###################################
# 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 30552
_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' . . . 30552 1
2 '2D 1H-1H NOESY' . . . 30552 1
3 '2D 1H-1H NOESY' . . . 30552 1
4 '2D 1H-13C HSQC aromatic' . . . 30552 1
5 '2D DQF-COSY' . . . 30552 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 DT H1' H 1 5.889 0.002 . 1 . . 665 . A 0 DT H1' . 30552 1
2 . 1 1 1 1 DT H2' H 1 2.031 0.003 . 1 . . 662 . A 0 DT H2' . 30552 1
3 . 1 1 1 1 DT H2'' H 1 2.277 0.002 . 1 . . 661 . A 0 DT H2'' . 30552 1
4 . 1 1 1 1 DT H3' H 1 4.498 0.002 . 1 . . 912 . A 0 DT H3' . 30552 1
5 . 1 1 1 1 DT H4' H 1 3.909 0.001 . 1 . . 953 . A 0 DT H4' . 30552 1
6 . 1 1 1 1 DT H5' H 1 3.558 0.003 . 2 . . 954 . A 0 DT H5' . 30552 1
7 . 1 1 1 1 DT H5'' H 1 3.599 0.004 . 2 . . 955 . A 0 DT H5'' . 30552 1
8 . 1 1 1 1 DT H6 H 1 7.356 0.001 . 1 . . 695 . A 0 DT H6 . 30552 1
9 . 1 1 1 1 DT H71 H 1 1.640 0.002 . 1 . . 696 . A 0 DT H71 . 30552 1
10 . 1 1 1 1 DT H72 H 1 1.640 0.002 . 1 . . 696 . A 0 DT H72 . 30552 1
11 . 1 1 1 1 DT H73 H 1 1.640 0.002 . 1 . . 696 . A 0 DT H73 . 30552 1
12 . 1 1 1 1 DT C6 C 13 139.802 . . 1 . . 790 . A 0 DT C6 . 30552 1
13 . 1 1 2 2 DT H1' H 1 5.864 0.002 . 1 . . 638 . A 1 DT H1' . 30552 1
14 . 1 1 2 2 DT H2' H 1 1.848 0.002 . 1 . . 637 . A 1 DT H2' . 30552 1
15 . 1 1 2 2 DT H2'' H 1 2.170 0.003 . 1 . . 636 . A 1 DT H2'' . 30552 1
16 . 1 1 2 2 DT H3' H 1 4.591 0.002 . 1 . . 913 . A 1 DT H3' . 30552 1
17 . 1 1 2 2 DT H4' H 1 3.849 0.001 . 1 . . 950 . A 1 DT H4' . 30552 1
18 . 1 1 2 2 DT H5' H 1 3.706 0.004 . 2 . . 951 . A 1 DT H5' . 30552 1
19 . 1 1 2 2 DT H5'' H 1 3.565 0.002 . 2 . . 952 . A 1 DT H5'' . 30552 1
20 . 1 1 2 2 DT H6 H 1 7.253 0.002 . 1 . . 908 . A 1 DT H6 . 30552 1
21 . 1 1 2 2 DT H71 H 1 1.606 0.003 . 1 . . 634 . A 1 DT H71 . 30552 1
22 . 1 1 2 2 DT H72 H 1 1.606 0.003 . 1 . . 634 . A 1 DT H72 . 30552 1
23 . 1 1 2 2 DT H73 H 1 1.606 0.003 . 1 . . 634 . A 1 DT H73 . 30552 1
24 . 1 1 2 2 DT C6 C 13 139.581 . . 1 . . 909 . A 1 DT C6 . 30552 1
25 . 1 1 3 3 DG H1' H 1 5.752 0.002 . 1 . . 682 . A 2 DG H1' . 30552 1
26 . 1 1 3 3 DG H2' H 1 2.712 0.004 . 1 . . 684 . A 2 DG H2' . 30552 1
27 . 1 1 3 3 DG H2'' H 1 2.661 0.002 . 1 . . 683 . A 2 DG H2'' . 30552 1
28 . 1 1 3 3 DG H3' H 1 4.857 0.002 . 1 . . 688 . A 2 DG H3' . 30552 1
29 . 1 1 3 3 DG H4' H 1 4.242 0.003 . 1 . . 968 . A 2 DG H4' . 30552 1
30 . 1 1 3 3 DG H5' H 1 3.917 . . 2 . . 969 . A 2 DG H5' . 30552 1
31 . 1 1 3 3 DG H5'' H 1 3.952 0.005 . 2 . . 970 . A 2 DG H5'' . 30552 1
32 . 1 1 3 3 DG H8 H 1 7.645 0.002 . 1 . . 685 . A 2 DG H8 . 30552 1
33 . 1 1 3 3 DG C8 C 13 140.112 . . 1 . . 723 . A 2 DG C8 . 30552 1
34 . 1 1 4 4 DG H1 H 1 11.861 0.001 . 1 . . 701 . A 3 DG H1 . 30552 1
