Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34524
_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 '2D 1H-1H NOESY = 300 ms and 80 ms mixing time'
_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' . . . 34524 1
2 '2D 1H-1H NOESY' . . . 34524 1
3 '2D DQF-COSY' . . . 34524 1
4 '2D DQF-COSY' . . . 34524 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 DT H1' H 1 5.757 0.004 . 1 . . 620 . A 1 DT H1' . 34524 1
2 . 1 . 1 1 1 DT H2' H 1 1.575 0.002 . 1 . . 692 . A 1 DT H2' . 34524 1
3 . 1 . 1 1 1 DT H2'' H 1 2.031 0.001 . 1 . . 691 . A 1 DT H2'' . 34524 1
4 . 1 . 1 1 1 DT H3' H 1 4.410 0.003 . 1 . . 774 . A 1 DT H3' . 34524 1
5 . 1 . 1 1 1 DT H6 H 1 7.205 0.001 . 1 . . 621 . A 1 DT H6 . 34524 1
6 . 1 . 1 1 1 DT H71 H 1 1.642 0.002 . 1 . . 693 . A 1 DT H71 . 34524 1
7 . 1 . 1 1 1 DT H72 H 1 1.642 0.002 . 1 . . 693 . A 1 DT H72 . 34524 1
8 . 1 . 1 1 1 DT H73 H 1 1.642 0.002 . 1 . . 693 . A 1 DT H73 . 34524 1
9 . 1 . 1 1 1 DT C6 C 13 139.489 . . 1 . . 1718 . A 1 DT C6 . 34524 1
10 . 1 . 1 2 2 DG H1' H 1 5.566 0.002 . 1 . . 618 . A 2 DG H1' . 34524 1
11 . 1 . 1 2 2 DG H2' H 1 2.411 0.005 . 1 . . 690 . A 2 DG H2' . 34524 1
12 . 1 . 1 2 2 DG H2'' H 1 2.360 0.0 . 1 . . 689 . A 2 DG H2'' . 34524 1
13 . 1 . 1 2 2 DG H3' H 1 4.706 0.002 . 1 . . 772 . A 2 DG H3' . 34524 1
14 . 1 . 1 2 2 DG H8 H 1 7.610 0.001 . 1 . . 619 . A 2 DG H8 . 34524 1
15 . 1 . 1 2 2 DG C8 C 13 139.153 . . 1 . . 1711 . A 2 DG C8 . 34524 1
16 . 1 . 1 3 3 DA H1' H 1 5.822 0.002 . 1 . . 616 . A 3 DA H1' . 34524 1
17 . 1 . 1 3 3 DA H2 H 1 7.728 0.0 . 1 . . 830 . A 3 DA H2 . 34524 1
18 . 1 . 1 3 3 DA H2' H 1 2.468 0.002 . 1 . . 688 . A 3 DA H2' . 34524 1
19 . 1 . 1 3 3 DA H2'' H 1 2.583 0.001 . 1 . . 687 . A 3 DA H2'' . 34524 1
20 . 1 . 1 3 3 DA H3' H 1 4.856 . . 1 . . 773 . A 3 DA H3' . 34524 1
21 . 1 . 1 3 3 DA H8 H 1 7.994 0.001 . 1 . . 617 . A 3 DA H8 . 34524 1
22 . 1 . 1 3 3 DA C8 C 13 141.461 . . 1 . . 1696 . A 3 DA C8 . 34524 1
23 . 1 . 1 4 4 DG H1 H 1 11.615 0.002 . 1 . . 769 . A 4 DG H1 . 34524 1
24 . 1 . 1 4 4 DG H1' H 1 6.031 0.001 . 1 . . 671 . A 4 DG H1' . 34524 1
25 . 1 . 1 4 4 DG H2' H 1 2.706 0.001 . 1 . . 746 . A 4 DG H2' . 34524 1
26 . 1 . 1 4 4 DG H2'' H 1 2.955 0.003 . 1 . . 747 . A 4 DG H2'' . 34524 1
27 . 1 . 1 4 4 DG H3' H 1 4.976 . . 1 . . 791 . A 4 DG H3' . 34524 1
28 . 1 . 1 4 4 DG H8 H 1 7.961 0.001 . 1 . . 615 . A 4 DG H8 . 34524 1
29 . 1 . 1 5 5 DG H1 H 1 11.223 0.002 . 1 . . 770 . A 5 DG H1 . 34524 1
30 . 1 . 1 5 5 DG H1' H 1 6.081 0.002 . 1 . . 673 . A 5 DG H1' . 34524 1
31 . 1 . 1 5 5 DG H2' H 1 2.442 0.004 . 1 . . 751 . A 5 DG H2' . 34524 1
32 . 1 . 1 5 5 DG H2'' H 1 2.793 0.002 . 1 . . 750 . A 5 DG H2'' . 34524 1
33 . 1 . 1 5 5 DG H3' H 1 4.926 . . 1 . . 792 . A 5 DG H3' . 34524 1
