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 34665
_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' . . . 34665 1
2 '2D DQF-COSY' . . . 34665 1
3 '2D 1H-1H NOESY' . . . 34665 1
4 '2D 1H-1H TOCSY' . . . 34665 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 5.747 0.003 . 1 . . 717 . A 1 THM H1' . 34665 1
2 . 1 . 1 1 1 THM H2'1 H 1 2.017 0.003 . 1 . . 908 . A 1 THM H2'1 . 34665 1
3 . 1 . 1 1 1 THM H2'2 H 1 2.212 0.003 . 1 . . 714 . A 1 THM H2'2 . 34665 1
4 . 1 . 1 1 1 THM H3' H 1 4.432 0.001 . 1 . . 876 . A 1 THM H3' . 34665 1
5 . 1 . 1 1 1 THM H6 H 1 7.362 0.001 . 1 . . 713 . A 1 THM H6 . 34665 1
6 . 1 . 1 1 1 THM H71 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM51 . 34665 1
7 . 1 . 1 1 1 THM H72 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM52 . 34665 1
8 . 1 . 1 1 1 THM H73 H 1 1.623 0.001 . 1 . . 772 . A 1 THM HM53 . 34665 1
9 . 1 . 1 1 1 THM C6 C 13 139.328 . . 1 . . 849 . A 1 THM C6 . 34665 1
10 . 1 . 1 2 2 DT H1' H 1 5.732 0.002 . 1 . . 710 . A 2 DT H1' . 34665 1
11 . 1 . 1 2 2 DT H2' H 1 1.611 0.003 . 1 . . 715 . A 2 DT H2' . 34665 1
12 . 1 . 1 2 2 DT H2'' H 1 2.081 0.002 . 1 . . 716 . A 2 DT H2'' . 34665 1
13 . 1 . 1 2 2 DT H3' H 1 4.515 0.001 . 1 . . 875 . A 2 DT H3' . 34665 1
14 . 1 . 1 2 2 DT H6 H 1 7.106 0.001 . 1 . . 711 . A 2 DT H6 . 34665 1
15 . 1 . 1 2 2 DT H71 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H71 . 34665 1
16 . 1 . 1 2 2 DT H72 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H72 . 34665 1
17 . 1 . 1 2 2 DT H73 H 1 1.518 0.001 . 1 . . 712 . A 2 DT H73 . 34665 1
18 . 1 . 1 2 2 DT C6 C 13 138.874 . . 1 . . 844 . A 2 DT C6 . 34665 1
19 . 1 . 1 3 3 DA H1' H 1 5.726 0.005 . 1 . . 707 . A 3 DA H1' . 34665 1
20 . 1 . 1 3 3 DA H2 H 1 7.775 0.001 . 1 . . 758 . A 3 DA H2 . 34665 1
21 . 1 . 1 3 3 DA H2' H 1 2.528 0.002 . 1 . . 775 . A 3 DA H2' . 34665 1
22 . 1 . 1 3 3 DA H2'' H 1 2.601 0.0 . 1 . . 776 . A 3 DA H2'' . 34665 1
23 . 1 . 1 3 3 DA H3' H 1 4.820 . . 1 . . 870 . A 3 DA H3' . 34665 1
24 . 1 . 1 3 3 DA H8 H 1 7.977 0.001 . 1 . . 709 . A 3 DA H8 . 34665 1
25 . 1 . 1 3 3 DA C2 C 13 154.505 . . 1 . . 920 . A 3 DA C2 . 34665 1
26 . 1 . 1 3 3 DA C8 C 13 141.710 . . 1 . . 843 . A 3 DA C8 . 34665 1
27 . 1 . 1 4 4 DG H1 H 1 11.343 0.003 . 1 . . 756 . A 4 DG H1 . 34665 1
28 . 1 . 1 4 4 DG H1' H 1 5.956 0.002 . 1 . . 739 . A 4 DG H1' . 34665 1
29 . 1 . 1 4 4 DG H2' H 1 2.513 0.005 . 1 . . 910 . A 4 DG H2' . 34665 1
30 . 1 . 1 4 4 DG H2'' H 1 2.825 0.002 . 1 . . 740 . A 4 DG H2'' . 34665 1
31 . 1 . 1 4 4 DG H3' H 1 4.900 0.001 . 1 . . 873 . A 4 DG H3' . 34665 1
32 . 1 . 1 4 4 DG H8 H 1 7.837 0.001 . 1 . . 708 . A 4 DG H8 . 34665 1
