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 34331
_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-1H NOESY' . . . 34331 1
2 '2D 1H-1H TOCSY' . . . 34331 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 H6 H 1 7.50 0.0003 . 1 . . . . A 1 DT H6 . 34331 1
2 . 1 1 1 1 DT H1' H 1 6.08 0.0007 . 1 . . . . A 1 DT H1' . 34331 1
3 . 1 1 1 1 DT H3' H 1 4.46 0.0026 . 1 . . . . A 1 DT H3' . 34331 1
4 . 1 1 1 1 DT H71 H 1 1.51 0.0016 . 3 . . . . A 1 DT H71 . 34331 1
5 . 1 1 1 1 DT H72 H 1 1.51 0.0016 . 3 . . . . A 1 DT H72 . 34331 1
6 . 1 1 1 1 DT H73 H 1 1.51 0.0016 . 3 . . . . A 1 DT H73 . 34331 1
7 . 1 1 1 1 DT H2' H 1 1.97 0.0026 . 1 . . . . A 1 DT H2' . 34331 1
8 . 1 1 1 1 DT H2'' H 1 2.15 0.0189 . 1 . . . . A 1 DT H2'' . 34331 1
9 . 1 1 2 2 DT H3 H 1 13.84 0.0019 . 1 . . . . A 2 DT H3 . 34331 1
10 . 1 1 2 2 DT H6 H 1 7.24 0.0008 . 1 . . . . A 2 DT H6 . 34331 1
11 . 1 1 2 2 DT H1' H 1 5.52 0.0015 . 1 . . . . A 2 DT H1' . 34331 1
12 . 1 1 2 2 DT H71 H 1 0.98 0.0015 . 3 . . . . A 2 DT H71 . 34331 1
13 . 1 1 2 2 DT H72 H 1 0.98 0.0015 . 3 . . . . A 2 DT H72 . 34331 1
14 . 1 1 2 2 DT H73 H 1 0.98 0.0015 . 3 . . . . A 2 DT H73 . 34331 1
15 . 1 1 2 2 DT H3' H 1 4.59 0.0003 . 1 . . . . A 2 DT H3' . 34331 1
16 . 1 1 2 2 DT H2' H 1 2.13 0.0050 . 1 . . . . A 2 DT H2' . 34331 1
17 . 1 1 2 2 DT H2'' H 1 2.19 0.0015 . 1 . . . . A 2 DT H2'' . 34331 1
18 . 1 1 3 3 DG H4' H 1 4.20 0.0009 . 1 . . . . A 3 DG H4' . 34331 1
19 . 1 1 3 3 DG H8 H 1 8.02 0.0053 . 1 . . . . A 3 DG H8 . 34331 1
20 . 1 1 3 3 DG H1' H 1 5.83 0.0007 . 1 . . . . A 3 DG H1' . 34331 1
21 . 1 1 3 3 DG H2' H 1 2.60 0.0045 . 1 . . . . A 3 DG H2' . 34331 1
22 . 1 1 3 3 DG H2'' H 1 2.77 0.0032 . 1 . . . . A 3 DG H2'' . 34331 1
23 . 1 1 3 3 DG H1 H 1 10.56 0.0010 . 1 . . . . A 3 DG H1 . 34331 1
24 . 1 1 4 4 DG H22 H 1 8.65 0.0022 . 1 . . . . A 4 DG H22 . 34331 1
25 . 1 1 4 4 DG H21 H 1 5.56 0.0017 . 1 . . . . A 4 DG H21 . 34331 1
26 . 1 1 4 4 DG H8 H 1 7.95 0.0032 . 1 . . . . A 4 DG H8 . 34331 1
27 . 1 1 4 4 DG H1' H 1 5.57 0.0012 . 1 . . . . A 4 DG H1' . 34331 1
28 . 1 1 4 4 DG H2' H 1 2.37 0.0005 . 1 . . . . A 4 DG H2' . 34331 1
29 . 1 1 4 4 DG H2'' H 1 2.55 0.0021 . 1 . . . . A 4 DG H2'' . 34331 1
30 . 1 1 4 4 DG H1 H 1 11.31 0.0007 . 1 . . . . A 4 DG H1 . 34331 1
31 . 1 1 5 5 DG H3' H 1 4.21 0.0041 . 1 . . . . A 5 DG H3' . 34331 1
32 . 1 1 5 5 DG H22 H 1 9.96 0.0020 . 1 . . . . A 5 DG H22 . 34331 1