34 . 1 . 1 5 5 DG H8 H 1 7.577 0.001 . 1 . . 672 . A 5 DG H8 . 34524 1
35 . 1 . 1 5 5 DG C8 C 13 137.596 . . 1 . . 1714 . A 5 DG C8 . 34524 1
36 . 1 . 1 6 6 DG H1 H 1 10.814 0.007 . 1 . . 771 . A 6 DG H1 . 34524 1
37 . 1 . 1 6 6 DG H1' H 1 6.184 0.003 . 1 . . 675 . A 6 DG H1' . 34524 1
38 . 1 . 1 6 6 DG H2' H 1 2.614 0.002 . 1 . . 752 . A 6 DG H2' . 34524 1
39 . 1 . 1 6 6 DG H2'' H 1 2.540 0.004 . 1 . . 753 . A 6 DG H2'' . 34524 1
40 . 1 . 1 6 6 DG H3' H 1 5.089 0.001 . 1 . . 793 . A 6 DG H3' . 34524 1
41 . 1 . 1 6 6 DG H8 H 1 7.540 0.001 . 1 . . 674 . A 6 DG H8 . 34524 1
42 . 1 . 1 6 6 DG C8 C 13 137.504 . . 1 . . 1712 . A 6 DG C8 . 34524 1
43 . 1 . 1 7 7 DT H1' H 1 6.522 0.001 . 1 . . 737 . A 7 DT H1' . 34524 1
44 . 1 . 1 7 7 DT H2' H 1 2.469 0.002 . 1 . . 743 . A 7 DT H2' . 34524 1
45 . 1 . 1 7 7 DT H2'' H 1 2.663 0.0 . 1 . . 740 . A 7 DT H2'' . 34524 1
46 . 1 . 1 7 7 DT H3' H 1 5.107 0.002 . 1 . . 801 . A 7 DT H3' . 34524 1
47 . 1 . 1 7 7 DT H4' H 1 4.601 . . 1 . . 810 . A 7 DT H4' . 34524 1
48 . 1 . 1 7 7 DT H6 H 1 7.850 0.001 . 1 . . 736 . A 7 DT H6 . 34524 1
49 . 1 . 1 7 7 DT H71 H 1 1.982 . . 1 . . 843 . A 7 DT H71 . 34524 1
50 . 1 . 1 7 7 DT H72 H 1 1.982 . . 1 . . 843 . A 7 DT H72 . 34524 1
51 . 1 . 1 7 7 DT H73 H 1 1.982 . . 1 . . 843 . A 7 DT H73 . 34524 1
52 . 1 . 1 7 7 DT C6 C 13 139.890 . . 1 . . 1698 . A 7 DT C6 . 34524 1
53 . 1 . 1 8 8 DG H1 H 1 11.612 0.002 . 1 . . 763 . A 8 DG H1 . 34524 1
54 . 1 . 1 8 8 DG H1' H 1 6.133 0.004 . 1 . . 684 . A 8 DG H1' . 34524 1
55 . 1 . 1 8 8 DG H2' H 1 2.489 0.001 . 1 . . 749 . A 8 DG H2' . 34524 1
56 . 1 . 1 8 8 DG H2'' H 1 2.900 0.002 . 1 . . 748 . A 8 DG H2'' . 34524 1
57 . 1 . 1 8 8 DG H3' H 1 5.057 . . 1 . . 803 . A 8 DG H3' . 34524 1
58 . 1 . 1 8 8 DG H8 H 1 7.962 0.0 . 1 . . 683 . A 8 DG H8 . 34524 1
59 . 1 . 1 9 9 DG H1 H 1 11.460 0.002 . 1 . . 764 . A 9 DG H1 . 34524 1
60 . 1 . 1 9 9 DG H1' H 1 6.173 0.001 . 1 . . 754 . A 9 DG H1' . 34524 1
61 . 1 . 1 9 9 DG H2' H 1 2.630 0.003 . 1 . . 759 . A 9 DG H2' . 34524 1
62 . 1 . 1 9 9 DG H2'' H 1 2.864 0.003 . 1 . . 755 . A 9 DG H2'' . 34524 1
63 . 1 . 1 9 9 DG H3' H 1 5.026 . . 1 . . 804 . A 9 DG H3' . 34524 1
64 . 1 . 1 9 9 DG H8 H 1 7.773 0.004 . 1 . . 686 . A 9 DG H8 . 34524 1
65 . 1 . 1 9 9 DG C8 C 13 138.145 . . 1 . . 1705 . A 9 DG C8 . 34524 1
66 . 1 . 1 10 10 DG H1 H 1 11.309 0.002 . 1 . . 765 . A 10 DG H1 . 34524 1
67 . 1 . 1 10 10 DG H1' H 1 6.358 0.002 . 1 . . 608 . A 10 DG H1' . 34524 1
68 . 1 . 1 10 10 DG H2' H 1 2.674 0.001 . 1 . . 676 . A 10 DG H2' . 34524 1
69 . 1 . 1 10 10 DG H2'' H 1 2.555 0.0 . 1 . . 677 . A 10 DG H2'' . 34524 1
70 . 1 . 1 10 10 DG H3' H 1 5.026 0.002 . 1 . . 802 . A 10 DG H3' . 34524 1
71 . 1 . 1 10 10 DG H4' H 1 4.462 . . 1 . . 813 . A 10 DG H4' . 34524 1
