###################################
# 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 34062
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 34062 1
2 '2D 1H-13C HSQC aromatic' . . . 34062 1
3 '2D DQF-COSY' . . . 34062 1
4 '2D HMBC' . . . 34062 1
5 '2D 1H-1H NOESY' . . . 34062 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 DT H1' H 1 5.471 0.004 . 1 . 350 . A 1 DT H1' . 34062 1
2 . 1 1 1 1 DT H2' H 1 1.753 0.004 . 1 . 352 . A 1 DT H2' . 34062 1
3 . 1 1 1 1 DT H2'' H 1 2.267 0.004 . 1 . 353 . A 1 DT H2'' . 34062 1
4 . 1 1 1 1 DT H3' H 1 4.534 0.003 . 1 . 498 . A 1 DT H3' . 34062 1
5 . 1 1 1 1 DT H4' H 1 3.979 0.002 . 1 . 526 . A 1 DT H4' . 34062 1
6 . 1 1 1 1 DT H5' H 1 3.432 0.005 . 2 . 527 . A 1 DT H5' . 34062 1
7 . 1 1 1 1 DT H5'' H 1 3.432 0.005 . 2 . 528 . A 1 DT H5'' . 34062 1
8 . 1 1 1 1 DT H6 H 1 7.109 0.002 . 1 . 351 . A 1 DT H6 . 34062 1
9 . 1 1 1 1 DT H71 H 1 1.306 0.002 . 1 . 347 . A 1 DT H71 . 34062 1
10 . 1 1 1 1 DT H72 H 1 1.306 0.002 . 1 . 347 . A 1 DT H72 . 34062 1
11 . 1 1 1 1 DT H73 H 1 1.306 0.002 . 1 . 347 . A 1 DT H73 . 34062 1
12 . 1 1 1 1 DT C4' C 13 88.488 . . 1 . 545 . A 1 DT C4' . 34062 1
13 . 1 1 1 1 DT C5' C 13 63.912 . . 1 . 548 . A 1 DT C5' . 34062 1
14 . 1 1 1 1 DT C6 C 13 138.528 . . 1 . 412 . A 1 DT C6 . 34062 1
15 . 1 1 2 2 DT H1' H 1 5.661 0.003 . 1 . 431 . A 2 DT H1' . 34062 1
16 . 1 1 2 2 DT H2' H 1 2.552 0.006 . 1 . 433 . A 2 DT H2' . 34062 1
17 . 1 1 2 2 DT H2'' H 1 2.436 0.004 . 1 . 432 . A 2 DT H2'' . 34062 1
18 . 1 1 2 2 DT H3' H 1 4.739 0.002 . 1 . 522 . A 2 DT H3' . 34062 1
19 . 1 1 2 2 DT H4' H 1 4.176 0.003 . 1 . 559 . A 2 DT H4' . 34062 1
20 . 1 1 2 2 DT H5' H 1 3.901 0.005 . 2 . 557 . A 2 DT H5' . 34062 1
21 . 1 1 2 2 DT H5'' H 1 3.790 0.003 . 2 . 558 . A 2 DT H5'' . 34062 1
22 . 1 1 2 2 DT H6 H 1 7.187 0.003 . 1 . 429 . A 2 DT H6 . 34062 1
23 . 1 1 2 2 DT H71 H 1 1.555 0.003 . 1 . 428 . A 2 DT H71 . 34062 1
24 . 1 1 2 2 DT H72 H 1 1.555 0.003 . 1 . 428 . A 2 DT H72 . 34062 1
25 . 1 1 2 2 DT H73 H 1 1.555 0.003 . 1 . 428 . A 2 DT H73 . 34062 1
26 . 1 1 2 2 DT C6 C 13 142.350 . . 1 . 430 . A 2 DT C6 . 34062 1
27 . 1 1 3 3 GF2 H1' H 1 5.883 0.003 . 1 . 362 . A 3 GF2 H1' . 34062 1