33 . 1 1 5 5 DG H21 H 1 6.01 0.0026 . 1 . . . . A 5 DG H21 . 34331 1
34 . 1 1 5 5 DG H1 H 1 11.36 0.0008 . 1 . . . . A 5 DG H1 . 34331 1
35 . 1 1 5 5 DG H8 H 1 7.74 0.0021 . 1 . . . . A 5 DG H8 . 34331 1
36 . 1 1 5 5 DG H1' H 1 5.40 0.0035 . 1 . . . . A 5 DG H1' . 34331 1
37 . 1 1 5 5 DG H2' H 1 1.86 0.0014 . 1 . . . . A 5 DG H2' . 34331 1
38 . 1 1 5 5 DG H2'' H 1 2.36 0.0037 . 1 . . . . A 5 DG H2'' . 34331 1
39 . 1 1 6 6 DT H3' H 1 4.27 0.0008 . 1 . . . . A 6 DT H3' . 34331 1
40 . 1 1 6 6 DT H6 H 1 7.84 0.0004 . 1 . . . . A 6 DT H6 . 34331 1
41 . 1 1 6 6 DT H1' H 1 5.98 0.0021 . 1 . . . . A 6 DT H1' . 34331 1
42 . 1 1 6 6 DT H2' H 1 1.63 0.0004 . 1 . . . . A 6 DT H2' . 34331 1
43 . 1 1 6 6 DT H2'' H 1 2.75 0.0028 . 1 . . . . A 6 DT H2'' . 34331 1
44 . 1 1 6 6 DT H71 H 1 1.85 0.0000 . 3 . . . . A 6 DT H71 . 34331 1
45 . 1 1 6 6 DT H72 H 1 1.85 0.0000 . 3 . . . . A 6 DT H72 . 34331 1
46 . 1 1 6 6 DT H73 H 1 1.85 0.0000 . 3 . . . . A 6 DT H73 . 34331 1
47 . 1 1 7 7 DT H3 H 1 12.39 0.0017 . 1 . . . . A 7 DT H3 . 34331 1
48 . 1 1 7 7 DT H6 H 1 7.59 0.0007 . 1 . . . . A 7 DT H6 . 34331 1
49 . 1 1 7 7 DT H1' H 1 5.96 0.0068 . 1 . . . . A 7 DT H1' . 34331 1
50 . 1 1 7 7 DT H3' H 1 4.44 0.0027 . 1 . . . . A 7 DT H3' . 34331 1
51 . 1 1 7 7 DT H2' H 1 1.79 0.0011 . 1 . . . . A 7 DT H2' . 34331 1
52 . 1 1 7 7 DT H2'' H 1 1.91 0.0033 . 1 . . . . A 7 DT H2'' . 34331 1
53 . 1 1 7 7 DT H71 H 1 1.67 0.0058 . 3 . . . . A 7 DT H71 . 34331 1
54 . 1 1 7 7 DT H72 H 1 1.67 0.0058 . 3 . . . . A 7 DT H72 . 34331 1
55 . 1 1 7 7 DT H73 H 1 1.67 0.0058 . 3 . . . . A 7 DT H73 . 34331 1
56 . 1 1 8 8 DA H8 H 1 7.26 0.0020 . 1 . . . . A 8 DA H8 . 34331 1
57 . 1 1 8 8 DA H1' H 1 5.60 0.0013 . 1 . . . . A 8 DA H1' . 34331 1
58 . 1 1 8 8 DA H2 H 1 7.08 0.0136 . 1 . . . . A 8 DA H2 . 34331 1
59 . 1 1 8 8 DA H3' H 1 4.35 0.0005 . 1 . . . . A 8 DA H3' . 34331 1
60 . 1 1 8 8 DA H2' H 1 1.44 0.0014 . 1 . . . . A 8 DA H2' . 34331 1
61 . 1 1 8 8 DA H2'' H 1 2.29 0.0037 . 1 . . . . A 8 DA H2'' . 34331 1
62 . 1 1 9 9 DG H3' H 1 4.61 0.0006 . 1 . . . . A 9 DG H3' . 34331 1
63 . 1 1 9 9 DG H2' H 1 2.73 0.0007 . 1 . . . . A 9 DG H2' . 34331 1
64 . 1 1 9 9 DG H2'' H 1 3.01 0.0013 . 1 . . . . A 9 DG H2'' . 34331 1
65 . 1 1 9 9 DG H8 H 1 7.37 0.0025 . 1 . . . . A 9 DG H8 . 34331 1
66 . 1 1 9 9 DG H1' H 1 5.86 0.0020 . 1 . . . . A 9 DG H1' . 34331 1