35 . 1 1 4 4 DG H1' H 1 6.050 0.002 . 1 . . 678 . A 3 DG H1' . 30552 1
36 . 1 1 4 4 DG H2' H 1 2.744 0.004 . 1 . . 680 . A 3 DG H2' . 30552 1
37 . 1 1 4 4 DG H2'' H 1 2.976 0.001 . 1 . . 679 . A 3 DG H2'' . 30552 1
38 . 1 1 4 4 DG H3' H 1 5.036 0.002 . 1 . . 689 . A 3 DG H3' . 30552 1
39 . 1 1 4 4 DG H4' H 1 4.470 0.001 . 1 . . 988 . A 3 DG H4' . 30552 1
40 . 1 1 4 4 DG H5' H 1 4.163 . . 1 . . 1034 . A 3 DG H5' . 30552 1
41 . 1 1 4 4 DG H5'' H 1 4.163 . . 1 . . 1035 . A 3 DG H5'' . 30552 1
42 . 1 1 4 4 DG H8 H 1 8.044 0.002 . 1 . . 681 . A 3 DG H8 . 30552 1
43 . 1 1 4 4 DG C8 C 13 138.711 . . 1 . . 769 . A 3 DG C8 . 30552 1
44 . 1 1 5 5 DG H1 H 1 12.168 2.307 . 1 . . 702 . A 4 DG H1 . 30552 1
45 . 1 1 5 5 DG H1' H 1 6.155 0.001 . 1 . . 673 . A 4 DG H1' . 30552 1
46 . 1 1 5 5 DG H2' H 1 2.608 0.002 . 1 . . 648 . A 4 DG H2' . 30552 1
47 . 1 1 5 5 DG H2'' H 1 2.887 0.003 . 1 . . 647 . A 4 DG H2'' . 30552 1
48 . 1 1 5 5 DG H3' H 1 5.014 0.003 . 1 . . 687 . A 4 DG H3' . 30552 1
49 . 1 1 5 5 DG H4' H 1 4.555 0.001 . 1 . . 963 . A 4 DG H4' . 30552 1
50 . 1 1 5 5 DG H5' H 1 4.318 . . 2 . . 1358 . A 4 DG H5' . 30552 1
51 . 1 1 5 5 DG H5'' H 1 4.289 . . 2 . . 1359 . A 4 DG H5'' . 30552 1
52 . 1 1 5 5 DG H8 H 1 7.692 0.002 . 1 . . 717 . A 4 DG H8 . 30552 1
53 . 1 1 5 5 DG H21 H 1 9.199 0.006 . 1 . . 1025 . A 4 DG H21 . 30552 1
54 . 1 1 5 5 DG H22 H 1 6.809 0.003 . 1 . . 1026 . A 4 DG H22 . 30552 1
55 . 1 1 5 5 DG C8 C 13 137.846 . . 1 . . 721 . A 4 DG C8 . 30552 1
56 . 1 1 6 6 DG H1 H 1 12.244 2.556 . 1 . . 704 . A 5 DG H1 . 30552 1
57 . 1 1 6 6 DG H1' H 1 6.417 0.001 . 1 . . 675 . A 5 DG H1' . 30552 1
58 . 1 1 6 6 DG H2' H 1 2.686 0.002 . 1 . . 677 . A 5 DG H2' . 30552 1
59 . 1 1 6 6 DG H2'' H 1 2.606 0.001 . 1 . . 676 . A 5 DG H2'' . 30552 1
60 . 1 1 6 6 DG H3' H 1 5.138 0.002 . 1 . . 686 . A 5 DG H3' . 30552 1
61 . 1 1 6 6 DG H4' H 1 4.645 0.002 . 1 . . 965 . A 5 DG H4' . 30552 1
62 . 1 1 6 6 DG H5' H 1 4.320 0.003 . 2 . . 966 . A 5 DG H5' . 30552 1
63 . 1 1 6 6 DG H5'' H 1 4.387 0.001 . 2 . . 967 . A 5 DG H5'' . 30552 1
64 . 1 1 6 6 DG H8 H 1 7.612 0.002 . 1 . . 674 . A 5 DG H8 . 30552 1
65 . 1 1 6 6 DG C8 C 13 138.081 . . 1 . . 722 . A 5 DG C8 . 30552 1
66 . 1 1 7 7 DA H1' H 1 6.694 0.002 . 1 . . 628 . A 6 DA H1' . 30552 1
67 . 1 1 7 7 DA H2 H 1 8.329 0.001 . 1 . . 780 . A 6 DA H2 . 30552 1
68 . 1 1 7 7 DA H2' H 1 2.923 0.003 . 1 . . 629 . A 6 DA H2' . 30552 1
69 . 1 1 7 7 DA H2'' H 1 2.933 0.006 . 1 . . 630 . A 6 DA H2'' . 30552 1
70 . 1 1 7 7 DA H3' H 1 5.236 0.002 . 1 . . 690 . A 6 DA H3' . 30552 1
71 . 1 1 7 7 DA H4' H 1 4.730 0.002 . 1 . . 923 . A 6 DA H4' . 30552 1
72 . 1 1 7 7 DA H5' H 1 4.305 . . 2 . . 1184 . A 6 DA H5' . 30552 1