28 . 1 1 3 3 GF2 H2' H 1 5.640 0.005 . 1 . 363 . A 3 GF2 H2' . 34062 1
29 . 1 1 3 3 GF2 H3' H 1 4.890 0.004 . 1 . 507 . A 3 GF2 H3' . 34062 1
30 . 1 1 3 3 GF2 H4' H 1 4.573 0.002 . 1 . 553 . A 3 GF2 H4' . 34062 1
31 . 1 1 3 3 GF2 H8 H 1 8.088 0.003 . 1 . 372 . A 3 GF2 H8 . 34062 1
32 . 1 1 3 3 GF2 C8 C 13 137.250 . . 1 . 434 . A 3 GF2 C8 . 34062 1
33 . 1 1 3 3 GF2 HN1 H 1 11.898 0.002 . 1 . 368 . A 3 GF2 HN1 . 34062 1
34 . 1 1 4 4 DG H1 H 1 11.527 0.004 . 1 . 369 . A 4 DG H1 . 34062 1
35 . 1 1 4 4 DG H1' H 1 6.041 0.003 . 1 . 387 . A 4 DG H1' . 34062 1
36 . 1 1 4 4 DG H2' H 1 2.427 0.004 . 1 . 388 . A 4 DG H2' . 34062 1
37 . 1 1 4 4 DG H2'' H 1 2.483 0.004 . 1 . 389 . A 4 DG H2'' . 34062 1
38 . 1 1 4 4 DG H3' H 1 4.778 0.005 . 1 . 508 . A 4 DG H3' . 34062 1
39 . 1 1 4 4 DG H4' H 1 4.333 0.003 . 1 . 551 . A 4 DG H4' . 34062 1
40 . 1 1 4 4 DG H8 H 1 7.554 0.003 . 1 . 375 . A 4 DG H8 . 34062 1
41 . 1 1 4 4 DG C8 C 13 137.200 . . 1 . 483 . A 4 DG C8 . 34062 1
42 . 1 1 5 5 DG H1 H 1 11.098 0.004 . 1 . 370 . A 5 DG H1 . 34062 1
43 . 1 1 5 5 DG H1' H 1 6.368 0.004 . 1 . 390 . A 5 DG H1' . 34062 1
44 . 1 1 5 5 DG H2' H 1 2.622 0.004 . 1 . 392 . A 5 DG H2' . 34062 1
45 . 1 1 5 5 DG H2'' H 1 2.565 0.002 . 1 . 391 . A 5 DG H2'' . 34062 1
46 . 1 1 5 5 DG H3' H 1 4.973 0.004 . 1 . 460 . A 5 DG H3' . 34062 1
47 . 1 1 5 5 DG H4' H 1 4.426 0.003 . 1 . 554 . A 5 DG H4' . 34062 1
48 . 1 1 5 5 DG H5' H 1 4.104 . . 2 . 604 . A 5 DG H5' . 34062 1
49 . 1 1 5 5 DG H5'' H 1 3.938 0.001 . 2 . 605 . A 5 DG H5'' . 34062 1
50 . 1 1 5 5 DG H8 H 1 7.916 0.003 . 1 . 377 . A 5 DG H8 . 34062 1
51 . 1 1 5 5 DG C1' C 13 85.427 . . 1 . 534 . A 5 DG C1' . 34062 1
52 . 1 1 5 5 DG C8 C 13 137.662 . . 1 . 450 . A 5 DG C8 . 34062 1
53 . 1 1 6 6 DT H1' H 1 6.106 0.003 . 1 . 453 . A 6 DT H1' . 34062 1
54 . 1 1 6 6 DT H2' H 1 1.957 0.002 . 1 . 454 . A 6 DT H2' . 34062 1
55 . 1 1 6 6 DT H2'' H 1 2.314 0.003 . 1 . 455 . A 6 DT H2'' . 34062 1
56 . 1 1 6 6 DT H3' H 1 4.809 0.003 . 1 . 556 . A 6 DT H3' . 34062 1
57 . 1 1 6 6 DT H4' H 1 4.227 0.002 . 1 . 567 . A 6 DT H4' . 34062 1
58 . 1 1 6 6 DT H6 H 1 7.561 0.003 . 1 . 451 . A 6 DT H6 . 34062 1
59 . 1 1 6 6 DT H71 H 1 1.959 0.003 . 1 . 452 . A 6 DT H71 . 34062 1