33 . 1 . 1 4 4 DG C8 C 13 137.728 . . 1 . . 864 . A 4 DG C8 . 34665 1
34 . 1 . 1 5 5 DG H1 H 1 11.178 0.012 . 1 . . 757 . A 5 DG H1 . 34665 1
35 . 1 . 1 5 5 DG H1' H 1 5.980 0.002 . 1 . . 742 . A 5 DG H1' . 34665 1
36 . 1 . 1 5 5 DG H2' H 1 2.584 0.003 . 1 . . 911 . A 5 DG H2' . 34665 1
37 . 1 . 1 5 5 DG H2'' H 1 2.389 0.001 . 1 . . 912 . A 5 DG H2'' . 34665 1
38 . 1 . 1 5 5 DG H3' H 1 4.997 0.002 . 1 . . 874 . A 5 DG H3' . 34665 1
39 . 1 . 1 5 5 DG H8 H 1 7.493 0.001 . 1 . . 741 . A 5 DG H8 . 34665 1
40 . 1 . 1 5 5 DG C8 C 13 137.201 . . 1 . . 865 . A 5 DG C8 . 34665 1
41 . 1 . 1 6 6 DT H1' H 1 6.505 0.001 . 1 . . 733 . A 6 DT H1' . 34665 1
42 . 1 . 1 6 6 DT H2' H 1 2.479 . . 1 . . 789 . A 6 DT H2' . 34665 1
43 . 1 . 1 6 6 DT H2'' H 1 2.672 . . 1 . . 790 . A 6 DT H2'' . 34665 1
44 . 1 . 1 6 6 DT H3' H 1 5.083 0.001 . 1 . . 882 . A 6 DT H3' . 34665 1
45 . 1 . 1 6 6 DT H6 H 1 7.850 0.001 . 1 . . 732 . A 6 DT H6 . 34665 1
46 . 1 . 1 6 6 DT H71 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H71 . 34665 1
47 . 1 . 1 6 6 DT H72 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H72 . 34665 1
48 . 1 . 1 6 6 DT H73 H 1 1.989 0.0 . 1 . . 768 . A 6 DT H73 . 34665 1
49 . 1 . 1 6 6 DT C6 C 13 139.721 . . 1 . . 856 . A 6 DT C6 . 34665 1
50 . 1 . 1 7 7 DG H1 H 1 11.614 0.002 . 1 . . 760 . A 7 DG H1 . 34665 1
51 . 1 . 1 7 7 DG H1' H 1 6.083 0.001 . 1 . . 737 . A 7 DG H1' . 34665 1
52 . 1 . 1 7 7 DG H2' H 1 2.725 0.001 . 1 . . 783 . A 7 DG H2' . 34665 1
53 . 1 . 1 7 7 DG H2'' H 1 2.862 0.004 . 1 . . 784 . A 7 DG H2'' . 34665 1
54 . 1 . 1 7 7 DG H3' H 1 4.867 0.001 . 1 . . 879 . A 7 DG H3' . 34665 1
55 . 1 . 1 7 7 DG H8 H 1 8.129 0.001 . 1 . . 738 . A 7 DG H8 . 34665 1
56 . 1 . 1 7 7 DG C8 C 13 138.212 . . 1 . . 839 . A 7 DG C8 . 34665 1
57 . 1 . 1 8 8 DG H1 H 1 11.399 0.001 . 1 . . 759 . A 8 DG H1 . 34665 1
58 . 1 . 1 8 8 DG H1' H 1 6.188 0.002 . 1 . . 735 . A 8 DG H1' . 34665 1
59 . 1 . 1 8 8 DG H2' H 1 2.643 0.0 . 1 . . 796 . A 8 DG H2' . 34665 1
60 . 1 . 1 8 8 DG H2'' H 1 2.911 0.003 . 1 . . 795 . A 8 DG H2'' . 34665 1
61 . 1 . 1 8 8 DG H3' H 1 5.015 0.003 . 1 . . 883 . A 8 DG H3' . 34665 1
62 . 1 . 1 8 8 DG H8 H 1 7.779 0.003 . 1 . . 736 . A 8 DG H8 . 34665 1
63 . 1 . 1 8 8 DG C8 C 13 137.827 . . 1 . . 859 . A 8 DG C8 . 34665 1
64 . 1 . 1 9 9 DG H1 H 1 11.265 0.002 . 1 . . 761 . A 9 DG H1 . 34665 1
65 . 1 . 1 9 9 DG H1' H 1 6.386 0.002 . 1 . . 720 . A 9 DG H1' . 34665 1
66 . 1 . 1 9 9 DG H2' H 1 2.748 0.0 . 1 . . 786 . A 9 DG H2' . 34665 1
67 . 1 . 1 9 9 DG H2'' H 1 2.580 0.001 . 1 . . 785 . A 9 DG H2'' . 34665 1
68 . 1 . 1 9 9 DG H3' H 1 5.042 0.003 . 1 . . 881 . A 9 DG H3' . 34665 1
