Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11176
_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 $chemical_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
5 '2D 1H-1H NOESY no.1' 1 $sample_1 isotropic 11176 1
6 '2D 1H-1H NOESY no.2' 3 $sample_3 isotropic 11176 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 G H1' H 1 5.85 0.02 . 1 . . . . 1 G H1' . 11176 1
2 . 1 1 1 1 G H2' H 1 4.795 0.02 . 1 . . . . 1 G H2' . 11176 1
3 . 1 1 1 1 G H3' H 1 4.66 0.02 . 1 . . . . 1 G H3' . 11176 1
4 . 1 1 1 1 G H8 H 1 8.164 0.02 . 1 . . . . 1 G H8 . 11176 1
5 . 1 1 2 2 G H1' H 1 5.71 0.02 . 1 . . . . 2 G H1' . 11176 1
6 . 1 1 2 2 G H2' H 1 4.505 0.02 . 1 . . . . 2 G H2' . 11176 1
7 . 1 1 2 2 G H3' H 1 4.451 0.02 . 1 . . . . 2 G H3' . 11176 1
8 . 1 1 2 2 G H8 H 1 7.382 0.02 . 1 . . . . 2 G H8 . 11176 1
9 . 1 1 3 3 A H1' H 1 5.917 0.02 . 1 . . . . 3 A H1' . 11176 1
10 . 1 1 3 3 A H2 H 1 7.745 0.02 . 1 . . . . 3 A H2 . 11176 1
11 . 1 1 3 3 A H2' H 1 4.497 0.02 . 1 . . . . 3 A H2' . 11176 1
12 . 1 1 3 3 A H3' H 1 4.576 0.02 . 1 . . . . 3 A H3' . 11176 1
13 . 1 1 3 3 A H8 H 1 7.819 0.02 . 1 . . . . 3 A H8 . 11176 1
14 . 1 1 4 4 C H1' H 1 5.311 0.02 . 1 . . . . 4 C H1' . 11176 1
15 . 1 1 4 4 C H2' H 1 4.3 0.02 . 1 . . . . 4 C H2' . 11176 1
16 . 1 1 4 4 C H3' H 1 4.241 0.02 . 1 . . . . 4 C H3' . 11176 1
17 . 1 1 4 4 C H5 H 1 5.161 0.02 . 1 . . . . 4 C H5 . 11176 1
18 . 1 1 4 4 C H6 H 1 7.365 0.02 . 1 . . . . 4 C H6 . 11176 1
19 . 1 1 5 5 C H1' H 1 5.441 0.02 . 1 . . . . 5 C H1' . 11176 1
20 . 1 1 5 5 C H2' H 1 4.461 0.02 . 1 . . . . 5 C H2' . 11176 1
21 . 1 1 5 5 C H3' H 1 4.636 0.02 . 1 . . . . 5 C H3' . 11176 1
22 . 1 1 5 5 C H5 H 1 5.443 0.02 . 1 . . . . 5 C H5 . 11176 1
23 . 1 1 5 5 C H6 H 1 7.545 0.02 . 1 . . . . 5 C H6 . 11176 1
24 . 1 1 6 6 C H1' H 1 5.411 0.02 . 1 . . . . 6 C H1' . 11176 1
25 . 1 1 6 6 C H2' H 1 4.243 0.02 . 1 . . . . 6 C H2' . 11176 1
26 . 1 1 6 6 C H3' H 1 4.587 0.02 . 1 . . . . 6 C H3' . 11176 1
27 . 1 1 6 6 C H5 H 1 5.629 0.02 . 1 . . . . 6 C H5 . 11176 1
28 . 1 1 6 6 C H6 H 1 7.893 0.02 . 1 . . . . 6 C H6 . 11176 1
29 . 1 1 7 7 A H1' H 1 5.684 0.02 . 1 . . . . 7 A H1' . 11176 1
30 . 1 1 7 7 A H2 H 1 7.851 0.02 . 1 . . . . 7 A H2 . 11176 1
31 . 1 1 7 7 A H2' H 1 4.42 0.02 . 1 . . . . 7 A H2' . 11176 1
32 . 1 1 7 7 A H3' H 1 4.536 0.02 . 1 . . . . 7 A H3' . 11176 1
33 . 1 1 7 7 A H8 H 1 8.218 0.02 . 1 . . . . 7 A H8 . 11176 1