60 . 1 1 6 6 DT H72 H 1 1.959 0.003 . 1 . 452 . A 6 DT H72 . 34062 1
61 . 1 1 6 6 DT H73 H 1 1.959 0.003 . 1 . 452 . A 6 DT H73 . 34062 1
62 . 1 1 6 6 DT C1' C 13 87.718 . . 1 . 538 . A 6 DT C1' . 34062 1
63 . 1 1 6 6 DT C6 C 13 139.538 . . 1 . 456 . A 6 DT C6 . 34062 1
64 . 1 1 7 7 DT H1' H 1 6.347 0.003 . 1 . 501 . A 7 DT H1' . 34062 1
65 . 1 1 7 7 DT H2' H 1 2.493 0.003 . 1 . 502 . A 7 DT H2' . 34062 1
66 . 1 1 7 7 DT H2'' H 1 2.493 0.003 . 1 . 509 . A 7 DT H2'' . 34062 1
67 . 1 1 7 7 DT H3' H 1 4.876 0.003 . 1 . 510 . A 7 DT H3' . 34062 1
68 . 1 1 7 7 DT H4' H 1 4.322 0.002 . 1 . 521 . A 7 DT H4' . 34062 1
69 . 1 1 7 7 DT H5' H 1 4.154 0.002 . 2 . 599 . A 7 DT H5' . 34062 1
70 . 1 1 7 7 DT H5'' H 1 4.072 0.004 . 2 . 600 . A 7 DT H5'' . 34062 1
71 . 1 1 7 7 DT H6 H 1 7.694 0.003 . 1 . 437 . A 7 DT H6 . 34062 1
72 . 1 1 7 7 DT H71 H 1 1.972 0.002 . 1 . 500 . A 7 DT H71 . 34062 1
73 . 1 1 7 7 DT H72 H 1 1.972 0.002 . 1 . 500 . A 7 DT H72 . 34062 1
74 . 1 1 7 7 DT H73 H 1 1.972 0.002 . 1 . 500 . A 7 DT H73 . 34062 1
75 . 1 1 7 7 DT C1' C 13 88.002 . . 1 . 535 . A 7 DT C1' . 34062 1
76 . 1 1 7 7 DT C6 C 13 139.841 . . 1 . 499 . A 7 DT C6 . 34062 1
77 . 1 1 8 8 DA H1' H 1 6.554 0.004 . 1 . 423 . A 8 DA H1' . 34062 1
78 . 1 1 8 8 DA H2 H 1 8.272 0.003 . 1 . 413 . A 8 DA H2 . 34062 1
79 . 1 1 8 8 DA H2' H 1 3.057 0.004 . 1 . 425 . A 8 DA H2' . 34062 1
80 . 1 1 8 8 DA H2'' H 1 2.864 0.004 . 1 . 424 . A 8 DA H2'' . 34062 1
81 . 1 1 8 8 DA H3' H 1 5.169 0.004 . 1 . 446 . A 8 DA H3' . 34062 1
82 . 1 1 8 8 DA H4' H 1 4.496 0.002 . 1 . 518 . A 8 DA H4' . 34062 1
83 . 1 1 8 8 DA H5' H 1 4.201 0.001 . 2 . 602 . A 8 DA H5' . 34062 1
84 . 1 1 8 8 DA H5'' H 1 4.137 0.004 . 2 . 603 . A 8 DA H5'' . 34062 1
85 . 1 1 8 8 DA H8 H 1 8.502 0.003 . 1 . 435 . A 8 DA H8 . 34062 1
86 . 1 1 8 8 DA C1' C 13 86.166 . . 1 . 532 . A 8 DA C1' . 34062 1
87 . 1 1 8 8 DA C2 C 13 155.455 . . 1 . 414 . A 8 DA C2 . 34062 1
88 . 1 1 8 8 DA C2' C 13 40.665 0.006 . 1 . 549 . A 8 DA C2' . 34062 1
89 . 1 1 8 8 DA C8 C 13 142.572 . . 1 . 436 . A 8 DA C8 . 34062 1
90 . 1 1 9 9 GF2 H1' H 1 6.006 0.004 . 1 . 469 . A 9 GF2 H1' . 34062 1
91 . 1 1 9 9 GF2 H2' H 1 5.573 0.004 . 1 . 356 . A 9 GF2 H2' . 34062 1