73 . 1 1 7 7 DA H5'' H 1 4.328 . . 2 . . 1185 . A 6 DA H5'' . 30552 1
74 . 1 1 7 7 DA H8 H 1 8.553 0.003 . 1 . . 627 . A 6 DA H8 . 30552 1
75 . 1 1 7 7 DA C2 C 13 155.930 . . 1 . . 781 . A 6 DA C2 . 30552 1
76 . 1 1 7 7 DA C8 C 13 142.842 . . 1 . . 718 . A 6 DA C8 . 30552 1
77 . 1 1 8 8 DG H1 H 1 11.210 0.002 . 1 . . 896 . A 7 DG H1 . 30552 1
78 . 1 1 8 8 DG H1' H 1 6.061 0.001 . 1 . . 713 . A 7 DG H1' . 30552 1
79 . 1 1 8 8 DG H2' H 1 2.445 0.002 . 1 . . 652 . A 7 DG H2' . 30552 1
80 . 1 1 8 8 DG H2'' H 1 2.847 0.002 . 1 . . 651 . A 7 DG H2'' . 30552 1
81 . 1 1 8 8 DG H3' H 1 5.148 0.002 . 1 . . 716 . A 7 DG H3' . 30552 1
82 . 1 1 8 8 DG H4' H 1 4.501 0.003 . 1 . . 987 . A 7 DG H4' . 30552 1
83 . 1 1 8 8 DG H5' H 1 4.411 0.003 . 2 . . 1016 . A 7 DG H5' . 30552 1
84 . 1 1 8 8 DG H5'' H 1 4.327 0.001 . 2 . . 1017 . A 7 DG H5'' . 30552 1
85 . 1 1 8 8 DG H8 H 1 8.038 0.002 . 1 . . 709 . A 7 DG H8 . 30552 1
86 . 1 1 8 8 DG C8 C 13 138.444 . . 1 . . 719 . A 7 DG C8 . 30552 1
87 . 1 1 9 9 DG H1 H 1 11.468 0.002 . 1 . . 894 . A 8 DG H1 . 30552 1
88 . 1 1 9 9 DG H1' H 1 6.034 0.003 . 1 . . 672 . A 8 DG H1' . 30552 1
89 . 1 1 9 9 DG H2' H 1 2.662 0.002 . 1 . . 653 . A 8 DG H2' . 30552 1
90 . 1 1 9 9 DG H2'' H 1 2.784 0.002 . 1 . . 654 . A 8 DG H2'' . 30552 1
91 . 1 1 9 9 DG H3' H 1 5.048 0.002 . 1 . . 715 . A 8 DG H3' . 30552 1
92 . 1 1 9 9 DG H4' H 1 4.468 0.003 . 1 . . 985 . A 8 DG H4' . 30552 1
93 . 1 1 9 9 DG H5' H 1 4.199 0.002 . 2 . . 1187 . A 8 DG H5' . 30552 1
94 . 1 1 9 9 DG H5'' H 1 4.264 0.001 . 2 . . 1188 . A 8 DG H5'' . 30552 1
95 . 1 1 9 9 DG H8 H 1 7.953 0.002 . 1 . . 711 . A 8 DG H8 . 30552 1
96 . 1 1 9 9 DG H21 H 1 9.358 0.001 . 1 . . 1033 . A 8 DG H21 . 30552 1
97 . 1 1 9 9 DG C8 C 13 138.851 . . 1 . . 720 . A 8 DG C8 . 30552 1
98 . 1 1 10 10 DG H1 H 1 11.289 0.001 . 1 . . 892 . A 9 DG H1 . 30552 1
99 . 1 1 10 10 DG H1' H 1 6.320 0.003 . 1 . . 712 . A 9 DG H1' . 30552 1
100 . 1 1 10 10 DG H2' H 1 2.596 0.002 . 1 . . 991 . A 9 DG H2' . 30552 1
101 . 1 1 10 10 DG H2'' H 1 2.566 0.005 . 1 . . 992 . A 9 DG H2'' . 30552 1
102 . 1 1 10 10 DG H3' H 1 4.945 0.001 . 1 . . 714 . A 9 DG H3' . 30552 1
103 . 1 1 10 10 DG H4' H 1 4.284 0.002 . 1 . . 993 . A 9 DG H4' . 30552 1
104 . 1 1 10 10 DG H5' H 1 4.116 0.005 . 1 . . 994 . A 9 DG H5' . 30552 1
105 . 1 1 10 10 DG H5'' H 1 3.993 0.002 . 1 . . 995 . A 9 DG H5'' . 30552 1
106 . 1 1 10 10 DG H8 H 1 7.803 0.001 . 1 . . 710 . A 9 DG H8 . 30552 1
107 . 1 1 10 10 DG C8 C 13 138.399 . . 1 . . 757 . A 9 DG C8 . 30552 1
108 . 1 1 11 11 DT H1' H 1 6.219 0.003 . 1 . . 791 . A 10 DT H1' . 30552 1
109 . 1 1 11 11 DT H2' H 1 2.445 0.006 . 1 . . 917 . A 10 DT H2' . 30552 1
110 . 1 1 11 11 DT H2'' H 1 2.482 0.004 . 1 . . 916 . A 10 DT H2'' . 30552 1