72 . 1 . 1 10 10 DG H8 H 1 7.791 0.002 . 1 . . 614 . A 10 DG H8 . 34524 1
73 . 1 . 1 10 10 DG C8 C 13 138.299 . . 1 . . 1707 . A 10 DG C8 . 34524 1
74 . 1 . 1 11 11 DT H1' H 1 6.254 0.003 . 1 . . 786 . A 11 DT H1' . 34524 1
75 . 1 . 1 11 11 DT H2' H 1 2.232 0.003 . 1 . . 732 . A 11 DT H2' . 34524 1
76 . 1 . 1 11 11 DT H2'' H 1 2.466 0.002 . 1 . . 731 . A 11 DT H2'' . 34524 1
77 . 1 . 1 11 11 DT H3' H 1 4.764 0.0 . 1 . . 787 . A 11 DT H3' . 34524 1
78 . 1 . 1 11 11 DT H6 H 1 7.670 0.001 . 1 . . 730 . A 11 DT H6 . 34524 1
79 . 1 . 1 11 11 DT H71 H 1 1.945 0.002 . 1 . . 733 . A 11 DT H71 . 34524 1
80 . 1 . 1 11 11 DT H72 H 1 1.945 0.002 . 1 . . 733 . A 11 DT H72 . 34524 1
81 . 1 . 1 11 11 DT H73 H 1 1.945 0.002 . 1 . . 733 . A 11 DT H73 . 34524 1
82 . 1 . 1 11 11 DT C6 C 13 140.110 . . 1 . . 1710 . A 11 DT C6 . 34524 1
83 . 1 . 1 12 12 DA H1' H 1 6.657 0.003 . 1 . . 610 . A 12 DA H1' . 34524 1
84 . 1 . 1 12 12 DA H2 H 1 8.336 0.001 . 1 . . 609 . A 12 DA H2 . 34524 1
85 . 1 . 1 12 12 DA H2' H 1 3.041 0.007 . 1 . . 735 . A 12 DA H2' . 34524 1
86 . 1 . 1 12 12 DA H2'' H 1 2.951 0.003 . 1 . . 734 . A 12 DA H2'' . 34524 1
87 . 1 . 1 12 12 DA H3' H 1 5.149 0.001 . 1 . . 815 . A 12 DA H3' . 34524 1
88 . 1 . 1 12 12 DA H8 H 1 8.531 0.001 . 1 . . 611 . A 12 DA H8 . 34524 1
89 . 1 . 1 12 12 DA C8 C 13 143.180 . . 1 . . 1691 . A 12 DA C8 . 34524 1
90 . 1 . 1 13 13 DG H1 H 1 11.830 0.001 . 1 . . 768 . A 13 DG H1 . 34524 1
91 . 1 . 1 13 13 DG H1' H 1 6.167 0.002 . 1 . . 613 . A 13 DG H1' . 34524 1
92 . 1 . 1 13 13 DG H2' H 1 2.661 0.003 . 1 . . 744 . A 13 DG H2' . 34524 1
93 . 1 . 1 13 13 DG H2'' H 1 2.955 0.003 . 1 . . 745 . A 13 DG H2'' . 34524 1
94 . 1 . 1 13 13 DG H3' H 1 5.012 0.001 . 1 . . 797 . A 13 DG H3' . 34524 1
95 . 1 . 1 13 13 DG H8 H 1 8.081 0.002 . 1 . . 612 . A 13 DG H8 . 34524 1
96 . 1 . 1 13 13 DG C8 C 13 138.423 . . 1 . . 1700 . A 13 DG C8 . 34524 1
97 . 1 . 1 14 14 DG H1 H 1 11.250 0.002 . 1 . . 767 . A 14 DG H1 . 34524 1
98 . 1 . 1 14 14 DG H1' H 1 6.234 0.0 . 1 . . 756 . A 14 DG H1' . 34524 1
99 . 1 . 1 14 14 DG H2' H 1 2.669 0.001 . 1 . . 758 . A 14 DG H2' . 34524 1
100 . 1 . 1 14 14 DG H2'' H 1 2.986 0.002 . 1 . . 757 . A 14 DG H2'' . 34524 1
101 . 1 . 1 14 14 DG H3' H 1 5.020 . . 1 . . 799 . A 14 DG H3' . 34524 1
102 . 1 . 1 14 14 DG H8 H 1 7.803 0.001 . 1 . . 685 . A 14 DG H8 . 34524 1
103 . 1 . 1 14 14 DG C8 C 13 137.863 . . 1 . . 1703 . A 14 DG C8 . 34524 1
104 . 1 . 1 15 15 DG H1 H 1 11.119 0.001 . 1 . . 766 . A 15 DG H1 . 34524 1
105 . 1 . 1 15 15 DG H1' H 1 6.409 0.001 . 1 . . 680 . A 15 DG H1' . 34524 1
106 . 1 . 1 15 15 DG H2' H 1 2.651 0.001 . 1 . . 679 . A 15 DG H2' . 34524 1
107 . 1 . 1 15 15 DG H2'' H 1 2.555 0.002 . 1 . . 678 . A 15 DG H2'' . 34524 1