92 . 1 1 9 9 GF2 H3' H 1 4.912 0.005 . 1 . 506 . A 9 GF2 H3' . 34062 1
93 . 1 1 9 9 GF2 H4' H 1 4.538 0.003 . 1 . 530 . A 9 GF2 H4' . 34062 1
94 . 1 1 9 9 GF2 H5' H 1 4.236 0.001 . 1 . 606 . A 9 GF2 H5' . 34062 1
95 . 1 1 9 9 GF2 H8 H 1 8.111 0.003 . 1 . 355 . A 9 GF2 H8 . 34062 1
96 . 1 1 9 9 GF2 C2 C 13 93.504 . . 1 . 531 . A 9 GF2 C2 . 34062 1
97 . 1 1 9 9 GF2 C8 C 13 137.740 . . 1 . 475 . A 9 GF2 C8 . 34062 1
98 . 1 1 9 9 GF2 HN1 H 1 11.697 0.002 . 1 . 461 . A 9 GF2 HN1 . 34062 1
99 . 1 1 10 10 DG H1 H 1 11.637 0.003 . 1 . 379 . A 10 DG H1 . 34062 1
100 . 1 1 10 10 DG H1' H 1 5.984 0.004 . 1 . 384 . A 10 DG H1' . 34062 1
101 . 1 1 10 10 DG H2' H 1 2.561 0.005 . 1 . 385 . A 10 DG H2' . 34062 1
102 . 1 1 10 10 DG H2'' H 1 2.669 0.004 . 1 . 386 . A 10 DG H2'' . 34062 1
103 . 1 1 10 10 DG H3' H 1 5.023 0.004 . 1 . 457 . A 10 DG H3' . 34062 1
104 . 1 1 10 10 DG H4' H 1 4.444 0.002 . 1 . 520 . A 10 DG H4' . 34062 1
105 . 1 1 10 10 DG H8 H 1 7.739 0.003 . 1 . 361 . A 10 DG H8 . 34062 1
106 . 1 1 10 10 DG C4' C 13 86.666 . . 1 . 543 . A 10 DG C4' . 34062 1
107 . 1 1 10 10 DG C8 C 13 137.640 . . 1 . 447 . A 10 DG C8 . 34062 1
108 . 1 1 11 11 DG H1 H 1 11.434 0.003 . 1 . 490 . A 11 DG H1 . 34062 1
109 . 1 1 11 11 DG H1' H 1 6.317 0.004 . 1 . 381 . A 11 DG H1' . 34062 1
110 . 1 1 11 11 DG H2' H 1 2.712 0.004 . 1 . 383 . A 11 DG H2' . 34062 1
111 . 1 1 11 11 DG H2'' H 1 2.622 0.003 . 1 . 382 . A 11 DG H2'' . 34062 1
112 . 1 1 11 11 DG H3' H 1 5.065 0.004 . 1 . 458 . A 11 DG H3' . 34062 1
113 . 1 1 11 11 DG H4' H 1 4.559 0.002 . 1 . 519 . A 11 DG H4' . 34062 1
114 . 1 1 11 11 DG H8 H 1 7.967 0.003 . 1 . 371 . A 11 DG H8 . 34062 1
115 . 1 1 11 11 DG C1' C 13 84.539 . . 1 . 533 . A 11 DG C1' . 34062 1
116 . 1 1 11 11 DG C8 C 13 137.082 . . 1 . 448 . A 11 DG C8 . 34062 1
117 . 1 1 12 12 DT H1' H 1 6.244 0.005 . 1 . 541 . A 12 DT H1' . 34062 1
118 . 1 1 12 12 DT H2' H 1 2.354 0.003 . 1 . 479 . A 12 DT H2' . 34062 1
119 . 1 1 12 12 DT H2'' H 1 2.489 0.004 . 1 . 478 . A 12 DT H2'' . 34062 1
120 . 1 1 12 12 DT H3' H 1 4.733 0.004 . 1 . 515 . A 12 DT H3' . 34062 1
121 . 1 1 12 12 DT H4' H 1 4.246 0.006 . 1 . 516 . A 12 DT H4' . 34062 1
122 . 1 1 12 12 DT H6 H 1 7.573 0.003 . 1 . 476 . A 12 DT H6 . 34062 1