111 . 1 1 11 11 DT H3' H 1 4.843 0.002 . 1 . . 904 . A 10 DT H3' . 30552 1
112 . 1 1 11 11 DT H4' H 1 4.343 0.001 . 1 . . 996 . A 10 DT H4' . 30552 1
113 . 1 1 11 11 DT H5' H 1 4.158 0.002 . 2 . . 1029 . A 10 DT H5' . 30552 1
114 . 1 1 11 11 DT H5'' H 1 4.048 0.002 . 2 . . 1030 . A 10 DT H5'' . 30552 1
115 . 1 1 11 11 DT H6 H 1 7.572 0.001 . 1 . . 776 . A 10 DT H6 . 30552 1
116 . 1 1 11 11 DT H71 H 1 1.933 0.002 . 1 . . 778 . A 10 DT H71 . 30552 1
117 . 1 1 11 11 DT H72 H 1 1.933 0.002 . 1 . . 778 . A 10 DT H72 . 30552 1
118 . 1 1 11 11 DT H73 H 1 1.933 0.002 . 1 . . 778 . A 10 DT H73 . 30552 1
119 . 1 1 11 11 DT C6 C 13 140.330 . . 1 . . 777 . A 10 DT C6 . 30552 1
120 . 1 1 12 12 DT H1' H 1 6.303 0.002 . 1 . . 666 . A 11 DT H1' . 30552 1
121 . 1 1 12 12 DT H2' H 1 2.424 0.002 . 1 . . 660 . A 11 DT H2' . 30552 1
122 . 1 1 12 12 DT H2'' H 1 2.549 0.002 . 1 . . 659 . A 11 DT H2'' . 30552 1
123 . 1 1 12 12 DT H3' H 1 4.938 0.002 . 1 . . 905 . A 11 DT H3' . 30552 1
124 . 1 1 12 12 DT H4' H 1 4.364 0.002 . 1 . . 989 . A 11 DT H4' . 30552 1
125 . 1 1 12 12 DT H5' H 1 4.124 0.004 . 2 . . 1360 . A 11 DT H5' . 30552 1
126 . 1 1 12 12 DT H5'' H 1 4.177 0.004 . 2 . . 1361 . A 11 DT H5'' . 30552 1
127 . 1 1 12 12 DT H6 H 1 7.658 0.001 . 1 . . 910 . A 11 DT H6 . 30552 1
128 . 1 1 12 12 DT H71 H 1 1.923 0.001 . 1 . . 775 . A 11 DT H71 . 30552 1
129 . 1 1 12 12 DT H72 H 1 1.923 0.001 . 1 . . 775 . A 11 DT H72 . 30552 1
130 . 1 1 12 12 DT H73 H 1 1.923 0.001 . 1 . . 775 . A 11 DT H73 . 30552 1
131 . 1 1 12 12 DT C6 C 13 140.223 . . 1 . . 911 . A 11 DT C6 . 30552 1
132 . 1 1 13 13 DT H1' H 1 6.314 0.002 . 1 . . 670 . A 12 DT H1' . 30552 1
133 . 1 1 13 13 DT H2' H 1 2.368 0.003 . 1 . . 658 . A 12 DT H2' . 30552 1
134 . 1 1 13 13 DT H2'' H 1 2.547 0.002 . 1 . . 657 . A 12 DT H2'' . 30552 1
135 . 1 1 13 13 DT H3' H 1 4.905 0.003 . 1 . . 771 . A 12 DT H3' . 30552 1
136 . 1 1 13 13 DT H4' H 1 4.372 0.003 . 1 . . 984 . A 12 DT H4' . 30552 1
137 . 1 1 13 13 DT H5' H 1 4.184 0.001 . 2 . . 1014 . A 12 DT H5' . 30552 1
138 . 1 1 13 13 DT H5'' H 1 4.125 0.001 . 2 . . 1015 . A 12 DT H5'' . 30552 1
139 . 1 1 13 13 DT H6 H 1 7.723 0.001 . 1 . . 772 . A 12 DT H6 . 30552 1
140 . 1 1 13 13 DT H71 H 1 1.949 0.002 . 1 . . 774 . A 12 DT H71 . 30552 1
141 . 1 1 13 13 DT H72 H 1 1.949 0.002 . 1 . . 774 . A 12 DT H72 . 30552 1
142 . 1 1 13 13 DT H73 H 1 1.949 0.002 . 1 . . 774 . A 12 DT H73 . 30552 1
143 . 1 1 13 13 DT C6 C 13 140.294 . . 1 . . 773 . A 12 DT C6 . 30552 1
144 . 1 1 14 14 DT H1' H 1 6.031 0.002 . 1 . . 737 . A 13 DT H1' . 30552 1
145 . 1 1 14 14 DT H2' H 1 1.873 0.003 . 1 . . 1177 . A 13 DT H2' . 30552 1
146 . 1 1 14 14 DT H2'' H 1 2.233 0.003 . 1 . . 663 . A 13 DT H2'' . 30552 1
147 . 1 1 14 14 DT H3' H 1 4.765 0.003 . 1 . . 738 . A 13 DT H3' . 30552 1