108 . 1 . 1 15 15 DG H3' H 1 5.117 0.004 . 1 . . 798 . A 15 DG H3' . 34524 1
109 . 1 . 1 15 15 DG H4' H 1 4.593 . . 1 . . 812 . A 15 DG H4' . 34524 1
110 . 1 . 1 15 15 DG H8 H 1 7.788 0.001 . 1 . . 681 . A 15 DG H8 . 34524 1
111 . 1 . 1 15 15 DG C8 C 13 138.289 . . 1 . . 1706 . A 15 DG C8 . 34524 1
112 . 1 . 1 16 16 DT H1' H 1 6.505 0.001 . 1 . . 739 . A 16 DT H1' . 34524 1
113 . 1 . 1 16 16 DT H2' H 1 2.441 0.002 . 1 . . 742 . A 16 DT H2' . 34524 1
114 . 1 . 1 16 16 DT H2'' H 1 2.635 . . 1 . . 741 . A 16 DT H2'' . 34524 1
115 . 1 . 1 16 16 DT H3' H 1 5.059 0.0 . 1 . . 800 . A 16 DT H3' . 34524 1
116 . 1 . 1 16 16 DT H4' H 1 4.533 . . 1 . . 811 . A 16 DT H4' . 34524 1
117 . 1 . 1 16 16 DT H6 H 1 7.836 0.002 . 1 . . 738 . A 16 DT H6 . 34524 1
118 . 1 . 1 16 16 DT H71 H 1 1.982 . . 1 . . 844 . A 16 DT H71 . 34524 1
119 . 1 . 1 16 16 DT H72 H 1 1.982 . . 1 . . 844 . A 16 DT H72 . 34524 1
120 . 1 . 1 16 16 DT H73 H 1 1.982 . . 1 . . 844 . A 16 DT H73 . 34524 1
121 . 1 . 1 16 16 DT C6 C 13 139.884 . . 1 . . 1699 . A 16 DT C6 . 34524 1
122 . 1 . 1 17 17 DG H1 H 1 11.213 0.002 . 1 . . 762 . A 17 DG H1 . 34524 1
123 . 1 . 1 17 17 DG H1' H 1 5.990 0.001 . 1 . . 663 . A 17 DG H1' . 34524 1
124 . 1 . 1 17 17 DG H2' H 1 2.367 0.002 . 1 . . 666 . A 17 DG H2' . 34524 1
125 . 1 . 1 17 17 DG H2'' H 1 2.820 0.002 . 1 . . 665 . A 17 DG H2'' . 34524 1
126 . 1 . 1 17 17 DG H3' H 1 5.059 . . 1 . . 805 . A 17 DG H3' . 34524 1
127 . 1 . 1 17 17 DG H8 H 1 7.896 0.001 . 1 . . 664 . A 17 DG H8 . 34524 1
128 . 1 . 1 17 17 DG C8 C 13 137.825 . . 1 . . 1701 . A 17 DG C8 . 34524 1
129 . 1 . 1 18 18 DG H1 H 1 11.252 0.001 . 1 . . 761 . A 18 DG H1 . 34524 1
130 . 1 . 1 18 18 DG H1' H 1 6.112 0.001 . 1 . . 661 . A 18 DG H1' . 34524 1
131 . 1 . 1 18 18 DG H2' H 1 2.632 0.001 . 1 . . 667 . A 18 DG H2' . 34524 1
132 . 1 . 1 18 18 DG H2'' H 1 2.888 0.003 . 1 . . 668 . A 18 DG H2'' . 34524 1
133 . 1 . 1 18 18 DG H3' H 1 5.073 0.001 . 1 . . 806 . A 18 DG H3' . 34524 1
134 . 1 . 1 18 18 DG H8 H 1 7.875 0.001 . 1 . . 662 . A 18 DG H8 . 34524 1
135 . 1 . 1 18 18 DG C8 C 13 138.236 . . 1 . . 1708 . A 18 DG C8 . 34524 1
136 . 1 . 1 19 19 DG H1 H 1 11.093 0.001 . 1 . . 760 . A 19 DG H1 . 34524 1
137 . 1 . 1 19 19 DG H1' H 1 5.992 0.002 . 1 . . 660 . A 19 DG H1' . 34524 1
138 . 1 . 1 19 19 DG H2' H 1 2.635 0.002 . 1 . . 669 . A 19 DG H2' . 34524 1
139 . 1 . 1 19 19 DG H2'' H 1 2.567 0.003 . 1 . . 670 . A 19 DG H2'' . 34524 1
140 . 1 . 1 19 19 DG H3' H 1 4.995 0.001 . 1 . . 808 . A 19 DG H3' . 34524 1
141 . 1 . 1 19 19 DG H8 H 1 7.719 0.001 . 1 . . 659 . A 19 DG H8 . 34524 1
142 . 1 . 1 19 19 DG C8 C 13 138.221 . . 1 . . 1704 . A 19 DG C8 . 34524 1
143 . 1 . 1 20 20 DC H1' H 1 6.069 0.001 . 1 . . 656 . A 20 DC H1' . 34524 1