34 . 1 1 8 8 C H1' H 1 5.308 0.02 . 1 . . . . 8 C H1' . 11176 1
35 . 1 1 8 8 C H2' H 1 4.181 0.02 . 1 . . . . 8 C H2' . 11176 1
36 . 1 1 8 8 C H3' H 1 4.25 0.02 . 1 . . . . 8 C H3' . 11176 1
37 . 1 1 8 8 C H5 H 1 5.484 0.02 . 1 . . . . 8 C H5 . 11176 1
38 . 1 1 8 8 C H6 H 1 7.374 0.02 . 1 . . . . 8 C H6 . 11176 1
39 . 1 1 9 9 C H1' H 1 5.713 0.02 . 1 . . . . 9 C H1' . 11176 1
40 . 1 1 9 9 C H2' H 1 3.795 0.02 . 1 . . . . 9 C H2' . 11176 1
41 . 1 1 9 9 C H3' H 1 4.356 0.02 . 1 . . . . 9 C H3' . 11176 1
42 . 1 1 9 9 C H5 H 1 5.684 0.02 . 1 . . . . 9 C H5 . 11176 1
43 . 1 1 9 9 C H6 H 1 7.578 0.02 . 1 . . . . 9 C H6 . 11176 1
44 . 1 1 10 10 A H1' H 1 6.054 0.02 . 1 . . . . 10 A H1' . 11176 1
45 . 1 1 10 10 A H2 H 1 8.184 0.02 . 1 . . . . 10 A H2 . 11176 1
46 . 1 1 10 10 A H2' H 1 5.049 0.02 . 1 . . . . 10 A H2' . 11176 1
47 . 1 1 10 10 A H3' H 1 4.063 0.02 . 1 . . . . 10 A H3' . 11176 1
48 . 1 1 10 10 A H4' H 1 4.46 0.02 . 1 . . . . 10 A H4' . 11176 1
49 . 1 1 10 10 A H8 H 1 8.685 0.02 . 1 . . . . 10 A H8 . 11176 1
50 . 1 1 11 11 C H1' H 1 5.849 0.02 . 1 . . . . 11 C H1' . 11176 1
51 . 1 1 11 11 C H2' H 1 4.004 0.02 . 1 . . . . 11 C H2' . 11176 1
52 . 1 1 11 11 C H3' H 1 4.398 0.02 . 1 . . . . 11 C H3' . 11176 1
53 . 1 1 11 11 C H5 H 1 5.951 0.02 . 1 . . . . 11 C H5 . 11176 1
54 . 1 1 11 11 C H6 H 1 7.579 0.02 . 1 . . . . 11 C H6 . 11176 1
55 . 1 1 12 12 G H1' H 1 5.878 0.02 . 1 . . . . 12 G H1' . 11176 1
56 . 1 1 12 12 G H2' H 1 4.658 0.02 . 1 . . . . 12 G H2' . 11176 1
57 . 1 1 12 12 G H3' H 1 5.528 0.02 . 1 . . . . 12 G H3' . 11176 1
58 . 1 1 12 12 G H8 H 1 7.735 0.02 . 1 . . . . 12 G H8 . 11176 1
59 . 1 1 13 13 G H1' H 1 4.265 0.02 . 1 . . . . 13 G H1' . 11176 1
60 . 1 1 13 13 G H2' H 1 4.466 0.02 . 1 . . . . 13 G H2' . 11176 1
61 . 1 1 13 13 G H3' H 1 4.369 0.02 . 1 . . . . 13 G H3' . 11176 1
62 . 1 1 13 13 G H8 H 1 8.215 0.02 . 1 . . . . 13 G H8 . 11176 1
63 . 1 1 14 14 C H1' H 1 5.442 0.02 . 1 . . . . 14 C H1' . 11176 1
64 . 1 1 14 14 C H2' H 1 3.993 0.02 . 1 . . . . 14 C H2' . 11176 1
65 . 1 1 14 14 C H3' H 1 4.639 0.02 . 1 . . . . 14 C H3' . 11176 1
66 . 1 1 14 14 C H5 H 1 5.52 0.02 . 1 . . . . 14 C H5 . 11176 1
67 . 1 1 14 14 C H6 H 1 7.76 0.02 . 1 . . . . 14 C H6 . 11176 1
68 . 1 1 15 15 G H1' H 1 5.846 0.02 . 1 . . . . 15 G H1' . 11176 1
69 . 1 1 15 15 G H2' H 1 4.497 0.02 . 1 . . . . 15 G H2' . 11176 1