69 . 1 . 1 9 9 DG H8 H 1 7.931 0.002 . 1 . . 734 . A 9 DG H8 . 34665 1
70 . 1 . 1 9 9 DG C8 C 13 138.168 . . 1 . . 858 . A 9 DG C8 . 34665 1
71 . 1 . 1 10 10 DT H1' H 1 6.258 0.002 . 1 . . 670 . A 10 DT H1' . 34665 1
72 . 1 . 1 10 10 DT H2' H 1 2.240 0.004 . 1 . . 782 . A 10 DT H2' . 34665 1
73 . 1 . 1 10 10 DT H2'' H 1 2.469 0.001 . 1 . . 781 . A 10 DT H2'' . 34665 1
74 . 1 . 1 10 10 DT H3' H 1 4.755 0.001 . 1 . . 884 . A 10 DT H3' . 34665 1
75 . 1 . 1 10 10 DT H6 H 1 7.675 0.001 . 1 . . 671 . A 10 DT H6 . 34665 1
76 . 1 . 1 10 10 DT H71 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H71 . 34665 1
77 . 1 . 1 10 10 DT H72 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H72 . 34665 1
78 . 1 . 1 10 10 DT H73 H 1 1.951 0.001 . 1 . . 766 . A 10 DT H73 . 34665 1
79 . 1 . 1 10 10 DT C6 C 13 139.910 . . 1 . . 855 . A 10 DT C6 . 34665 1
80 . 1 . 1 11 11 DA H1' H 1 6.655 0.002 . 1 . . 719 . A 11 DA H1' . 34665 1
81 . 1 . 1 11 11 DA H2 H 1 8.361 0.001 . 1 . . 721 . A 11 DA H2 . 34665 1
82 . 1 . 1 11 11 DA H2' H 1 3.033 0.003 . 1 . . 780 . A 11 DA H2' . 34665 1
83 . 1 . 1 11 11 DA H2'' H 1 2.940 0.001 . 1 . . 779 . A 11 DA H2'' . 34665 1
84 . 1 . 1 11 11 DA H3' H 1 5.140 0.003 . 1 . . 869 . A 11 DA H3' . 34665 1
85 . 1 . 1 11 11 DA H8 H 1 8.549 0.001 . 1 . . 718 . A 11 DA H8 . 34665 1
86 . 1 . 1 11 11 DA C2 C 13 155.365 . . 1 . . 837 . A 11 DA C2 . 34665 1
87 . 1 . 1 11 11 DA C8 C 13 143.058 . . 1 . . 836 . A 11 DA C8 . 34665 1
88 . 1 . 1 12 12 DG H1 H 1 11.872 0.003 . 1 . . 755 . A 12 DG H1 . 34665 1
89 . 1 . 1 12 12 DG H1' H 1 6.135 0.002 . 1 . . 723 . A 12 DG H1' . 34665 1
90 . 1 . 1 12 12 DG H2' H 1 2.622 0.002 . 1 . . 777 . A 12 DG H2' . 34665 1
91 . 1 . 1 12 12 DG H2'' H 1 2.943 0.001 . 1 . . 778 . A 12 DG H2'' . 34665 1
92 . 1 . 1 12 12 DG H3' H 1 4.993 0.002 . 1 . . 872 . A 12 DG H3' . 34665 1
93 . 1 . 1 12 12 DG H8 H 1 8.027 0.001 . 1 . . 722 . A 12 DG H8 . 34665 1
94 . 1 . 1 12 12 DG C8 C 13 138.255 . . 1 . . 842 . A 12 DG C8 . 34665 1
95 . 1 . 1 13 13 DG H1 H 1 11.265 0.002 . 1 . . 762 . A 13 DG H1 . 34665 1
96 . 1 . 1 13 13 DG H1' H 1 6.245 0.002 . 1 . . 727 . A 13 DG H1' . 34665 1
97 . 1 . 1 13 13 DG H2' H 1 2.687 0.0 . 1 . . 794 . A 13 DG H2' . 34665 1
98 . 1 . 1 13 13 DG H2'' H 1 3.016 0.001 . 1 . . 793 . A 13 DG H2'' . 34665 1
99 . 1 . 1 13 13 DG H3' H 1 5.032 0.002 . 1 . . 886 . A 13 DG H3' . 34665 1
100 . 1 . 1 13 13 DG H8 H 1 7.836 0.002 . 1 . . 726 . A 13 DG H8 . 34665 1
101 . 1 . 1 13 13 DG C8 C 13 137.726 . . 1 . . 863 . A 13 DG C8 . 34665 1
102 . 1 . 1 14 14 DG H1 H 1 11.113 0.005 . 1 . . 763 . A 14 DG H1 . 34665 1
103 . 1 . 1 14 14 DG H1' H 1 6.450 0.002 . 1 . . 729 . A 14 DG H1' . 34665 1