144 . 1 . 1 20 20 DC H2' H 1 2.074 0.002 . 1 . . 709 . A 20 DC H2' . 34524 1
145 . 1 . 1 20 20 DC H2'' H 1 2.368 0.004 . 1 . . 710 . A 20 DC H2'' . 34524 1
146 . 1 . 1 20 20 DC H3' H 1 4.839 . . 1 . . 809 . A 20 DC H3' . 34524 1
147 . 1 . 1 20 20 DC H5 H 1 5.399 0.002 . 1 . . 658 . A 20 DC H5 . 34524 1
148 . 1 . 1 20 20 DC H6 H 1 7.551 0.002 . 1 . . 657 . A 20 DC H6 . 34524 1
149 . 1 . 1 20 20 DC H41 H 1 7.819 0.001 . 1 . . 824 . A 20 DC H41 . 34524 1
150 . 1 . 1 20 20 DC H42 H 1 6.458 0.002 . 1 . . 823 . A 20 DC H42 . 34524 1
151 . 1 . 1 20 20 DC C6 C 13 142.882 . . 1 . . 1729 . A 20 DC C6 . 34524 1
152 . 1 . 1 21 21 DT H1' H 1 5.389 0.002 . 1 . . 654 . A 21 DT H1' . 34524 1
153 . 1 . 1 21 21 DT H2' H 1 2.088 0.001 . 1 . . 695 . A 21 DT H2' . 34524 1
154 . 1 . 1 21 21 DT H2'' H 1 2.279 0.002 . 1 . . 694 . A 21 DT H2'' . 34524 1
155 . 1 . 1 21 21 DT H3 H 1 13.570 0.003 . 1 . . 829 . A 21 DT H3 . 34524 1
156 . 1 . 1 21 21 DT H3' H 1 4.825 . . 1 . . 814 . A 21 DT H3' . 34524 1
157 . 1 . 1 21 21 DT H4' H 1 4.118 . . 1 . . 839 . A 21 DT H4' . 34524 1
158 . 1 . 1 21 21 DT H5' H 1 4.017 . . 1 . . 840 . A 21 DT H5' . 34524 1
159 . 1 . 1 21 21 DT H6 H 1 7.327 0.002 . 1 . . 655 . A 21 DT H6 . 34524 1
160 . 1 . 1 21 21 DT H71 H 1 1.598 0.002 . 1 . . 833 . A 21 DT H71 . 34524 1
161 . 1 . 1 21 21 DT H72 H 1 1.598 0.002 . 1 . . 833 . A 21 DT H72 . 34524 1
162 . 1 . 1 21 21 DT H73 H 1 1.598 0.002 . 1 . . 833 . A 21 DT H73 . 34524 1
163 . 1 . 1 21 21 DT C6 C 13 139.607 . . 1 . . 1720 . A 21 DT C6 . 34524 1
164 . 1 . 1 22 22 DA H1' H 1 6.006 0.001 . 1 . . 653 . A 22 DA H1' . 34524 1
165 . 1 . 1 22 22 DA H2 H 1 7.304 0.001 . 1 . . 826 . A 22 DA H2 . 34524 1
166 . 1 . 1 22 22 DA H2' H 1 2.829 0.001 . 1 . . 696 . A 22 DA H2' . 34524 1
167 . 1 . 1 22 22 DA H2'' H 1 2.889 0.004 . 1 . . 697 . A 22 DA H2'' . 34524 1
168 . 1 . 1 22 22 DA H3' H 1 5.037 . . 1 . . 796 . A 22 DA H3' . 34524 1
169 . 1 . 1 22 22 DA H8 H 1 8.254 0.001 . 1 . . 652 . A 22 DA H8 . 34524 1
170 . 1 . 1 22 22 DA C8 C 13 141.895 . . 1 . . 1693 . A 22 DA C8 . 34524 1
171 . 1 . 1 23 23 DG H1 H 1 12.658 0.002 . 1 . . 818 . A 23 DG H1 . 34524 1
172 . 1 . 1 23 23 DG H1' H 1 5.790 0.001 . 1 . . 648 . A 23 DG H1' . 34524 1
173 . 1 . 1 23 23 DG H2' H 1 2.440 0.001 . 1 . . 699 . A 23 DG H2' . 34524 1
174 . 1 . 1 23 23 DG H2'' H 1 2.660 0.001 . 1 . . 698 . A 23 DG H2'' . 34524 1
175 . 1 . 1 23 23 DG H3' H 1 4.356 . . 1 . . 837 . A 23 DG H3' . 34524 1
176 . 1 . 1 23 23 DG H8 H 1 7.590 0.001 . 1 . . 651 . A 23 DG H8 . 34524 1
177 . 1 . 1 23 23 DG C8 C 13 137.256 . . 1 . . 1715 . A 23 DG C8 . 34524 1
178 . 1 . 1 24 24 DT H1' H 1 5.900 0.001 . 1 . . 646 . A 24 DT H1' . 34524 1
179 . 1 . 1 24 24 DT H2' H 1 1.969 0.0 . 1 . . 701 . A 24 DT H2' . 34524 1
