1 26 26 DT C6 C 13 139.346 . . 1 . . 301 . A 26 DT C6 . 34664 1
209 . 1 . 1 27 27 DT H1' H 1 5.731 0.005 . 1 . . 191 . A 27 DT H1' . 34664 1
210 . 1 . 1 27 27 DT H2' H 1 1.932 0.003 . 1 . . 268 . A 27 DT H2' . 34664 1
211 . 1 . 1 27 27 DT H2'' H 1 2.193 0.004 . 1 . . 267 . A 27 DT H2'' . 34664 1
212 . 1 . 1 27 27 DT H3' H 1 4.604 0.003 . 1 . . 356 . A 27 DT H3' . 34664 1
213 . 1 . 1 27 27 DT H6 H 1 7.328 0.002 . 1 . . 192 . A 27 DT H6 . 34664 1
214 . 1 . 1 27 27 DT H71 H 1 1.585 0.003 . 1 . . 196 . A 27 DT H71 . 34664 1
215 . 1 . 1 27 27 DT H72 H 1 1.585 0.003 . 1 . . 196 . A 27 DT H72 . 34664 1
216 . 1 . 1 27 27 DT H73 H 1 1.585 0.003 . 1 . . 196 . A 27 DT H73 . 34664 1
217 . 1 . 1 27 27 DT C6 C 13 139.426 . . 1 . . 298 . A 27 DT C6 . 34664 1
218 . 1 . 1 28 28 DT H1' H 1 5.976 0.004 . 1 . . 189 . A 28 DT H1' . 34664 1
219 . 1 . 1 28 28 DT H2' H 1 2.173 0.002 . 1 . . 216 . A 28 DT H2' . 34664 1
220 . 1 . 1 28 28 DT H2'' H 1 2.387 0.004 . 1 . . 217 . A 28 DT H2'' . 34664 1
221 . 1 . 1 28 28 DT H3' H 1 4.701 0.004 . 1 . . 355 . A 28 DT H3' . 34664 1
222 . 1 . 1 28 28 DT H6 H 1 7.407 0.003 . 1 . . 190 . A 28 DT H6 . 34664 1
223 . 1 . 1 28 28 DT H71 H 1 1.627 0.001 . 1 . . 219 . A 28 DT H71 . 34664 1
224 . 1 . 1 28 28 DT H72 H 1 1.627 0.001 . 1 . . 219 . A 28 DT H72 . 34664 1
225 . 1 . 1 28 28 DT H73 H 1 1.627 0.001 . 1 . . 219 . A 28 DT H73 . 34664 1
226 . 1 . 1 28 28 DT C6 C 13 139.570 . . 1 . . 299 . A 28 DT C6 . 34664 1
227 . 1 . 1 29 29 DT H1' H 1 5.691 0.003 . 1 . . 187 . A 29 DT H1' . 34664 1
228 . 1 . 1 29 29 DT H2' H 1 2.129 0.002 . 1 . . 215 . A 29 DT H2' . 34664 1
229 . 1 . 1 29 29 DT H2'' H 1 2.431 0.007 . 1 . . 214 . A 29 DT H2'' . 34664 1
230 . 1 . 1 29 29 DT H3 H 1 13.278 0.002 . 1 . . 418 . A 29 DT H3 . 34664 1
231 . 1 . 1 29 29 DT H3' H 1 4.699 0.003 . 1 . . 354 . A 29 DT H3' . 34664 1
232 . 1 . 1 29 29 DT H6 H 1 7.392 0.003 . 1 . . 188 . A 29 DT H6 . 34664 1
233 . 1 . 1 29 29 DT H71 H 1 1.821 0.003 . 1 . . 218 . A 29 DT H71 . 34664 1
234 . 1 . 1 29 29 DT H72 H 1 1.821 0.003 . 1 . . 218 . A 29 DT H72 . 34664 1
235 . 1 . 1 29 29 DT H73 H 1 1.821 0.003 . 1 . . 218 . A 29 DT H73 . 34664 1
236 . 1 . 1 29 29 DT C6 C 13 139.525 . . 1 . . 300 . A 29 DT C6 . 34664 1