104 . 1 . 1 14 14 DG H2' H 1 2.731 0.003 . 1 . . 788 . A 14 DG H2' . 34665 1
105 . 1 . 1 14 14 DG H2'' H 1 2.581 0.002 . 1 . . 787 . A 14 DG H2'' . 34665 1
106 . 1 . 1 14 14 DG H3' H 1 5.153 0.0 . 1 . . 885 . A 14 DG H3' . 34665 1
107 . 1 . 1 14 14 DG H4' H 1 4.585 0.001 . 1 . . 918 . A 14 DG H4' . 34665 1
108 . 1 . 1 14 14 DG H8 H 1 7.877 0.002 . 1 . . 728 . A 14 DG H8 . 34665 1
109 . 1 . 1 14 14 DG C8 C 13 138.124 . . 1 . . 862 . A 14 DG C8 . 34665 1
110 . 1 . 1 15 15 DT H1' H 1 6.418 0.001 . 1 . . 731 . A 15 DT H1' . 34665 1
111 . 1 . 1 15 15 DT H2' H 1 2.413 . . 1 . . 791 . A 15 DT H2' . 34665 1
112 . 1 . 1 15 15 DT H2'' H 1 2.634 0.0 . 1 . . 792 . A 15 DT H2'' . 34665 1
113 . 1 . 1 15 15 DT H3' H 1 5.005 0.0 . 1 . . 880 . A 15 DT H3' . 34665 1
114 . 1 . 1 15 15 DT H6 H 1 7.826 0.0 . 1 . . 730 . A 15 DT H6 . 34665 1
115 . 1 . 1 15 15 DT H71 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H71 . 34665 1
116 . 1 . 1 15 15 DT H72 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H72 . 34665 1
117 . 1 . 1 15 15 DT H73 H 1 1.953 0.0 . 1 . . 767 . A 15 DT H73 . 34665 1
118 . 1 . 1 15 15 DT C6 C 13 139.980 . . 1 . . 857 . A 15 DT C6 . 34665 1
119 . 1 . 1 16 16 DG H1 H 1 11.263 0.002 . 1 . . 765 . A 16 DG H1 . 34665 1
120 . 1 . 1 16 16 DG H1' H 1 6.022 0.002 . 1 . . 744 . A 16 DG H1' . 34665 1
121 . 1 . 1 16 16 DG H2' H 1 2.399 0.002 . 1 . . 798 . A 16 DG H2' . 34665 1
122 . 1 . 1 16 16 DG H2'' H 1 2.797 0.002 . 1 . . 797 . A 16 DG H2'' . 34665 1
123 . 1 . 1 16 16 DG H3' H 1 5.033 0.004 . 1 . . 887 . A 16 DG H3' . 34665 1
124 . 1 . 1 16 16 DG H8 H 1 7.872 0.001 . 1 . . 743 . A 16 DG H8 . 34665 1
125 . 1 . 1 16 16 DG C8 C 13 137.632 . . 1 . . 861 . A 16 DG C8 . 34665 1
126 . 1 . 1 17 17 DG H1 H 1 11.003 0.002 . 1 . . 764 . A 17 DG H1 . 34665 1
127 . 1 . 1 17 17 DG H1' H 1 5.965 0.003 . 1 . . 746 . A 17 DG H1' . 34665 1
128 . 1 . 1 17 17 DG H2' H 1 2.602 0.002 . 1 . . 799 . A 17 DG H2' . 34665 1
129 . 1 . 1 17 17 DG H2'' H 1 2.806 . . 1 . . 800 . A 17 DG H2'' . 34665 1
130 . 1 . 1 17 17 DG H3' H 1 5.052 0.005 . 1 . . 888 . A 17 DG H3' . 34665 1
131 . 1 . 1 17 17 DG H8 H 1 7.770 0.001 . 1 . . 745 . A 17 DG H8 . 34665 1
132 . 1 . 1 17 17 DG C8 C 13 137.821 . . 1 . . 860 . A 17 DG C8 . 34665 1
133 . 1 . 1 18 18 DG H1 H 1 9.887 0.005 . 1 . . 906 . A 18 DG H1 . 34665 1
134 . 1 . 1 18 18 DG H1' H 1 5.928 0.0 . 1 . . 700 . A 18 DG H1' . 34665 1
135 . 1 . 1 18 18 DG H2' H 1 2.626 0.003 . 1 . . 913 . A 18 DG H2' . 34665 1
136 . 1 . 1 18 18 DG H2'' H 1 2.785 . . 1 . . 914 . A 18 DG H2'' . 34665 1
137 . 1 . 1 18 18 DG H8 H 1 7.450 0.002 . 1 . . 889 . A 18 DG H8 . 34665 1
138 . 1 . 1 19 19 DC H1' H 1 5.873 0.001 . 1 . . 747 . A 19 DC H1' . 34665 1