180 . 1 . 1 24 24 DT H2'' H 1 2.374 0.004 . 1 . . 700 . A 24 DT H2'' . 34524 1
181 . 1 . 1 24 24 DT H3 H 1 13.637 0.002 . 1 . . 825 . A 24 DT H3 . 34524 1
182 . 1 . 1 24 24 DT H3' H 1 4.771 0.002 . 1 . . 795 . A 24 DT H3' . 34524 1
183 . 1 . 1 24 24 DT H6 H 1 7.159 0.002 . 1 . . 647 . A 24 DT H6 . 34524 1
184 . 1 . 1 24 24 DT H71 H 1 1.240 0.003 . 1 . . 832 . A 24 DT H71 . 34524 1
185 . 1 . 1 24 24 DT H72 H 1 1.240 0.003 . 1 . . 832 . A 24 DT H72 . 34524 1
186 . 1 . 1 24 24 DT H73 H 1 1.240 0.003 . 1 . . 832 . A 24 DT H73 . 34524 1
187 . 1 . 1 24 24 DT C6 C 13 138.494 . . 1 . . 1717 . A 24 DT C6 . 34524 1
188 . 1 . 1 25 25 DC H1' H 1 5.575 0.002 . 1 . . 644 . A 25 DC H1' . 34524 1
189 . 1 . 1 25 25 DC H2' H 1 1.768 0.005 . 1 . . 703 . A 25 DC H2' . 34524 1
190 . 1 . 1 25 25 DC H2'' H 1 2.225 0.001 . 1 . . 702 . A 25 DC H2'' . 34524 1
191 . 1 . 1 25 25 DC H3' H 1 4.765 0.001 . 1 . . 788 . A 25 DC H3' . 34524 1
192 . 1 . 1 25 25 DC H5 H 1 5.605 0.003 . 1 . . 649 . A 25 DC H5 . 34524 1
193 . 1 . 1 25 25 DC H6 H 1 7.335 0.001 . 1 . . 645 . A 25 DC H6 . 34524 1
194 . 1 . 1 25 25 DC H41 H 1 8.524 0.002 . 1 . . 821 . A 25 DC H41 . 34524 1
195 . 1 . 1 25 25 DC H42 H 1 6.940 0.002 . 1 . . 819 . A 25 DC H42 . 34524 1
196 . 1 . 1 25 25 DC C6 C 13 143.556 . . 1 . . 1726 . A 25 DC C6 . 34524 1
197 . 1 . 1 26 26 DA H1' H 1 6.175 0.002 . 1 . . 643 . A 26 DA H1' . 34524 1
198 . 1 . 1 26 26 DA H2' H 1 2.709 0.001 . 1 . . 705 . A 26 DA H2' . 34524 1
199 . 1 . 1 26 26 DA H2'' H 1 2.540 0.003 . 1 . . 704 . A 26 DA H2'' . 34524 1
200 . 1 . 1 26 26 DA H3' H 1 4.967 0.001 . 1 . . 785 . A 26 DA H3' . 34524 1
201 . 1 . 1 26 26 DA H8 H 1 8.164 0.001 . 1 . . 642 . A 26 DA H8 . 34524 1
202 . 1 . 1 26 26 DA C8 C 13 142.034 . . 1 . . 1695 . A 26 DA C8 . 34524 1
203 . 1 . 1 27 27 DT H1' H 1 5.990 0.003 . 1 . . 640 . A 27 DT H1' . 34524 1
204 . 1 . 1 27 27 DT H2' H 1 2.059 0.002 . 1 . . 707 . A 27 DT H2' . 34524 1
205 . 1 . 1 27 27 DT H2'' H 1 2.324 0.004 . 1 . . 706 . A 27 DT H2'' . 34524 1
206 . 1 . 1 27 27 DT H3' H 1 4.667 0.001 . 1 . . 784 . A 27 DT H3' . 34524 1
207 . 1 . 1 27 27 DT H6 H 1 7.523 0.001 . 1 . . 641 . A 27 DT H6 . 34524 1
208 . 1 . 1 27 27 DT H71 H 1 1.782 0.001 . 1 . . 708 . A 27 DT H71 . 34524 1
209 . 1 . 1 27 27 DT H72 H 1 1.782 0.001 . 1 . . 708 . A 27 DT H72 . 34524 1
210 . 1 . 1 27 27 DT H73 H 1 1.782 0.001 . 1 . . 708 . A 27 DT H73 . 34524 1
211 . 1 . 1 27 27 DT C6 C 13 139.338 . . 1 . . 1724 . A 27 DT C6 . 34524 1
212 . 1 . 1 28 28 DT H1' H 1 5.727 0.002 . 1 . . 638 . A 28 DT H1' . 34524 1
213 . 1 . 1 28 28 DT H2' H 1 1.936 0.002 . 1 . . 729 . A 28 DT H2' . 34524 1
214 . 1 . 1 28 28 DT H2'' H 1 2.190 . . 1 . . 728 . A 28 DT H2'' . 34524 1