67 . 1 1 9 9 DG H1 H 1 10.91 0.0010 . 1 . . . . A 9 DG H1 . 34331 1
68 . 1 1 10 10 8OG H2' H 1 2.75 0.0000 . 1 . . . . A 10 8OG H2' . 34331 1
69 . 1 1 10 10 8OG H2'' H 1 2.45 0.0000 . 1 . . . . A 10 8OG H2'' . 34331 1
70 . 1 1 10 10 8OG H7 H 1 11.10 0.0011 . 1 . . . . A 10 8OG H7 . 34331 1
71 . 1 1 10 10 8OG H1 H 1 11.20 0.0007 . 1 . . . . A 10 8OG H1 . 34331 1
72 . 1 1 10 10 8OG H1' H 1 5.52 0.0013 . 1 . . . . A 10 8OG H1' . 34331 1
73 . 1 1 11 11 DG H22 H 1 9.00 0.0019 . 1 . . . . A 11 DG H22 . 34331 1
74 . 1 1 11 11 DG H21 H 1 6.60 0.0001 . 1 . . . . A 11 DG H21 . 34331 1
75 . 1 1 11 11 DG H3' H 1 5.00 0.0016 . 1 . . . . A 11 DG H3' . 34331 1
76 . 1 1 11 11 DG H2' H 1 2.05 0.0025 . 1 . . . . A 11 DG H2' . 34331 1
77 . 1 1 11 11 DG H2'' H 1 2.97 0.0012 . 1 . . . . A 11 DG H2'' . 34331 1
78 . 1 1 11 11 DG H8 H 1 7.67 0.0009 . 1 . . . . A 11 DG H8 . 34331 1
79 . 1 1 11 11 DG H1' H 1 5.79 0.0006 . 1 . . . . A 11 DG H1' . 34331 1
80 . 1 1 11 11 DG H1 H 1 10.65 0.0009 . 1 . . . . A 11 DG H1 . 34331 1
81 . 1 1 12 12 DT H71 H 1 1.70 0.0016 . 3 . . . . A 12 DT H71 . 34331 1
82 . 1 1 12 12 DT H72 H 1 1.70 0.0016 . 3 . . . . A 12 DT H72 . 34331 1
83 . 1 1 12 12 DT H73 H 1 1.70 0.0016 . 3 . . . . A 12 DT H73 . 34331 1
84 . 1 1 12 12 DT H3' H 1 4.48 0.0013 . 1 . . . . A 12 DT H3' . 34331 1
85 . 1 1 12 12 DT H2' H 1 2.12 0.0016 . 1 . . . . A 12 DT H2' . 34331 1
86 . 1 1 12 12 DT H2'' H 1 2.32 0.0028 . 1 . . . . A 12 DT H2'' . 34331 1
87 . 1 1 12 12 DT H1' H 1 5.93 0.0016 . 1 . . . . A 12 DT H1' . 34331 1
88 . 1 1 12 12 DT H6 H 1 7.52 0.0008 . 1 . . . . A 12 DT H6 . 34331 1
89 . 1 1 13 13 DT H3' H 1 4.49 0.0012 . 1 . . . . A 13 DT H3' . 34331 1
90 . 1 1 13 13 DT H2' H 1 0.99 0.0027 . 1 . . . . A 13 DT H2' . 34331 1
91 . 1 1 13 13 DT H2'' H 1 1.83 0.0012 . 1 . . . . A 13 DT H2'' . 34331 1
92 . 1 1 13 13 DT H71 H 1 1.19 0.0024 . 3 . . . . A 13 DT H71 . 34331 1
93 . 1 1 13 13 DT H72 H 1 1.19 0.0024 . 3 . . . . A 13 DT H72 . 34331 1
94 . 1 1 13 13 DT H73 H 1 1.19 0.0024 . 3 . . . . A 13 DT H73 . 34331 1
95 . 1 1 13 13 DT H6 H 1 6.74 0.0061 . 1 . . . . A 13 DT H6 . 34331 1
96 . 1 1 13 13 DT H1' H 1 5.54 0.0010 . 1 . . . . A 13 DT H1' . 34331 1
97 . 1 1 14 14 DA H2' H 1 2.53 0.0006 . 1 . . . . A 14 DA H2' . 34331 1
98 . 1 1 14 14 DA H2'' H 1 2.69 0.0037 . 1 . . . . A 14 DA H2'' . 34331 1
99 . 1 1 14 14 DA H2 H 1 7.91 0.0053 . 1 . . . . A 14 DA H2 . 34331 1
100 . 1 1 14 14 DA H3' H 1 4.00 0.0017 . 1 . . . . A 14 DA H3' . 34331 1