139 . 1 . 1 19 19 DC H5 H 1 5.719 0.001 . 1 . . 748 . A 19 DC H5 . 34665 1
140 . 1 . 1 19 19 DC H6 H 1 7.586 0.004 . 1 . . 704 . A 19 DC H6 . 34665 1
141 . 1 . 1 19 19 DC C6 C 13 143.312 . . 1 . . 705 . A 19 DC C6 . 34665 1
142 . 1 . 1 20 20 DT H1' H 1 5.386 0.002 . 1 . . 686 . A 20 DT H1' . 34665 1
143 . 1 . 1 20 20 DT H2' H 1 2.038 0.002 . 1 . . 808 . A 20 DT H2' . 34665 1
144 . 1 . 1 20 20 DT H2'' H 1 2.288 0.002 . 1 . . 807 . A 20 DT H2'' . 34665 1
145 . 1 . 1 20 20 DT H3' H 1 4.804 0.003 . 1 . . 890 . A 20 DT H3' . 34665 1
146 . 1 . 1 20 20 DT H6 H 1 7.281 0.002 . 1 . . 685 . A 20 DT H6 . 34665 1
147 . 1 . 1 20 20 DT H71 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H71 . 34665 1
148 . 1 . 1 20 20 DT H72 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H72 . 34665 1
149 . 1 . 1 20 20 DT H73 H 1 1.575 0.003 . 1 . . 919 . A 20 DT H73 . 34665 1
150 . 1 . 1 20 20 DT C6 C 13 139.259 . . 1 . . 851 . A 20 DT C6 . 34665 1
151 . 1 . 1 21 21 DA H1' H 1 5.992 0.003 . 1 . . 688 . A 21 DA H1' . 34665 1
152 . 1 . 1 21 21 DA H2' H 1 2.766 0.001 . 1 . . 809 . A 21 DA H2' . 34665 1
153 . 1 . 1 21 21 DA H2'' H 1 2.866 0.003 . 1 . . 810 . A 21 DA H2'' . 34665 1
154 . 1 . 1 21 21 DA H3' H 1 5.002 0.002 . 1 . . 891 . A 21 DA H3' . 34665 1
155 . 1 . 1 21 21 DA H8 H 1 8.207 0.001 . 1 . . 687 . A 21 DA H8 . 34665 1
156 . 1 . 1 21 21 DA C8 C 13 141.661 . . 1 . . 838 . A 21 DA C8 . 34665 1
157 . 1 . 1 22 22 DG H1 H 1 12.613 0.002 . 1 . . 751 . A 22 DG H1 . 34665 1
158 . 1 . 1 22 22 DG H1' H 1 5.744 0.002 . 1 . . 692 . A 22 DG H1' . 34665 1
159 . 1 . 1 22 22 DG H2' H 1 2.391 0.004 . 1 . . 816 . A 22 DG H2' . 34665 1
160 . 1 . 1 22 22 DG H2'' H 1 2.624 0.001 . 1 . . 815 . A 22 DG H2'' . 34665 1
161 . 1 . 1 22 22 DG H3' H 1 4.782 0.0 . 1 . . 893 . A 22 DG H3' . 34665 1
162 . 1 . 1 22 22 DG H8 H 1 7.525 0.002 . 1 . . 691 . A 22 DG H8 . 34665 1
163 . 1 . 1 22 22 DG C8 C 13 136.931 . . 1 . . 854 . A 22 DG C8 . 34665 1
164 . 1 . 1 23 23 DT H1' H 1 5.873 0.001 . 1 . . 690 . A 23 DT H1' . 34665 1
165 . 1 . 1 23 23 DT H2' H 1 1.943 0.002 . 1 . . 817 . A 23 DT H2' . 34665 1
166 . 1 . 1 23 23 DT H2'' H 1 2.351 0.001 . 1 . . 813 . A 23 DT H2'' . 34665 1
167 . 1 . 1 23 23 DT H3 H 1 13.563 0.003 . 1 . . 754 . A 23 DT H3 . 34665 1
168 . 1 . 1 23 23 DT H3' H 1 4.752 0.0 . 1 . . 892 . A 23 DT H3' . 34665 1
169 . 1 . 1 23 23 DT H6 H 1 7.120 0.001 . 1 . . 672 . A 23 DT H6 . 34665 1
170 . 1 . 1 23 23 DT H71 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H71 . 34665 1
171 . 1 . 1 23 23 DT H72 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H72 . 34665 1
172 . 1 . 1 23 23 DT H73 H 1 1.219 0.003 . 1 . . 770 . A 23 DT H73 . 34665 1