148 . 1 1 14 14 DT H4' H 1 4.132 0.001 . 1 . . 990 . A 13 DT H4' . 30552 1
149 . 1 1 14 14 DT H5' H 1 3.986 0.001 . 1 . . 1372 . A 13 DT H5' . 30552 1
150 . 1 1 14 14 DT H5'' H 1 3.986 0.001 . 1 . . 1373 . A 13 DT H5'' . 30552 1
151 . 1 1 14 14 DT H6 H 1 7.475 0.001 . 1 . . 739 . A 13 DT H6 . 30552 1
152 . 1 1 14 14 DT H71 H 1 1.907 0.003 . 1 . . 770 . A 13 DT H71 . 30552 1
153 . 1 1 14 14 DT H72 H 1 1.907 0.003 . 1 . . 770 . A 13 DT H72 . 30552 1
154 . 1 1 14 14 DT H73 H 1 1.907 0.003 . 1 . . 770 . A 13 DT H73 . 30552 1
155 . 1 1 14 14 DT C6 C 13 139.982 . . 1 . . 740 . A 13 DT C6 . 30552 1
156 . 1 1 15 15 DA H1' H 1 6.029 . . 1 . . 664 . A 14 DA H1' . 30552 1
157 . 1 1 15 15 DA H2 H 1 8.137 0.002 . 1 . . 782 . A 14 DA H2 . 30552 1
158 . 1 1 15 15 DA H2' H 1 2.895 0.001 . 1 . . 643 . A 14 DA H2' . 30552 1
159 . 1 1 15 15 DA H2'' H 1 2.758 0.001 . 1 . . 642 . A 14 DA H2'' . 30552 1
160 . 1 1 15 15 DA H3' H 1 5.044 0.002 . 1 . . 691 . A 14 DA H3' . 30552 1
161 . 1 1 15 15 DA H4' H 1 4.438 0.001 . 1 . . 971 . A 14 DA H4' . 30552 1
162 . 1 1 15 15 DA H5' H 1 4.057 0.001 . 2 . . 972 . A 14 DA H5' . 30552 1
163 . 1 1 15 15 DA H5'' H 1 4.089 0.004 . 2 . . 973 . A 14 DA H5'' . 30552 1
164 . 1 1 15 15 DA H8 H 1 8.382 0.001 . 1 . . 640 . A 14 DA H8 . 30552 1
165 . 1 1 15 15 DA C2 C 13 155.768 . . 1 . . 783 . A 14 DA C2 . 30552 1
166 . 1 1 15 15 DA C8 C 13 142.829 . . 1 . . 729 . A 14 DA C8 . 30552 1
167 . 1 1 16 16 DA H1' H 1 6.015 0.002 . 1 . . 734 . A 15 DA H1' . 30552 1
168 . 1 1 16 16 DA H2 H 1 7.922 0.002 . 1 . . 784 . A 15 DA H2 . 30552 1
169 . 1 1 16 16 DA H2' H 1 3.029 0.002 . 1 . . 732 . A 15 DA H2' . 30552 1
170 . 1 1 16 16 DA H2'' H 1 2.736 0.003 . 1 . . 733 . A 15 DA H2'' . 30552 1
171 . 1 1 16 16 DA H3' H 1 5.063 0.002 . 1 . . 735 . A 15 DA H3' . 30552 1
172 . 1 1 16 16 DA H4' H 1 4.394 0.001 . 1 . . 977 . A 15 DA H4' . 30552 1
173 . 1 1 16 16 DA H5' H 1 4.098 0.003 . 2 . . 1031 . A 15 DA H5' . 30552 1
174 . 1 1 16 16 DA H5'' H 1 4.098 0.003 . 2 . . 1032 . A 15 DA H5'' . 30552 1
175 . 1 1 16 16 DA H8 H 1 8.096 0.002 . 1 . . 730 . A 15 DA H8 . 30552 1
176 . 1 1 16 16 DA C2 C 13 154.862 . . 1 . . 785 . A 15 DA C2 . 30552 1
177 . 1 1 16 16 DA C8 C 13 143.324 . . 1 . . 731 . A 15 DA C8 . 30552 1
178 . 1 1 17 17 DG H1 H 1 11.986 0.002 . 1 . . 697 . A 16 DG H1 . 30552 1
179 . 1 1 17 17 DG H1' H 1 6.222 0.002 . 1 . . 646 . A 16 DG H1' . 30552 1
180 . 1 1 17 17 DG H2' H 1 2.849 0.003 . 1 . . 644 . A 16 DG H2' . 30552 1
181 . 1 1 17 17 DG H2'' H 1 3.071 0.002 . 1 . . 645 . A 16 DG H2'' . 30552 1
182 . 1 1 17 17 DG H3' H 1 5.070 0.002 . 1 . . 736 . A 16 DG H3' . 30552 1
183 . 1 1 17 17 DG H4' H 1 4.512 0.004 . 1 . . 974 . A 16 DG H4' . 30552 1