101 . 1 1 14 14 DA H8 H 1 8.14 0.0052 . 1 . . . . A 14 DA H8 . 34331 1
102 . 1 1 14 14 DA H1' H 1 5.05 0.0023 . 1 . . . . A 14 DA H1' . 34331 1
103 . 1 1 15 15 DG H2' H 1 2.70 0.0010 . 1 . . . . A 15 DG H2' . 34331 1
104 . 1 1 15 15 DG H2'' H 1 2.88 0.0032 . 1 . . . . A 15 DG H2'' . 34331 1
105 . 1 1 15 15 DG H3' H 1 4.28 0.0004 . 1 . . . . A 15 DG H3' . 34331 1
106 . 1 1 15 15 DG H1 H 1 11.53 0.0011 . 1 . . . . A 15 DG H1 . 34331 1
107 . 1 1 15 15 DG H8 H 1 7.86 0.0004 . 1 . . . . A 15 DG H8 . 34331 1
108 . 1 1 15 15 DG H1' H 1 6.03 0.0005 . 1 . . . . A 15 DG H1' . 34331 1
109 . 1 1 16 16 DG H3' H 1 4.51 0.0012 . 1 . . . . A 16 DG H3' . 34331 1
110 . 1 1 16 16 DG H2' H 1 2.25 0.0021 . 1 . . . . A 16 DG H2' . 34331 1
111 . 1 1 16 16 DG H2'' H 1 2.43 0.0019 . 1 . . . . A 16 DG H2'' . 34331 1
112 . 1 1 16 16 DG H8 H 1 7.25 0.0014 . 1 . . . . A 16 DG H8 . 34331 1
113 . 1 1 16 16 DG H1' H 1 5.86 0.0003 . 1 . . . . A 16 DG H1' . 34331 1
114 . 1 1 16 16 DG H1 H 1 10.82 0.0019 . 1 . . . . A 16 DG H1 . 34331 1
115 . 1 1 17 17 DG H3' H 1 4.75 0.0028 . 1 . . . . A 17 DG H3' . 34331 1
116 . 1 1 17 17 DG H1' H 1 6.01 0.0009 . 1 . . . . A 17 DG H1' . 34331 1
117 . 1 1 17 17 DG H2' H 1 2.37 0.0033 . 1 . . . . A 17 DG H2' . 34331 1
118 . 1 1 17 17 DG H2'' H 1 2.42 0.0017 . 1 . . . . A 17 DG H2'' . 34331 1
119 . 1 1 17 17 DG H8 H 1 7.51 0.0003 . 1 . . . . A 17 DG H8 . 34331 1
120 . 1 1 17 17 DG H1 H 1 10.48 0.0022 . 1 . . . . A 17 DG H1 . 34331 1
121 . 1 1 18 18 DT H3' H 1 4.12 0.0055 . 1 . . . . A 18 DT H3' . 34331 1
122 . 1 1 18 18 DT H2' H 1 2.34 0.0025 . 1 . . . . A 18 DT H2' . 34331 1
123 . 1 1 18 18 DT H2'' H 1 2.40 0.0026 . 1 . . . . A 18 DT H2'' . 34331 1
124 . 1 1 18 18 DT H71 H 1 1.80 0.0016 . 3 . . . . A 18 DT H71 . 34331 1
125 . 1 1 18 18 DT H72 H 1 1.80 0.0016 . 3 . . . . A 18 DT H72 . 34331 1
126 . 1 1 18 18 DT H73 H 1 1.80 0.0016 . 3 . . . . A 18 DT H73 . 34331 1
127 . 1 1 18 18 DT H6 H 1 7.53 0.0009 . 1 . . . . A 18 DT H6 . 34331 1
128 . 1 1 18 18 DT H1' H 1 6.18 0.0007 . 1 . . . . A 18 DT H1' . 34331 1
129 . 1 1 19 19 DT H3' H 1 4.58 0.0011 . 1 . . . . A 19 DT H3' . 34331 1
130 . 1 1 19 19 DT H2' H 1 1.81 0.0022 . 1 . . . . A 19 DT H2' . 34331 1
131 . 1 1 19 19 DT H2'' H 1 2.17 0.0020 . 1 . . . . A 19 DT H2'' . 34331 1
132 . 1 1 19 19 DT H6 H 1 7.36 0.0012 . 1 . . . . A 19 DT H6 . 34331 1