123 . 1 1 12 12 DT H71 H 1 1.856 0.002 . 1 . 349 . A 12 DT H71 . 34062 1
124 . 1 1 12 12 DT H72 H 1 1.856 0.002 . 1 . 349 . A 12 DT H72 . 34062 1
125 . 1 1 12 12 DT H73 H 1 1.856 0.002 . 1 . 349 . A 12 DT H73 . 34062 1
126 . 1 1 12 12 DT C1' C 13 87.658 . . 1 . 542 . A 12 DT C1' . 34062 1
127 . 1 1 12 12 DT C6 C 13 139.885 . . 1 . 477 . A 12 DT C6 . 34062 1
128 . 1 1 13 13 DT H1' H 1 5.418 0.006 . 1 . 420 . A 13 DT H1' . 34062 1
129 . 1 1 13 13 DT H2' H 1 1.417 0.003 . 1 . 421 . A 13 DT H2' . 34062 1
130 . 1 1 13 13 DT H2'' H 1 2.232 0.004 . 1 . 422 . A 13 DT H2'' . 34062 1
131 . 1 1 13 13 DT H3' H 1 4.491 0.003 . 1 . 511 . A 13 DT H3' . 34062 1
132 . 1 1 13 13 DT H4' H 1 4.021 0.003 . 1 . 523 . A 13 DT H4' . 34062 1
133 . 1 1 13 13 DT H5' H 1 3.845 0.005 . 2 . 524 . A 13 DT H5' . 34062 1
134 . 1 1 13 13 DT H5'' H 1 3.655 0.004 . 2 . 525 . A 13 DT H5'' . 34062 1
135 . 1 1 13 13 DT H6 H 1 6.701 0.003 . 1 . 418 . A 13 DT H6 . 34062 1
136 . 1 1 13 13 DT H71 H 1 1.289 0.002 . 1 . 346 . A 13 DT H71 . 34062 1
137 . 1 1 13 13 DT H72 H 1 1.289 0.002 . 1 . 346 . A 13 DT H72 . 34062 1
138 . 1 1 13 13 DT H73 H 1 1.289 0.002 . 1 . 346 . A 13 DT H73 . 34062 1
139 . 1 1 13 13 DT C4' C 13 86.652 . . 1 . 547 . A 13 DT C4' . 34062 1
140 . 1 1 13 13 DT C6 C 13 137.250 . . 1 . 419 . A 13 DT C6 . 34062 1
141 . 1 1 14 14 DA H1' H 1 6.202 0.004 . 1 . 480 . A 14 DA H1' . 34062 1
142 . 1 1 14 14 DA H2 H 1 7.365 0.001 . 1 . 503 . A 14 DA H2 . 34062 1
143 . 1 1 14 14 DA H2' H 1 2.125 0.004 . 1 . 481 . A 14 DA H2' . 34062 1
144 . 1 1 14 14 DA H2'' H 1 2.443 0.002 . 1 . 482 . A 14 DA H2'' . 34062 1
145 . 1 1 14 14 DA H3' H 1 4.626 0.004 . 1 . 512 . A 14 DA H3' . 34062 1
146 . 1 1 14 14 DA H4' H 1 4.032 0.004 . 1 . 529 . A 14 DA H4' . 34062 1
147 . 1 1 14 14 DA H5' H 1 2.796 0.005 . 1 . 342 . A 14 DA H5' . 34062 1
148 . 1 1 14 14 DA H5'' H 1 3.378 0.004 . 1 . 343 . A 14 DA H5'' . 34062 1
149 . 1 1 14 14 DA H8 H 1 7.745 0.002 . 1 . 344 . A 14 DA H8 . 34062 1
150 . 1 1 14 14 DA C1' C 13 87.472 . . 1 . 540 . A 14 DA C1' . 34062 1
151 . 1 1 14 14 DA C2 C 13 153.804 . . 1 . 504 . A 14 DA C2 . 34062 1
152 . 1 1 14 14 DA C4' C 13 87.736 . . 1 . 546 . A 14 DA C4' . 34062 1