184 . 1 1 17 17 DG H5' H 1 4.161 0.001 . 2 . . 975 . A 16 DG H5' . 30552 1
185 . 1 1 17 17 DG H5'' H 1 4.207 0.001 . 2 . . 976 . A 16 DG H5'' . 30552 1
186 . 1 1 17 17 DG H8 H 1 8.218 0.002 . 1 . . 727 . A 16 DG H8 . 30552 1
187 . 1 1 17 17 DG C8 C 13 139.342 . . 1 . . 728 . A 16 DG C8 . 30552 1
188 . 1 1 18 18 DG H1 H 1 11.342 0.003 . 1 . . 700 . A 17 DG H1 . 30552 1
189 . 1 1 18 18 DG H1' H 1 6.248 0.001 . 1 . . 762 . A 17 DG H1' . 30552 1
190 . 1 1 18 18 DG H2' H 1 2.733 0.003 . 1 . . 761 . A 17 DG H2' . 30552 1
191 . 1 1 18 18 DG H2'' H 1 3.006 0.001 . 1 . . 760 . A 17 DG H2'' . 30552 1
192 . 1 1 18 18 DG H3' H 1 5.094 0.002 . 1 . . 898 . A 17 DG H3' . 30552 1
193 . 1 1 18 18 DG H4' H 1 4.608 0.001 . 1 . . 964 . A 17 DG H4' . 30552 1
194 . 1 1 18 18 DG H5' H 1 4.349 . . 2 . . 1374 . A 17 DG H5' . 30552 1
195 . 1 1 18 18 DG H5'' H 1 4.373 . . 2 . . 1375 . A 17 DG H5'' . 30552 1
196 . 1 1 18 18 DG H8 H 1 7.796 0.002 . 1 . . 758 . A 17 DG H8 . 30552 1
197 . 1 1 18 18 DG H21 H 1 9.326 0.004 . 1 . . 1023 . A 17 DG H21 . 30552 1
198 . 1 1 18 18 DG H22 H 1 6.867 0.005 . 1 . . 1024 . A 17 DG H22 . 30552 1
199 . 1 1 18 18 DG C8 C 13 137.976 . . 1 . . 759 . A 17 DG C8 . 30552 1
200 . 1 1 19 19 DG H1 H 1 11.231 0.003 . 1 . . 793 . A 18 DG H1 . 30552 1
201 . 1 1 19 19 DG H1' H 1 6.507 0.001 . 1 . . 763 . A 18 DG H1' . 30552 1
202 . 1 1 19 19 DG H2' H 1 2.727 0.002 . 1 . . 765 . A 18 DG H2' . 30552 1
203 . 1 1 19 19 DG H2'' H 1 2.645 0.001 . 1 . . 764 . A 18 DG H2'' . 30552 1
204 . 1 1 19 19 DG H3' H 1 5.165 0.003 . 1 . . 897 . A 18 DG H3' . 30552 1
205 . 1 1 19 19 DG H4' H 1 4.674 0.002 . 1 . . 962 . A 18 DG H4' . 30552 1
206 . 1 1 19 19 DG H5' H 1 4.353 0.004 . 2 . . 982 . A 18 DG H5' . 30552 1
207 . 1 1 19 19 DG H5'' H 1 4.450 0.0 . 2 . . 983 . A 18 DG H5'' . 30552 1
208 . 1 1 19 19 DG H8 H 1 7.835 0.002 . 1 . . 766 . A 18 DG H8 . 30552 1
209 . 1 1 19 19 DG C8 C 13 138.412 . . 1 . . 767 . A 18 DG C8 . 30552 1
210 . 1 1 20 20 DT H1' H 1 6.559 0.002 . 1 . . 671 . A 19 DT H1' . 30552 1
211 . 1 1 20 20 DT H2' H 1 2.503 0.002 . 1 . . 656 . A 19 DT H2' . 30552 1
212 . 1 1 20 20 DT H2'' H 1 2.712 0.003 . 1 . . 655 . A 19 DT H2'' . 30552 1
213 . 1 1 20 20 DT H3' H 1 5.159 0.001 . 1 . . 694 . A 19 DT H3' . 30552 1
214 . 1 1 20 20 DT H4' H 1 4.657 0.003 . 1 . . 924 . A 19 DT H4' . 30552 1
215 . 1 1 20 20 DT H5' H 1 4.344 0.001 . 2 . . 1179 . A 19 DT H5' . 30552 1
216 . 1 1 20 20 DT H5'' H 1 4.391 0.0 . 2 . . 1180 . A 19 DT H5'' . 30552 1
217 . 1 1 20 20 DT H6 H 1 7.893 0.001 . 1 . . 692 . A 19 DT H6 . 30552 1
218 . 1 1 20 20 DT H71 H 1 2.018 0.004 . 1 . . 693 . A 19 DT H71 . 30552 1
219 . 1 1 20 20 DT H72 H 1 2.018 0.004 . 1 . . 693 . A 19 DT H72 . 30552 1
220 . 1 1 20 20 DT H73 H 1 2.018 0.004 . 1 . . 693 . A 19 DT H73 . 30552 1