173 . 1 . 1 23 23 DT C6 C 13 138.243 . . 1 . . 845 . A 23 DT C6 . 34665 1
174 . 1 . 1 24 24 DC H1' H 1 5.593 0.001 . 1 . . 677 . A 24 DC H1' . 34665 1
175 . 1 . 1 24 24 DC H2' H 1 1.732 0.002 . 1 . . 818 . A 24 DC H2' . 34665 1
176 . 1 . 1 24 24 DC H2'' H 1 2.194 0.002 . 1 . . 819 . A 24 DC H2'' . 34665 1
177 . 1 . 1 24 24 DC H3' H 1 4.744 0.003 . 1 . . 894 . A 24 DC H3' . 34665 1
178 . 1 . 1 24 24 DC H5 H 1 5.588 0.001 . 1 . . 668 . A 24 DC H5 . 34665 1
179 . 1 . 1 24 24 DC H6 H 1 7.302 0.002 . 1 . . 669 . A 24 DC H6 . 34665 1
180 . 1 . 1 24 24 DC H41 H 1 6.854 0.003 . 1 . . 667 . A 24 DC H41 . 34665 1
181 . 1 . 1 24 24 DC H42 H 1 8.482 0.002 . 1 . . 749 . A 24 DC H42 . 34665 1
182 . 1 . 1 24 24 DC C6 C 13 143.309 . . 1 . . 834 . A 24 DC C6 . 34665 1
183 . 1 . 1 25 25 DA H1' H 1 6.170 0.002 . 1 . . 679 . A 25 DA H1' . 34665 1
184 . 1 . 1 25 25 DA H2 H 1 7.881 0.001 . 1 . . 752 . A 25 DA H2 . 34665 1
185 . 1 . 1 25 25 DA H2' H 1 2.699 0.004 . 1 . . 823 . A 25 DA H2' . 34665 1
186 . 1 . 1 25 25 DA H2'' H 1 2.532 0.002 . 1 . . 822 . A 25 DA H2'' . 34665 1
187 . 1 . 1 25 25 DA H3' H 1 4.960 0.003 . 1 . . 897 . A 25 DA H3' . 34665 1
188 . 1 . 1 25 25 DA H8 H 1 8.146 0.002 . 1 . . 678 . A 25 DA H8 . 34665 1
189 . 1 . 1 25 25 DA C2 C 13 155.001 . . 1 . . 916 . A 25 DA C2 . 34665 1
190 . 1 . 1 25 25 DA C8 C 13 141.859 . . 1 . . 841 . A 25 DA C8 . 34665 1
191 . 1 . 1 26 26 DT H1' H 1 6.013 0.002 . 1 . . 695 . A 26 DT H1' . 34665 1
192 . 1 . 1 26 26 DT H2' H 1 2.067 0.001 . 1 . . 820 . A 26 DT H2' . 34665 1
193 . 1 . 1 26 26 DT H2'' H 1 2.322 0.002 . 1 . . 821 . A 26 DT H2'' . 34665 1
194 . 1 . 1 26 26 DT H3' H 1 4.670 0.001 . 1 . . 896 . A 26 DT H3' . 34665 1
195 . 1 . 1 26 26 DT H6 H 1 7.519 0.002 . 1 . . 693 . A 26 DT H6 . 34665 1
196 . 1 . 1 26 26 DT H71 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H71 . 34665 1
197 . 1 . 1 26 26 DT H72 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H72 . 34665 1
198 . 1 . 1 26 26 DT H73 H 1 1.774 0.004 . 1 . . 769 . A 26 DT H73 . 34665 1
199 . 1 . 1 26 26 DT C6 C 13 139.180 . . 1 . . 852 . A 26 DT C6 . 34665 1
200 . 1 . 1 27 27 DT H1' H 1 5.719 0.002 . 1 . . 696 . A 27 DT H1' . 34665 1
201 . 1 . 1 27 27 DT H2' H 1 1.928 0.002 . 1 . . 824 . A 27 DT H2' . 34665 1
202 . 1 . 1 27 27 DT H2'' H 1 2.183 0.001 . 1 . . 825 . A 27 DT H2'' . 34665 1
203 . 1 . 1 27 27 DT H3' H 1 4.595 0.002 . 1 . . 895 . A 27 DT H3' . 34665 1
204 . 1 . 1 27 27 DT H6 H 1 7.320 0.002 . 1 . . 694 . A 27 DT H6 . 34665 1
205 . 1 . 1 27 27 DT H71 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H71 . 34665 1
206 . 1 . 1 27 27 DT H72 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H72 . 34665 1