215 . 1 . 1 28 28 DT H3' H 1 4.603 0.004 . 1 . . 782 . A 28 DT H3' . 34524 1
216 . 1 . 1 28 28 DT H6 H 1 7.326 0.001 . 1 . . 639 . A 28 DT H6 . 34524 1
217 . 1 . 1 28 28 DT H71 H 1 1.590 0.002 . 1 . . 836 . A 28 DT H71 . 34524 1
218 . 1 . 1 28 28 DT H72 H 1 1.590 0.002 . 1 . . 836 . A 28 DT H72 . 34524 1
219 . 1 . 1 28 28 DT H73 H 1 1.590 0.002 . 1 . . 836 . A 28 DT H73 . 34524 1
220 . 1 . 1 28 28 DT C6 C 13 139.465 . . 1 . . 1721 . A 28 DT C6 . 34524 1
221 . 1 . 1 29 29 DT H1' H 1 5.972 0.002 . 1 . . 637 . A 29 DT H1' . 34524 1
222 . 1 . 1 29 29 DT H2' H 1 2.172 0.001 . 1 . . 726 . A 29 DT H2' . 34524 1
223 . 1 . 1 29 29 DT H2'' H 1 2.381 0.001 . 1 . . 727 . A 29 DT H2'' . 34524 1
224 . 1 . 1 29 29 DT H3' H 1 4.711 . . 1 . . 783 . A 29 DT H3' . 34524 1
225 . 1 . 1 29 29 DT H6 H 1 7.403 0.001 . 1 . . 636 . A 29 DT H6 . 34524 1
226 . 1 . 1 29 29 DT H71 H 1 1.625 0.001 . 1 . . 834 . A 29 DT H71 . 34524 1
227 . 1 . 1 29 29 DT H72 H 1 1.625 0.001 . 1 . . 834 . A 29 DT H72 . 34524 1
228 . 1 . 1 29 29 DT H73 H 1 1.625 0.001 . 1 . . 834 . A 29 DT H73 . 34524 1
229 . 1 . 1 29 29 DT C6 C 13 139.562 . . 1 . . 1723 . A 29 DT C6 . 34524 1
230 . 1 . 1 30 30 DT H1' H 1 5.682 0.002 . 1 . . 634 . A 30 DT H1' . 34524 1
231 . 1 . 1 30 30 DT H2' H 1 2.122 0.002 . 1 . . 724 . A 30 DT H2' . 34524 1
232 . 1 . 1 30 30 DT H2'' H 1 2.426 0.002 . 1 . . 725 . A 30 DT H2'' . 34524 1
233 . 1 . 1 30 30 DT H3' H 1 4.692 . . 1 . . 781 . A 30 DT H3' . 34524 1
234 . 1 . 1 30 30 DT H6 H 1 7.387 0.002 . 1 . . 635 . A 30 DT H6 . 34524 1
235 . 1 . 1 30 30 DT H71 H 1 1.817 0.001 . 1 . . 835 . A 30 DT H71 . 34524 1
236 . 1 . 1 30 30 DT H72 H 1 1.817 0.001 . 1 . . 835 . A 30 DT H72 . 34524 1
237 . 1 . 1 30 30 DT H73 H 1 1.817 0.001 . 1 . . 835 . A 30 DT H73 . 34524 1
238 . 1 . 1 30 30 DT C6 C 13 139.557 . . 1 . . 1722 . A 30 DT C6 . 34524 1
239 . 1 . 1 31 31 DG H1 H 1 12.647 0.002 . 1 . . 822 . A 31 DG H1 . 34524 1
240 . 1 . 1 31 31 DG H1' H 1 5.545 0.002 . 1 . . 632 . A 31 DG H1' . 34524 1
241 . 1 . 1 31 31 DG H2' H 1 2.669 0.002 . 1 . . 718 . A 31 DG H2' . 34524 1
242 . 1 . 1 31 31 DG H2'' H 1 2.748 0.003 . 1 . . 719 . A 31 DG H2'' . 34524 1
243 . 1 . 1 31 31 DG H3' H 1 4.967 . . 1 . . 780 . A 31 DG H3' . 34524 1
244 . 1 . 1 31 31 DG H8 H 1 7.918 0.001 . 1 . . 633 . A 31 DG H8 . 34524 1
245 . 1 . 1 31 31 DG C8 C 13 138.369 . . 1 . . 1702 . A 31 DG C8 . 34524 1
246 . 1 . 1 32 32 DA H1' H 1 6.211 0.005 . 1 . . 630 . A 32 DA H1' . 34524 1
247 . 1 . 1 32 32 DA H2 H 1 7.777 0.001 . 1 . . 816 . A 32 DA H2 . 34524 1
248 . 1 . 1 32 32 DA H2' H 1 2.656 0.002 . 1 . . 722 . A 32 DA H2' . 34524 1
249 . 1 . 1 32 32 DA H2'' H 1 2.849 0.002 . 1 . . 721 . A 32 DA H2'' . 34524 1
250 . 1 . 1 32 32 DA H3' H 1 4.986 0.002 . 1 . . 778 . A 32 DA H3' . 34524 1