221 . 1 1 20 20 DT C6 C 13 140.250 . . 1 . . 741 . A 19 DT C6 . 30552 1
222 . 1 1 21 21 DG H1 H 1 11.472 0.002 . 1 . . 795 . A 20 DG H1 . 30552 1
223 . 1 1 21 21 DG H1' H 1 6.135 0.001 . 1 . . 744 . A 20 DG H1' . 30552 1
224 . 1 1 21 21 DG H2' H 1 2.451 0.003 . 1 . . 650 . A 20 DG H2' . 30552 1
225 . 1 1 21 21 DG H2'' H 1 2.895 0.002 . 1 . . 649 . A 20 DG H2'' . 30552 1
226 . 1 1 21 21 DG H3' H 1 5.153 0.002 . 1 . . 745 . A 20 DG H3' . 30552 1
227 . 1 1 21 21 DG H4' H 1 4.468 0.004 . 1 . . 978 . A 20 DG H4' . 30552 1
228 . 1 1 21 21 DG H5' H 1 4.267 0.001 . 2 . . 979 . A 20 DG H5' . 30552 1
229 . 1 1 21 21 DG H5'' H 1 4.362 0.004 . 2 . . 980 . A 20 DG H5'' . 30552 1
230 . 1 1 21 21 DG H8 H 1 8.022 0.002 . 1 . . 742 . A 20 DG H8 . 30552 1
231 . 1 1 21 21 DG C8 C 13 138.407 . . 1 . . 743 . A 20 DG C8 . 30552 1
232 . 1 1 22 22 DG H1 H 1 11.352 0.003 . 1 . . 705 . A 21 DG H1 . 30552 1
233 . 1 1 22 22 DG H1' H 1 6.013 0.003 . 1 . . 753 . A 21 DG H1' . 30552 1
234 . 1 1 22 22 DG H2' H 1 2.658 0.001 . 1 . . 755 . A 21 DG H2' . 30552 1
235 . 1 1 22 22 DG H2'' H 1 2.739 0.001 . 1 . . 754 . A 21 DG H2'' . 30552 1
236 . 1 1 22 22 DG H3' H 1 5.077 0.002 . 1 . . 903 . A 21 DG H3' . 30552 1
237 . 1 1 22 22 DG H4' H 1 4.498 0.0 . 1 . . 986 . A 21 DG H4' . 30552 1
238 . 1 1 22 22 DG H5' H 1 4.274 . . 2 . . 1173 . A 21 DG H5' . 30552 1
239 . 1 1 22 22 DG H5'' H 1 4.218 . . 2 . . 1174 . A 21 DG H5'' . 30552 1
240 . 1 1 22 22 DG H8 H 1 7.963 0.001 . 1 . . 746 . A 21 DG H8 . 30552 1
241 . 1 1 22 22 DG C8 C 13 138.769 . . 1 . . 747 . A 21 DG C8 . 30552 1
242 . 1 1 23 23 DG H1 H 1 10.903 0.003 . 1 . . 707 . A 22 DG H1 . 30552 1
243 . 1 1 23 23 DG H1' H 1 5.927 0.002 . 1 . . 751 . A 22 DG H1' . 30552 1
244 . 1 1 23 23 DG H2' H 1 2.112 0.002 . 1 . . 752 . A 22 DG H2' . 30552 1
245 . 1 1 23 23 DG H2'' H 1 2.530 0.003 . 1 . . 750 . A 22 DG H2'' . 30552 1
246 . 1 1 23 23 DG H3' H 1 4.932 0.001 . 1 . . 899 . A 22 DG H3' . 30552 1
247 . 1 1 23 23 DG H4' H 1 4.467 0.003 . 1 . . 997 . A 22 DG H4' . 30552 1
248 . 1 1 23 23 DG H5' H 1 4.262 0.003 . 2 . . 1027 . A 22 DG H5' . 30552 1
249 . 1 1 23 23 DG H5'' H 1 4.172 0.003 . 2 . . 1028 . A 22 DG H5'' . 30552 1
250 . 1 1 23 23 DG H8 H 1 7.374 0.002 . 1 . . 748 . A 22 DG H8 . 30552 1
251 . 1 1 23 23 DG C8 C 13 137.092 . . 1 . . 749 . A 22 DG C8 . 30552 1
252 . 1 1 24 24 DG H1' H 1 5.143 0.003 . 1 . . 902 . A 23 DG H1' . 30552 1
253 . 1 1 24 24 DG H2' H 1 2.328 0.002 . 1 . . 919 . A 23 DG H2' . 30552 1
254 . 1 1 24 24 DG H2'' H 1 2.321 0.001 . 1 . . 918 . A 23 DG H2'' . 30552 1
255 . 1 1 24 24 DG H3' H 1 4.854 0.001 . 1 . . 901 . A 23 DG H3' . 30552 1
256 . 1 1 24 24 DG H4' H 1 4.280 0.003 . 1 . . 1368 . A 23 DG H4' . 30552 1