153 . 1 1 14 14 DA C5' C 13 67.446 0.013 . 1 . 544 . A 14 DA C5' . 34062 1
154 . 1 1 14 14 DA C8 C 13 142.447 . . 1 . 426 . A 14 DA C8 . 34062 1
155 . 1 1 15 15 DG H1 H 1 11.429 0.004 . 1 . 380 . A 15 DG H1 . 34062 1
156 . 1 1 15 15 DG H1' H 1 6.078 0.005 . 1 . 330 . A 15 DG H1' . 34062 1
157 . 1 1 15 15 DG H2' H 1 3.535 0.005 . 1 . 331 . A 15 DG H2' . 34062 1
158 . 1 1 15 15 DG H2'' H 1 3.058 0.003 . 1 . 332 . A 15 DG H2'' . 34062 1
159 . 1 1 15 15 DG H3' H 1 4.814 . . 1 . 563 . A 15 DG H3' . 34062 1
160 . 1 1 15 15 DG H8 H 1 7.362 0.002 . 1 . 333 . A 15 DG H8 . 34062 1
161 . 1 1 15 15 DG C1' C 13 88.734 . . 1 . 539 . A 15 DG C1' . 34062 1
162 . 1 1 15 15 DG C8 C 13 141.474 . . 1 . 406 . A 15 DG C8 . 34062 1
163 . 1 1 16 16 DG H1 H 1 11.251 0.003 . 1 . 378 . A 16 DG H1 . 34062 1
164 . 1 1 16 16 DG H1' H 1 5.883 0.004 . 1 . 334 . A 16 DG H1' . 34062 1
165 . 1 1 16 16 DG H2' H 1 2.922 0.004 . 1 . 336 . A 16 DG H2' . 34062 1
166 . 1 1 16 16 DG H2'' H 1 2.785 0.004 . 1 . 335 . A 16 DG H2'' . 34062 1
167 . 1 1 16 16 DG H3' H 1 5.014 0.003 . 1 . 564 . A 16 DG H3' . 34062 1
168 . 1 1 16 16 DG H8 H 1 7.391 0.003 . 1 . 337 . A 16 DG H8 . 34062 1
169 . 1 1 16 16 DG C8 C 13 140.611 . . 1 . 408 . A 16 DG C8 . 34062 1
170 . 1 1 17 17 DG H1 H 1 11.029 0.003 . 1 . 467 . A 17 DG H1 . 34062 1
171 . 1 1 17 17 DG H1' H 1 6.002 0.005 . 1 . 339 . A 17 DG H1' . 34062 1
172 . 1 1 17 17 DG H2' H 1 3.121 0.004 . 1 . 340 . A 17 DG H2' . 34062 1
173 . 1 1 17 17 DG H2'' H 1 2.214 0.003 . 1 . 341 . A 17 DG H2'' . 34062 1
174 . 1 1 17 17 DG H3' H 1 5.080 0.003 . 1 . 565 . A 17 DG H3' . 34062 1
175 . 1 1 17 17 DG H4' H 1 4.322 . . 1 . 569 . A 17 DG H4' . 34062 1
176 . 1 1 17 17 DG H8 H 1 7.633 0.002 . 1 . 338 . A 17 DG H8 . 34062 1
177 . 1 1 17 17 DG C8 C 13 141.051 . . 1 . 407 . A 17 DG C8 . 34062 1
178 . 1 1 18 18 DT H1' H 1 5.926 0.003 . 1 . 470 . A 18 DT H1' . 34062 1
179 . 1 1 18 18 DT H2' H 1 2.332 0.003 . 1 . 472 . A 18 DT H2' . 34062 1
180 . 1 1 18 18 DT H2'' H 1 2.527 0.004 . 1 . 471 . A 18 DT H2'' . 34062 1
181 . 1 1 18 18 DT H3' H 1 5.072 0.002 . 1 . 566 . A 18 DT H3' . 34062 1
182 . 1 1 18 18 DT H6 H 1 7.579 0.003 . 1 . 473 . A 18 DT H6 . 34062 1
183 . 1 1 18 18 DT H71 H 1 1.710 0.004 . 1 . 345 . A 18 DT H71 . 34062 1