70 . 1 1 15 15 G H3' H 1 4.746 0.02 . 1 . . . . 15 G H3' . 11176 1
71 . 1 1 15 15 G H8 H 1 7.836 0.02 . 1 . . . . 15 G H8 . 11176 1
72 . 1 1 16 16 A H1' H 1 6.105 0.02 . 1 . . . . 16 A H1' . 11176 1
73 . 1 1 16 16 A H2 H 1 8.125 0.02 . 1 . . . . 16 A H2 . 11176 1
74 . 1 1 16 16 A H2' H 1 4.761 0.02 . 1 . . . . 16 A H2' . 11176 1
75 . 1 1 16 16 A H3' H 1 4.659 0.02 . 1 . . . . 16 A H3' . 11176 1
76 . 1 1 16 16 A H4' H 1 4.543 0.02 . 1 . . . . 16 A H4' . 11176 1
77 . 1 1 16 16 A H8 H 1 8.297 0.02 . 1 . . . . 16 A H8 . 11176 1
78 . 1 1 17 17 G H1' H 1 5.323 0.02 . 1 . . . . 17 G H1' . 11176 1
79 . 1 1 17 17 G H2' H 1 4.691 0.02 . 1 . . . . 17 G H2' . 11176 1
80 . 1 1 17 17 G H3' H 1 4.082 0.02 . 1 . . . . 17 G H3' . 11176 1
81 . 1 1 17 17 G H8 H 1 7.47 0.02 . 1 . . . . 17 G H8 . 11176 1
82 . 1 1 18 18 G H1' H 1 5.75 0.02 . 1 . . . . 18 G H1' . 11176 1
83 . 1 1 18 18 G H2' H 1 4.433 0.02 . 1 . . . . 18 G H2' . 11176 1
84 . 1 1 18 18 G H3' H 1 4.029 0.02 . 1 . . . . 18 G H3' . 11176 1
85 . 1 1 18 18 G H8 H 1 7.3 0.02 . 1 . . . . 18 G H8 . 11176 1
86 . 1 1 19 19 U H1' H 1 5.55 0.02 . 1 . . . . 19 U H1' . 11176 1
87 . 1 1 19 19 U H2' H 1 4.499 0.02 . 1 . . . . 19 U H2' . 11176 1
88 . 1 1 19 19 U H3' H 1 4.021 0.02 . 1 . . . . 19 U H3' . 11176 1
89 . 1 1 19 19 U H5 H 1 5.018 0.02 . 1 . . . . 19 U H5 . 11176 1
90 . 1 1 19 19 U H6 H 1 7.768 0.02 . 1 . . . . 19 U H6 . 11176 1
91 . 1 1 20 20 C H1' H 1 5.521 0.02 . 1 . . . . 20 C H1' . 11176 1
92 . 1 1 20 20 C H2' H 1 4.374 0.02 . 1 . . . . 20 C H2' . 11176 1
93 . 1 1 20 20 C H3' H 1 4.341 0.02 . 1 . . . . 20 C H3' . 11176 1
94 . 1 1 20 20 C H5 H 1 5.557 0.02 . 1 . . . . 20 C H5 . 11176 1
95 . 1 1 20 20 C H6 H 1 7.838 0.02 . 1 . . . . 20 C H6 . 11176 1
96 . 1 1 21 21 C H1' H 1 5.342 0.02 . 1 . . . . 21 C H1' . 11176 1
97 . 1 1 21 21 C H2' H 1 4.366 0.02 . 1 . . . . 21 C H2' . 11176 1
98 . 1 1 21 21 C H3' H 1 4.365 0.02 . 1 . . . . 21 C H3' . 11176 1
99 . 1 1 21 21 C H5 H 1 5.399 0.02 . 1 . . . . 21 C H5 . 11176 1
100 . 1 1 21 21 C H6 H 1 7.58 0.02 . 1 . . . . 21 C H6 . 11176 1
101 . 1 1 22 22 A H1' H 1 5.863 0.02 . 1 . . . . 22 A H1' . 11176 1
102 . 1 1 22 22 A H2 H 1 7.194 0.02 . 1 . . . . 22 A H2 . 11176 1
103 . 1 1 22 22 A H2' H 1 3.951 0.02 . 1 . . . . 22 A H2' . 11176 1
104 . 1 1 22 22 A H3' H 1 4.199 0.02 . 1 . . . . 22 A H3' . 11176 1
105 . 1 1 22 22 A H8 H 1 7.918 0.02 . 1 . . . . 22 A H8 . 11176 1
stop_
save_