237 . 1 . 1 30 30 DG H1 H 1 12.630 0.002 . 1 . . 406 . A 30 DG H1 . 34664 1
238 . 1 . 1 30 30 DG H1' H 1 5.556 0.003 . 1 . . 183 . A 30 DG H1' . 34664 1
239 . 1 . 1 30 30 DG H2' H 1 2.674 0.005 . 1 . . 213 . A 30 DG H2' . 34664 1
240 . 1 . 1 30 30 DG H2'' H 1 2.757 0.002 . 1 . . 212 . A 30 DG H2'' . 34664 1
241 . 1 . 1 30 30 DG H3' H 1 4.969 0.004 . 1 . . 353 . A 30 DG H3' . 34664 1
242 . 1 . 1 30 30 DG H8 H 1 7.923 0.002 . 1 . . 186 . A 30 DG H8 . 34664 1
243 . 1 . 1 30 30 DG C8 C 13 138.381 . . 1 . . 396 . A 30 DG C8 . 34664 1
244 . 1 . 1 31 31 DA H1' H 1 6.214 0.003 . 1 . . 185 . A 31 DA H1' . 34664 1
245 . 1 . 1 31 31 DA H2 H 1 7.772 0.001 . 1 . . 409 . A 31 DA H2 . 34664 1
246 . 1 . 1 31 31 DA H2' H 1 2.652 0.008 . 1 . . 211 . A 31 DA H2' . 34664 1
247 . 1 . 1 31 31 DA H2'' H 1 2.850 0.003 . 1 . . 210 . A 31 DA H2'' . 34664 1
248 . 1 . 1 31 31 DA H3' H 1 4.988 0.005 . 1 . . 352 . A 31 DA H3' . 34664 1
249 . 1 . 1 31 31 DA H8 H 1 8.181 0.003 . 1 . . 182 . A 31 DA H8 . 34664 1
250 . 1 . 1 31 31 DA C2 C 13 155.041 . . 1 . . 410 . A 31 DA C2 . 34664 1
251 . 1 . 1 31 31 DA C8 C 13 142.063 . . 1 . . 389 . A 31 DA C8 . 34664 1
252 . 1 . 1 32 32 DC H1' H 1 5.684 0.003 . 1 . . 198 . A 32 DC H1' . 34664 1
253 . 1 . 1 32 32 DC H2' H 1 1.732 0.002 . 1 . . 378 . A 32 DC H2' . 34664 1
254 . 1 . 1 32 32 DC H2'' H 1 2.241 0.003 . 1 . . 439 . A 32 DC H2'' . 34664 1
255 . 1 . 1 32 32 DC H3' H 1 4.604 0.004 . 1 . . 351 . A 32 DC H3' . 34664 1
256 . 1 . 1 32 32 DC H5 H 1 5.129 0.003 . 1 . . 181 . A 32 DC H5 . 34664 1
257 . 1 . 1 32 32 DC H6 H 1 7.165 0.002 . 1 . . 180 . A 32 DC H6 . 34664 1
258 . 1 . 1 32 32 DC H41 H 1 7.967 0.003 . 1 . . 273 . A 32 DC H41 . 34664 1
259 . 1 . 1 32 32 DC H42 H 1 6.596 0.002 . 1 . . 274 . A 32 DC H42 . 34664 1
260 . 1 . 1 32 32 DC C6 C 13 141.859 . . 1 . . 197 . A 32 DC C6 . 34664 1
261 . 1 . 1 33 33 DT H1' H 1 5.078 0.002 . 1 . . 200 . A 33 DT H1' . 34664 1
262 . 1 . 1 33 33 DT H2' H 1 1.840 0.003 . 1 . . 438 . A 33 DT H2' . 34664 1
263 . 1 . 1 33 33 DT H2'' H 1 1.941 0.001 . 1 . . 440 . A 33 DT H2'' . 34664 1
264 . 1 . 1 33 33 DT H3 H 1 13.655 0.004 . 1 . . 415 . A 33 DT H3 . 34664 1