207 . 1 . 1 27 27 DT H73 H 1 1.587 0.002 . 1 . . 773 . A 27 DT H73 . 34665 1
208 . 1 . 1 27 27 DT C6 C 13 139.219 . . 1 . . 847 . A 27 DT C6 . 34665 1
209 . 1 . 1 28 28 DT H1' H 1 5.962 0.002 . 1 . . 629 . A 28 DT H1' . 34665 1
210 . 1 . 1 28 28 DT H2' H 1 2.155 . . 1 . . 826 . A 28 DT H2' . 34665 1
211 . 1 . 1 28 28 DT H2'' H 1 2.366 0.0 . 1 . . 827 . A 28 DT H2'' . 34665 1
212 . 1 . 1 28 28 DT H3' H 1 4.691 0.001 . 1 . . 898 . A 28 DT H3' . 34665 1
213 . 1 . 1 28 28 DT H6 H 1 7.386 0.006 . 1 . . 701 . A 28 DT H6 . 34665 1
214 . 1 . 1 28 28 DT H71 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H71 . 34665 1
215 . 1 . 1 28 28 DT H72 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H72 . 34665 1
216 . 1 . 1 28 28 DT H73 H 1 1.610 0.001 . 1 . . 774 . A 28 DT H73 . 34665 1
217 . 1 . 1 28 28 DT C6 C 13 139.367 . . 1 . . 850 . A 28 DT C6 . 34665 1
218 . 1 . 1 29 29 DT H1' H 1 5.718 0.003 . 1 . . 698 . A 29 DT H1' . 34665 1
219 . 1 . 1 29 29 DT H2' H 1 2.081 0.003 . 1 . . 829 . A 29 DT H2' . 34665 1
220 . 1 . 1 29 29 DT H2'' H 1 2.398 0.003 . 1 . . 828 . A 29 DT H2'' . 34665 1
221 . 1 . 1 29 29 DT H3' H 1 4.677 0.001 . 1 . . 899 . A 29 DT H3' . 34665 1
222 . 1 . 1 29 29 DT H6 H 1 7.355 0.002 . 1 . . 699 . A 29 DT H6 . 34665 1
223 . 1 . 1 29 29 DT H71 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H71 . 34665 1
224 . 1 . 1 29 29 DT H72 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H72 . 34665 1
225 . 1 . 1 29 29 DT H73 H 1 1.800 0.0 . 1 . . 771 . A 29 DT H73 . 34665 1
226 . 1 . 1 29 29 DT C6 C 13 139.278 . . 1 . . 848 . A 29 DT C6 . 34665 1
227 . 1 . 1 30 30 DG H1 H 1 12.604 0.003 . 1 . . 750 . A 30 DG H1 . 34665 1
228 . 1 . 1 30 30 DG H1' H 1 5.530 0.001 . 1 . . 675 . A 30 DG H1' . 34665 1
229 . 1 . 1 30 30 DG H2' H 1 2.645 0.001 . 1 . . 811 . A 30 DG H2' . 34665 1
230 . 1 . 1 30 30 DG H2'' H 1 2.731 0.004 . 1 . . 812 . A 30 DG H2'' . 34665 1
231 . 1 . 1 30 30 DG H3' H 1 4.946 0.001 . 1 . . 900 . A 30 DG H3' . 34665 1
232 . 1 . 1 30 30 DG H8 H 1 7.891 0.002 . 1 . . 697 . A 30 DG H8 . 34665 1
233 . 1 . 1 30 30 DG C8 C 13 138.125 . . 1 . . 853 . A 30 DG C8 . 34665 1
234 . 1 . 1 31 31 DA H1' H 1 6.192 0.004 . 1 . . 680 . A 31 DA H1' . 34665 1
235 . 1 . 1 31 31 DA H2 H 1 7.767 0.0 . 1 . . 753 . A 31 DA H2 . 34665 1
236 . 1 . 1 31 31 DA H2' H 1 2.637 0.001 . 1 . . 831 . A 31 DA H2' . 34665 1
237 . 1 . 1 31 31 DA H2'' H 1 2.829 0.001 . 1 . . 814 . A 31 DA H2'' . 34665 1
238 . 1 . 1 31 31 DA H3' H 1 4.965 0.003 . 1 . . 901 . A 31 DA H3' . 34665 1
239 . 1 . 1 31 31 DA H8 H 1 8.155 0.002 . 1 . . 676 . A 31 DA H8 . 34665 1