257 . 1 1 24 24 DG H5' H 1 4.282 . . 2 . . 1376 . A 23 DG H5' . 30552 1
258 . 1 1 24 24 DG H5'' H 1 4.113 . . 2 . . 1377 . A 23 DG H5'' . 30552 1
259 . 1 1 24 24 DG H8 H 1 7.678 0.001 . 1 . . 756 . A 23 DG H8 . 30552 1
260 . 1 1 24 24 DG C8 C 13 138.637 . . 1 . . 768 . A 23 DG C8 . 30552 1
261 . 1 1 25 25 DA H1' H 1 5.664 0.003 . 1 . . 669 . A 24 DA H1' . 30552 1
262 . 1 1 25 25 DA H2 H 1 7.515 0.002 . 1 . . 788 . A 24 DA H2 . 30552 1
263 . 1 1 25 25 DA H2' H 1 2.309 0.002 . 1 . . 668 . A 24 DA H2' . 30552 1
264 . 1 1 25 25 DA H2'' H 1 2.388 0.004 . 1 . . 667 . A 24 DA H2'' . 30552 1
265 . 1 1 25 25 DA H3' H 1 4.752 0.002 . 1 . . 900 . A 24 DA H3' . 30552 1
266 . 1 1 25 25 DA H4' H 1 3.668 0.002 . 1 . . 956 . A 24 DA H4' . 30552 1
267 . 1 1 25 25 DA H5' H 1 3.879 0.003 . 2 . . 957 . A 24 DA H5' . 30552 1
268 . 1 1 25 25 DA H5'' H 1 3.840 0.014 . 2 . . 958 . A 24 DA H5'' . 30552 1
269 . 1 1 25 25 DA H8 H 1 7.919 0.002 . 1 . . 724 . A 24 DA H8 . 30552 1
270 . 1 1 25 25 DA C2 C 13 155.124 . . 1 . . 789 . A 24 DA C2 . 30552 1
271 . 1 1 25 25 DA C8 C 13 141.965 . . 1 . . 726 . A 24 DA C8 . 30552 1
272 . 1 1 26 26 DA H1' H 1 5.890 0.001 . 1 . . 906 . A 25 DA H1' . 30552 1
273 . 1 1 26 26 DA H2 H 1 7.637 0.002 . 1 . . 786 . A 25 DA H2 . 30552 1
274 . 1 1 26 26 DA H2' H 1 2.505 0.002 . 1 . . 914 . A 25 DA H2' . 30552 1
275 . 1 1 26 26 DA H2'' H 1 2.545 0.003 . 1 . . 915 . A 25 DA H2'' . 30552 1
276 . 1 1 26 26 DA H3' H 1 4.801 0.003 . 1 . . 907 . A 25 DA H3' . 30552 1
277 . 1 1 26 26 DA H4' H 1 4.236 0.003 . 1 . . 959 . A 25 DA H4' . 30552 1
278 . 1 1 26 26 DA H5' H 1 3.991 0.002 . 2 . . 960 . A 25 DA H5' . 30552 1
279 . 1 1 26 26 DA H5'' H 1 3.812 0.003 . 2 . . 961 . A 25 DA H5'' . 30552 1
280 . 1 1 26 26 DA H8 H 1 7.964 0.001 . 1 . . 631 . A 25 DA H8 . 30552 1
281 . 1 1 26 26 DA C2 C 13 155.185 . . 1 . . 787 . A 25 DA C2 . 30552 1
282 . 1 1 26 26 DA C8 C 13 141.459 . . 1 . . 725 . A 25 DA C8 . 30552 1
283 . 1 1 27 27 DT H1' H 1 5.872 0.004 . 1 . . 639 . A 26 DT H1' . 30552 1
284 . 1 1 27 27 DT H2' H 1 2.103 0.001 . 1 . . 920 . A 26 DT H2' . 30552 1
285 . 1 1 27 27 DT H2'' H 1 2.145 0.003 . 1 . . 922 . A 26 DT H2'' . 30552 1
286 . 1 1 27 27 DT H3' H 1 4.393 0.003 . 1 . . 921 . A 26 DT H3' . 30552 1
287 . 1 1 27 27 DT H4' H 1 3.940 0.004 . 1 . . 981 . A 26 DT H4' . 30552 1
288 . 1 1 27 27 DT H6 H 1 7.262 0.002 . 1 . . 633 . A 26 DT H6 . 30552 1
289 . 1 1 27 27 DT H71 H 1 1.540 0.003 . 1 . . 632 . A 26 DT H71 . 30552 1
290 . 1 1 27 27 DT H72 H 1 1.540 0.003 . 1 . . 632 . A 26 DT H72 . 30552 1
291 . 1 1 27 27 DT H73 H 1 1.540 0.003 . 1 . . 632 . A 26 DT H73 . 30552 1
292 . 1 1 27 27 DT C6 C 13 139.595 . . 1 . . 779 . A 26 DT C6 . 30552 1
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