265 . 1 . 1 33 33 DT H3' H 1 4.596 0.003 . 1 . . 441 . A 33 DT H3' . 34664 1
266 . 1 . 1 33 33 DT H6 H 1 7.157 0.002 . 1 . . 199 . A 33 DT H6 . 34664 1
267 . 1 . 1 33 33 DT H71 H 1 1.427 0.003 . 1 . . 201 . A 33 DT H71 . 34664 1
268 . 1 . 1 33 33 DT H72 H 1 1.427 0.003 . 1 . . 201 . A 33 DT H72 . 34664 1
269 . 1 . 1 33 33 DT H73 H 1 1.427 0.003 . 1 . . 201 . A 33 DT H73 . 34664 1
270 . 1 . 1 33 33 DT C6 C 13 139.668 . . 1 . . 294 . A 33 DT C6 . 34664 1
271 . 1 . 1 34 34 DA H1' H 1 5.827 0.003 . 1 . . 203 . A 34 DA H1' . 34664 1
272 . 1 . 1 34 34 DA H2 H 1 7.438 0.002 . 1 . . 408 . A 34 DA H2 . 34664 1
273 . 1 . 1 34 34 DA H2' H 1 2.365 0.002 . 1 . . 209 . A 34 DA H2' . 34664 1
274 . 1 . 1 34 34 DA H2'' H 1 2.567 0.005 . 1 . . 208 . A 34 DA H2'' . 34664 1
275 . 1 . 1 34 34 DA H3' H 1 4.786 0.004 . 1 . . 350 . A 34 DA H3' . 34664 1
276 . 1 . 1 34 34 DA H8 H 1 7.836 0.002 . 1 . . 202 . A 34 DA H8 . 34664 1
277 . 1 . 1 34 34 DA C2 C 13 154.013 . . 1 . . 411 . A 34 DA C2 . 34664 1
278 . 1 . 1 34 34 DA C8 C 13 141.827 . . 1 . . 279 . A 34 DA C8 . 34664 1
279 . 1 . 1 35 35 DG H1 H 1 12.841 0.003 . 1 . . 404 . A 35 DG H1 . 34664 1
280 . 1 . 1 35 35 DG H1' H 1 5.489 0.002 . 1 . . 205 . A 35 DG H1' . 34664 1
281 . 1 . 1 35 35 DG H2' H 1 2.239 0.003 . 1 . . 207 . A 35 DG H2' . 34664 1
282 . 1 . 1 35 35 DG H2'' H 1 2.689 0.001 . 1 . . 206 . A 35 DG H2'' . 34664 1
283 . 1 . 1 35 35 DG H3' H 1 4.863 . . 1 . . 349 . A 35 DG H3' . 34664 1
284 . 1 . 1 35 35 DG H8 H 1 7.187 0.001 . 1 . . 204 . A 35 DG H8 . 34664 1
285 . 1 . 1 35 35 DG C8 C 13 136.774 . . 1 . . 293 . A 35 DG C8 . 34664 1
286 . 1 . 1 36 36 DG H1 H 1 10.693 0.002 . 1 . . 422 . A 36 DG H1 . 34664 1
287 . 1 . 1 36 36 DG H1' H 1 6.003 0.002 . 1 . . 178 . A 36 DG H1' . 34664 1
288 . 1 . 1 36 36 DG H2' H 1 2.304 0.001 . 1 . . 437 . A 36 DG H2' . 34664 1
289 . 1 . 1 36 36 DG H2'' H 1 2.997 0.002 . 1 . . 338 . A 36 DG H2'' . 34664 1
290 . 1 . 1 36 36 DG H3' H 1 4.687 0.001 . 1 . . 339 . A 36 DG H3' . 34664 1
291 . 1 . 1 36 36 DG H8 H 1 7.260 0.004 . 1 . . 177 . A 36 DG H8 . 34664 1
292 . 1 . 1 36 36 DG C8 C 13 139.895 . . 1 . . 179 . A 36 DG C8 . 34664 1
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