240 . 1 . 1 31 31 DA C2 C 13 154.887 . . 1 . . 915 . A 31 DA C2 . 34665 1
241 . 1 . 1 31 31 DA C8 C 13 141.866 . . 1 . . 840 . A 31 DA C8 . 34665 1
242 . 1 . 1 32 32 DC H1' H 1 5.682 0.002 . 1 . . 681 . A 32 DC H1' . 34665 1
243 . 1 . 1 32 32 DC H2' H 1 1.765 0.002 . 1 . . 805 . A 32 DC H2' . 34665 1
244 . 1 . 1 32 32 DC H2'' H 1 2.263 0.0 . 1 . . 806 . A 32 DC H2'' . 34665 1
245 . 1 . 1 32 32 DC H3' H 1 4.597 0.002 . 1 . . 902 . A 32 DC H3' . 34665 1
246 . 1 . 1 32 32 DC H5 H 1 5.108 0.002 . 1 . . 673 . A 32 DC H5 . 34665 1
247 . 1 . 1 32 32 DC H6 H 1 7.154 0.001 . 1 . . 674 . A 32 DC H6 . 34665 1
248 . 1 . 1 32 32 DC H41 H 1 7.922 0.002 . 1 . . 724 . A 32 DC H41 . 34665 1
249 . 1 . 1 32 32 DC H42 H 1 6.487 0.001 . 1 . . 725 . A 32 DC H42 . 34665 1
250 . 1 . 1 32 32 DC C6 C 13 141.648 . . 1 . . 835 . A 32 DC C6 . 34665 1
251 . 1 . 1 33 33 DT H1' H 1 5.220 0.007 . 1 . . 702 . A 33 DT H1' . 34665 1
252 . 1 . 1 33 33 DT H2' H 1 1.800 0.003 . 1 . . 803 . A 33 DT H2' . 34665 1
253 . 1 . 1 33 33 DT H2'' H 1 1.992 0.003 . 1 . . 802 . A 33 DT H2'' . 34665 1
254 . 1 . 1 33 33 DT H3' H 1 4.634 0.003 . 1 . . 903 . A 33 DT H3' . 34665 1
255 . 1 . 1 33 33 DT H6 H 1 7.138 0.005 . 1 . . 682 . A 33 DT H6 . 34665 1
256 . 1 . 1 33 33 DT H71 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H71 . 34665 1
257 . 1 . 1 33 33 DT H72 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H72 . 34665 1
258 . 1 . 1 33 33 DT H73 H 1 1.401 0.001 . 1 . . 804 . A 33 DT H73 . 34665 1
259 . 1 . 1 33 33 DT C6 C 13 139.338 . . 1 . . 846 . A 33 DT C6 . 34665 1
260 . 1 . 1 34 34 DA H1' H 1 5.644 0.006 . 1 . . 833 . A 34 DA H1' . 34665 1
261 . 1 . 1 34 34 DA H2' H 1 2.414 0.005 . 1 . . 907 . A 34 DA H2' . 34665 1
262 . 1 . 1 34 34 DA H2'' H 1 2.340 0.002 . 1 . . 832 . A 34 DA H2'' . 34665 1
263 . 1 . 1 34 34 DA H3' H 1 4.783 0.005 . 1 . . 904 . A 34 DA H3' . 34665 1
264 . 1 . 1 34 34 DA H8 H 1 7.703 0.002 . 1 . . 703 . A 34 DA H8 . 34665 1
265 . 1 . 1 34 34 DA C8 C 13 141.186 . . 1 . . 706 . A 34 DA C8 . 34665 1
266 . 1 . 1 35 35 DG H1' H 1 5.948 0.0 . 1 . . 1006 . A 35 DG H1' . 34665 1
267 . 1 . 1 35 35 DG H2' H 1 2.005 0.003 . 1 . . 1007 . A 35 DG H2' . 34665 1
268 . 1 . 1 35 35 DG H2'' H 1 2.400 0.0 . 1 . . 1008 . A 35 DG H2'' . 34665 1
269 . 1 . 1 35 35 DG H8 H 1 7.186 0.002 . 1 . . 905 . A 35 DG H8 . 34665 1
270 . 1 . 1 36 36 DG H1' H 1 6.174 0.003 . 1 . . 878 . A 36 DG H1' . 34665 1
271 . 1 . 1 36 36 DG H2' H 1 2.263 . . 1 . . 1005 . A 36 DG H2' . 34665 1
272 . 1 . 1 36 36 DG H2'' H 1 3.191 0.001 . 1 . . 917 . A 36 DG H2'' . 34665 1
273 . 1 . 1 36 36 DG H8 H 1 7.204 0.003 . 1 . . 877 . A 36 DG H8 . 34665 1
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