184 . 1 1 18 18 DT H72 H 1 1.710 0.004 . 1 . 345 . A 18 DT H72 . 34062 1
185 . 1 1 18 18 DT H73 H 1 1.710 0.004 . 1 . 345 . A 18 DT H73 . 34062 1
186 . 1 1 18 18 DT C6 C 13 141.169 . . 1 . 474 . A 18 DT C6 . 34062 1
187 . 1 1 19 19 DT H1' H 1 5.917 0.003 . 1 . 439 . A 19 DT H1' . 34062 1
188 . 1 1 19 19 DT H2' H 1 1.594 0.004 . 1 . 441 . A 19 DT H2' . 34062 1
189 . 1 1 19 19 DT H2'' H 1 2.180 0.002 . 1 . 440 . A 19 DT H2'' . 34062 1
190 . 1 1 19 19 DT H3' H 1 4.754 0.013 . 1 . 514 . A 19 DT H3' . 34062 1
191 . 1 1 19 19 DT H4' H 1 4.191 0.001 . 1 . 601 . A 19 DT H4' . 34062 1
192 . 1 1 19 19 DT H6 H 1 7.232 0.004 . 1 . 442 . A 19 DT H6 . 34062 1
193 . 1 1 19 19 DT H71 H 1 1.523 0.003 . 1 . 348 . A 19 DT H71 . 34062 1
194 . 1 1 19 19 DT H72 H 1 1.523 0.003 . 1 . 348 . A 19 DT H72 . 34062 1
195 . 1 1 19 19 DT H73 H 1 1.523 0.003 . 1 . 348 . A 19 DT H73 . 34062 1
196 . 1 1 19 19 DT C6 C 13 138.680 . . 1 . 443 . A 19 DT C6 . 34062 1
197 . 1 1 20 20 DA H1' H 1 5.749 0.003 . 1 . 364 . A 20 DA H1' . 34062 1
198 . 1 1 20 20 DA H2 H 1 7.763 0.003 . 1 . 354 . A 20 DA H2 . 34062 1
199 . 1 1 20 20 DA H2' H 1 2.779 0.002 . 1 . 366 . A 20 DA H2' . 34062 1
200 . 1 1 20 20 DA H2'' H 1 2.855 0.003 . 1 . 365 . A 20 DA H2'' . 34062 1
201 . 1 1 20 20 DA H3' H 1 4.985 0.003 . 1 . 444 . A 20 DA H3' . 34062 1
202 . 1 1 20 20 DA H4' H 1 4.310 0.002 . 1 . 555 . A 20 DA H4' . 34062 1
203 . 1 1 20 20 DA H5' H 1 4.050 . . 2 . 574 . A 20 DA H5' . 34062 1
204 . 1 1 20 20 DA H5'' H 1 3.941 0.001 . 2 . 575 . A 20 DA H5'' . 34062 1
205 . 1 1 20 20 DA H8 H 1 8.252 0.002 . 1 . 367 . A 20 DA H8 . 34062 1
206 . 1 1 20 20 DA C1' C 13 84.742 . . 1 . 537 . A 20 DA C1' . 34062 1
207 . 1 1 20 20 DA C2 C 13 154.380 . . 1 . 415 . A 20 DA C2 . 34062 1
208 . 1 1 20 20 DA C8 C 13 141.508 . . 1 . 438 . A 20 DA C8 . 34062 1
209 . 1 1 21 21 GF2 H1' H 1 5.991 0.003 . 1 . 357 . A 21 GF2 H1' . 34062 1
210 . 1 1 21 21 GF2 H2' H 1 5.483 0.003 . 1 . 358 . A 21 GF2 H2' . 34062 1
211 . 1 1 21 21 GF2 H3' H 1 4.890 0.003 . 1 . 445 . A 21 GF2 H3' . 34062 1
212 . 1 1 21 21 GF2 H4' H 1 4.663 0.0 . 1 . 568 . A 21 GF2 H4' . 34062 1
213 . 1 1 21 21 GF2 H8 H 1 7.804 0.003 . 1 . 360 . A 21 GF2 H8 . 34062 1