133 . 1 1 19 19 DT H1' H 1 5.78 0.0003 . 1 . . . . A 19 DT H1' . 34331 1
134 . 1 1 19 19 DT H71 H 1 1.76 0.0008 . 3 . . . . A 19 DT H71 . 34331 1
135 . 1 1 19 19 DT H72 H 1 1.76 0.0008 . 3 . . . . A 19 DT H72 . 34331 1
136 . 1 1 19 19 DT H73 H 1 1.76 0.0008 . 3 . . . . A 19 DT H73 . 34331 1
137 . 1 1 20 20 DA H3' H 1 4.93 0.0002 . 1 . . . . A 20 DA H3' . 34331 1
138 . 1 1 20 20 DA H2' H 1 2.59 0.0016 . 1 . . . . A 20 DA H2' . 34331 1
139 . 1 1 20 20 DA H2'' H 1 2.80 0.0081 . 1 . . . . A 20 DA H2'' . 34331 1
140 . 1 1 20 20 DA H2 H 1 8.08 0.0132 . 1 . . . . A 20 DA H2 . 34331 1
141 . 1 1 20 20 DA H8 H 1 8.23 0.0092 . 1 . . . . A 20 DA H8 . 34331 1
142 . 1 1 20 20 DA H1' H 1 6.33 0.0007 . 1 . . . . A 20 DA H1' . 34331 1
143 . 1 1 21 21 DG H2' H 1 2.43 0.0055 . 1 . . . . A 21 DG H2' . 34331 1
144 . 1 1 21 21 DG H2'' H 1 2.74 0.0041 . 1 . . . . A 21 DG H2'' . 34331 1
145 . 1 1 21 21 DG H8 H 1 7.90 0.0011 . 1 . . . . A 21 DG H8 . 34331 1
146 . 1 1 21 21 DG H1' H 1 5.87 0.0009 . 1 . . . . A 21 DG H1' . 34331 1
147 . 1 1 21 21 DG H22 H 1 9.13 0.0025 . 1 . . . . A 21 DG H22 . 34331 1
148 . 1 1 21 21 DG H21 H 1 6.22 0.0028 . 1 . . . . A 21 DG H21 . 34331 1
149 . 1 1 21 21 DG H1 H 1 11.43 0.0012 . 1 . . . . A 21 DG H1 . 34331 1
150 . 1 1 22 22 DG H2' H 1 2.46 0.0018 . 1 . . . . A 22 DG H2' . 34331 1
151 . 1 1 22 22 DG H2'' H 1 2.74 0.0007 . 1 . . . . A 22 DG H2'' . 34331 1
152 . 1 1 22 22 DG H8 H 1 7.71 0.0022 . 1 . . . . A 22 DG H8 . 34331 1
153 . 1 1 22 22 DG H1' H 1 5.51 0.0025 . 1 . . . . A 22 DG H1' . 34331 1
154 . 1 1 22 22 DG H1 H 1 11.13 0.0020 . 1 . . . . A 22 DG H1 . 34331 1
155 . 1 1 23 23 DG H3' H 1 4.37 0.0001 . 1 . . . . A 23 DG H3' . 34331 1
156 . 1 1 23 23 DG H2' H 1 2.44 0.0032 . 1 . . . . A 23 DG H2' . 34331 1
157 . 1 1 23 23 DG H2'' H 1 2.58 0.0032 . 1 . . . . A 23 DG H2'' . 34331 1
158 . 1 1 23 23 DG H8 H 1 7.70 0.0034 . 1 . . . . A 23 DG H8 . 34331 1
159 . 1 1 23 23 DG H1' H 1 5.99 0.0012 . 1 . . . . A 23 DG H1' . 34331 1
160 . 1 1 23 23 DG H1 H 1 10.74 0.0005 . 1 . . . . A 23 DG H1 . 34331 1
161 . 1 1 24 24 DA H2' H 1 1.97 0.0007 . 1 . . . . A 24 DA H2' . 34331 1
162 . 1 1 24 24 DA H2'' H 1 2.78 0.0011 . 1 . . . . A 24 DA H2'' . 34331 1
163 . 1 1 24 24 DA H3' H 1 4.48 0.0009 . 1 . . . . A 24 DA H3' . 34331 1
164 . 1 1 24 24 DA H8 H 1 7.65 0.0002 . 1 . . . . A 24 DA H8 . 34331 1
165 . 1 1 24 24 DA H1' H 1 6.05 0.0005 . 1 . . . . A 24 DA H1' . 34331 1
stop_
save_