251 . 1 . 1 32 32 DA H8 H 1 8.181 0.001 . 1 . . 631 . A 32 DA H8 . 34524 1
252 . 1 . 1 32 32 DA C8 C 13 141.151 . . 1 . . 1694 . A 32 DA C8 . 34524 1
253 . 1 . 1 33 33 DC H1' H 1 5.701 0.002 . 1 . . 628 . A 33 DC H1' . 34524 1
254 . 1 . 1 33 33 DC H2' H 1 1.767 0.001 . 1 . . 717 . A 33 DC H2' . 34524 1
255 . 1 . 1 33 33 DC H2'' H 1 2.271 0.001 . 1 . . 720 . A 33 DC H2'' . 34524 1
256 . 1 . 1 33 33 DC H3' H 1 4.608 . . 1 . . 779 . A 33 DC H3' . 34524 1
257 . 1 . 1 33 33 DC H5 H 1 5.131 0.004 . 1 . . 650 . A 33 DC H5 . 34524 1
258 . 1 . 1 33 33 DC H6 H 1 7.177 0.003 . 1 . . 629 . A 33 DC H6 . 34524 1
259 . 1 . 1 33 33 DC H41 H 1 7.959 0.002 . 1 . . 820 . A 33 DC H41 . 34524 1
260 . 1 . 1 33 33 DC H42 H 1 6.594 0.003 . 1 . . 817 . A 33 DC H42 . 34524 1
261 . 1 . 1 33 33 DC C6 C 13 141.906 . . 1 . . 1727 . A 33 DC C6 . 34524 1
262 . 1 . 1 34 34 DT H1' H 1 5.214 0.002 . 1 . . 626 . A 34 DT H1' . 34524 1
263 . 1 . 1 34 34 DT H2' H 1 1.868 0.001 . 1 . . 714 . A 34 DT H2' . 34524 1
264 . 1 . 1 34 34 DT H2'' H 1 2.033 0.003 . 1 . . 713 . A 34 DT H2'' . 34524 1
265 . 1 . 1 34 34 DT H3 H 1 13.655 0.002 . 1 . . 827 . A 34 DT H3 . 34524 1
266 . 1 . 1 34 34 DT H3' H 1 4.628 0.002 . 1 . . 777 . A 34 DT H3' . 34524 1
267 . 1 . 1 34 34 DT H6 H 1 7.165 0.001 . 1 . . 627 . A 34 DT H6 . 34524 1
268 . 1 . 1 34 34 DT H71 H 1 1.430 0.002 . 1 . . 831 . A 34 DT H71 . 34524 1
269 . 1 . 1 34 34 DT H72 H 1 1.430 0.002 . 1 . . 831 . A 34 DT H72 . 34524 1
270 . 1 . 1 34 34 DT H73 H 1 1.430 0.002 . 1 . . 831 . A 34 DT H73 . 34524 1
271 . 1 . 1 34 34 DT C6 C 13 139.623 . . 1 . . 1719 . A 34 DT C6 . 34524 1
272 . 1 . 1 35 35 DA H1' H 1 5.909 0.002 . 1 . . 623 . A 35 DA H1' . 34524 1
273 . 1 . 1 35 35 DA H2 H 1 7.445 0.001 . 1 . . 828 . A 35 DA H2 . 34524 1
274 . 1 . 1 35 35 DA H2' H 1 2.395 . . 1 . . 716 . A 35 DA H2' . 34524 1
275 . 1 . 1 35 35 DA H2'' H 1 2.610 0.002 . 1 . . 715 . A 35 DA H2'' . 34524 1
276 . 1 . 1 35 35 DA H3' H 1 4.852 0.007 . 1 . . 776 . A 35 DA H3' . 34524 1
277 . 1 . 1 35 35 DA H8 H 1 7.834 0.001 . 1 . . 625 . A 35 DA H8 . 34524 1
278 . 1 . 1 35 35 DA C8 C 13 141.768 . . 1 . . 1697 . A 35 DA C8 . 34524 1
279 . 1 . 1 36 36 DG H1' H 1 5.454 0.004 . 1 . . 624 . A 36 DG H1' . 34524 1
280 . 1 . 1 36 36 DG H2' H 1 2.377 0.004 . 1 . . 712 . A 36 DG H2' . 34524 1
281 . 1 . 1 36 36 DG H2'' H 1 2.274 0.0 . 1 . . 711 . A 36 DG H2'' . 34524 1
282 . 1 . 1 36 36 DG H3' H 1 4.602 0.001 . 1 . . 775 . A 36 DG H3' . 34524 1
283 . 1 . 1 36 36 DG H4' H 1 4.063 0.001 . 1 . . 838 . A 36 DG H4' . 34524 1
284 . 1 . 1 36 36 DG H8 H 1 7.261 0.002 . 1 . . 622 . A 36 DG H8 . 34524 1
285 . 1 . 1 36 36 DG C8 C 13 136.907 . . 1 . . 1716 . A 36 DG C8 . 34524 1
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