214 . 1 1 21 21 GF2 C8 C 13 136.665 . . 1 . 410 . A 21 GF2 C8 . 34062 1
215 . 1 1 21 21 GF2 HN1 H 1 11.556 0.003 . 1 . 373 . A 21 GF2 HN1 . 34062 1
216 . 1 1 22 22 DG H1 H 1 11.144 0.003 . 1 . 374 . A 22 DG H1 . 34062 1
217 . 1 1 22 22 DG H1' H 1 6.035 0.003 . 1 . 393 . A 22 DG H1' . 34062 1
218 . 1 1 22 22 DG H2' H 1 2.499 0.003 . 1 . 394 . A 22 DG H2' . 34062 1
219 . 1 1 22 22 DG H2'' H 1 2.711 0.002 . 1 . 395 . A 22 DG H2'' . 34062 1
220 . 1 1 22 22 DG H3' H 1 4.883 0.003 . 1 . 405 . A 22 DG H3' . 34062 1
221 . 1 1 22 22 DG H4' H 1 4.437 0.003 . 1 . 552 . A 22 DG H4' . 34062 1
222 . 1 1 22 22 DG H8 H 1 7.537 0.003 . 1 . 359 . A 22 DG H8 . 34062 1
223 . 1 1 22 22 DG C8 C 13 136.687 . . 1 . 411 . A 22 DG C8 . 34062 1
224 . 1 1 23 23 DG H1 H 1 10.774 0.003 . 1 . 376 . A 23 DG H1 . 34062 1
225 . 1 1 23 23 DG H1' H 1 5.850 0.003 . 1 . 397 . A 23 DG H1' . 34062 1
226 . 1 1 23 23 DG H2' H 1 2.109 0.004 . 1 . 398 . A 23 DG H2' . 34062 1
227 . 1 1 23 23 DG H2'' H 1 2.481 0.004 . 1 . 399 . A 23 DG H2'' . 34062 1
228 . 1 1 23 23 DG H3' H 1 4.912 0.006 . 1 . 550 . A 23 DG H3' . 34062 1
229 . 1 1 23 23 DG H4' H 1 4.361 0.003 . 1 . 576 . A 23 DG H4' . 34062 1
230 . 1 1 23 23 DG H5' H 1 4.189 0.002 . 2 . 577 . A 23 DG H5' . 34062 1
231 . 1 1 23 23 DG H5'' H 1 4.131 0.004 . 2 . 578 . A 23 DG H5'' . 34062 1
232 . 1 1 23 23 DG H8 H 1 7.404 0.003 . 1 . 396 . A 23 DG H8 . 34062 1
233 . 1 1 23 23 DG C8 C 13 136.904 . . 1 . 484 . A 23 DG C8 . 34062 1
234 . 1 1 24 24 DA H1' H 1 6.137 0.003 . 1 . 401 . A 24 DA H1' . 34062 1
235 . 1 1 24 24 DA H2 H 1 7.606 0.003 . 1 . 416 . A 24 DA H2 . 34062 1
236 . 1 1 24 24 DA H2' H 1 2.728 0.003 . 1 . 402 . A 24 DA H2' . 34062 1
237 . 1 1 24 24 DA H2'' H 1 2.423 0.003 . 1 . 403 . A 24 DA H2'' . 34062 1
238 . 1 1 24 24 DA H3' H 1 4.691 0.003 . 1 . 404 . A 24 DA H3' . 34062 1
239 . 1 1 24 24 DA H4' H 1 4.204 0.004 . 1 . 517 . A 24 DA H4' . 34062 1
240 . 1 1 24 24 DA H8 H 1 7.927 0.002 . 1 . 400 . A 24 DA H8 . 34062 1
241 . 1 1 24 24 DA C1' C 13 85.262 . . 1 . 536 . A 24 DA C1' . 34062 1
242 . 1 1 24 24 DA C2 C 13 154.167 . . 1 . 417 . A 24 DA C2 . 34062 1
243 . 1 1 24 24 DA C8 C 13 141.172 . . 1 . 409 . A 24 DA C8 . 34062 1
stop_
save_