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 17901
_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
1 '2D 1H-15N HSQC' . . . 17901 1
2 '2D 1H-13C HSQC aliphatic' . . . 17901 1
3 '2D 1H-13C HSQC aromatic' . . . 17901 1
4 '2D 1H-1H TOCSY' . . . 17901 1
5 '2D 1H-1H NOESY' . . . 17901 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 2 2 G H1 H 1 12.713 0.003 . 1 . . . . 1 G H1 . 17901 1
2 . 1 1 2 2 G N1 N 15 147.532 0.000 . 1 . . . . 1 G N1 . 17901 1
3 . 1 1 3 3 U H3 H 1 14.283 0.003 . 1 . . . . 2 U H3 . 17901 1
4 . 1 1 3 3 U N3 N 15 162.024 0.000 . 1 . . . . 2 U N3 . 17901 1
5 . 1 1 4 4 U H3 H 1 12.184 0.002 . 1 . . . . 3 U H3 . 17901 1
6 . 1 1 4 4 U N3 N 15 158.591 0.000 . 1 . . . . 3 U N3 . 17901 1
7 . 1 1 5 5 C H5 H 1 5.719 0.005 . 1 . . . . 4 C H5 . 17901 1
8 . 1 1 5 5 C H6 H 1 7.935 0.000 . 1 . . . . 4 C H6 . 17901 1
9 . 1 1 5 5 C H41 H 1 6.943 0.001 . 2 . . . . 4 C H41 . 17901 1
10 . 1 1 5 5 C H42 H 1 8.437 0.000 . 2 . . . . 4 C H42 . 17901 1
11 . 1 1 5 5 C C5 C 13 97.517 0.000 . 1 . . . . 4 C C5 . 17901 1
12 . 1 1 6 6 G H1 H 1 10.924 0.001 . 1 . . . . 5 G H1 . 17901 1
13 . 1 1 6 6 G N1 N 15 144.020 0.000 . 1 . . . . 5 G N1 . 17901 1
14 . 1 1 7 7 C H5 H 1 5.234 0.000 . 1 . . . . 6 C H5 . 17901 1
15 . 1 1 7 7 C C5 C 13 97.215 0.000 . 1 . . . . 6 C C5 . 17901 1
16 . 1 1 8 8 G H1 H 1 11.883 0.001 . 1 . . . . 7 G H1 . 17901 1
17 . 1 1 8 8 G N1 N 15 145.800 0.000 . 1 . . . . 7 G N1 . 17901 1
18 . 1 1 9 9 A H2 H 1 7.048 0.000 . 1 . . . . 8 A H2 . 17901 1
19 . 1 1 9 9 A C2 C 13 152.657 0.000 . 1 . . . . 8 A C2 . 17901 1
20 . 1 1 10 10 A H2 H 1 7.503 0.000 . 1 . . . . 9 A H2 . 17901 1
21 . 1 1 10 10 A C2 C 13 153.170 0.000 . 1 . . . . 9 A C2 . 17901 1
22 . 1 1 11 11 G H1 H 1 13.191 0.003 . 1 . . . . 10 G H1 . 17901 1
23 . 1 1 11 11 G N1 N 15 147.850 0.000 . 1 . . . . 10 G N1 . 17901 1
24 . 1 1 18 18 U H3 H 1 14.002 0.008 . 1 . . . . 17 U H3 . 17901 1
25 . 1 1 18 18 U N3 N 15 162.236 0.000 . 1 . . . . 17 U N3 . 17901 1
26 . 1 1 19 19 U H1' H 1 5.646 0.000 . 1 . . . . 18 U H1' . 17901 1
27 . 1 1 19 19 U H3 H 1 13.854 0.002 . 1 . . . . 18 U H3 . 17901 1
28 . 1 1 19 19 U H5 H 1 5.603 0.000 . 1 . . . . 18 U H5 . 17901 1
29 . 1 1 19 19 U C1' C 13 93.490 0.000 . 1 . . . . 18 U C1' . 17901 1
30 . 1 1 19 19 U N3 N 15 162.691 0.000 . 1 . . . . 18 U N3 . 17901 1
31 . 1 1 20 20 C H1' H 1 5.498 0.000 . 1 . . . . 19 C H1' . 17901 1
32 . 1 1 20 20 C H5 H 1 5.621 0.002 . 1 . . . . 19 C H5 . 17901 1
33 . 1 1 20 20 C H6 H 1 7.809 0.004 . 1 . . . . 19 C H6 . 17901 1
34 . 1 1 20 20 C H41 H 1 6.875 0.001 . 2 . . . . 19 C H41 . 17901 1
35 . 1 1 20 20 C H42 H 1 8.177 0.000 . 2 . . . . 19 C H42 . 17901 1
36 . 1 1 20 20 C C1' C 13 93.474 0.000 . 1 . . . . 19 C C1' . 17901 1
37 . 1 1 20 20 C C5 C 13 97.561 0.000 . 1 . . . . 19 C C5 . 17901 1
38 . 1 1 21 21 G H1 H 1 12.904 0.001 . 1 . . . . 20 G H1 . 17901 1
39 . 1 1 21 21 G H8 H 1 7.450 0.000 . 1 . . . . 20 G H8 . 17901 1
40 . 1 1 21 21 G C8 C 13 136.000 0.000 . 1 . . . . 20 G C8 . 17901 1
41 . 1 1 21 21 G N1 N 15 147.226 0.000 . 1 . . . . 20 G N1 . 17901 1
42 . 1 1 22 22 U H3 H 1 11.784 0.001 . 1 . . . . 21 U H3 . 17901 1
43 . 1 1 22 22 U H5 H 1 5.372 0.000 . 1 . . . . 21 U H5 . 17901 1
44 . 1 1 22 22 U C5 C 13 103.830 0.000 . 1 . . . . 21 U C5 . 17901 1
45 . 1 1 22 22 U N3 N 15 158.313 0.000 . 1 . . . . 21 U N3 . 17901 1
46 . 1 1 23 23 G H1 H 1 12.296 0.002 . 1 . . . . 22 G H1 . 17901 1
47 . 1 1 23 23 G H8 H 1 7.870 0.000 . 1 . . . . 22 G H8 . 17901 1
48 . 1 1 23 23 G C8 C 13 137.430 0.000 . 1 . . . . 22 G C8 . 17901 1
49 . 1 1 23 23 G N1 N 15 147.421 0.000 . 1 . . . . 22 G N1 . 17901 1
50 . 1 1 24 24 G H1 H 1 10.563 0.001 . 1 . . . . 23 G H1 . 17901 1
51 . 1 1 24 24 G H1' H 1 5.710 0.000 . 1 . . . . 23 G H1' . 17901 1
52 . 1 1 24 24 G H8 H 1 7.239 0.000 . 1 . . . . 23 G H8 . 17901 1
53 . 1 1 24 24 G C1' C 13 93.463 0.000 . 1 . . . . 23 G C1' . 17901 1
54 . 1 1 24 24 G C8 C 13 137.174 0.000 . 1 . . . . 23 G C8 . 17901 1
55 . 1 1 24 24 G N1 N 15 142.588 0.000 . 1 . . . . 23 G N1 . 17901 1
56 . 1 1 25 25 A H2 H 1 7.863 0.000 . 1 . . . . 24 A H2 . 17901 1
57 . 1 1 25 25 A C2 C 13 153.989 0.000 . 1 . . . . 24 A C2 . 17901 1
58 . 1 1 26 26 C H5 H 1 5.169 0.000 . 1 . . . . 25 C H5 . 17901 1
59 . 1 1 26 26 C H6 H 1 7.279 0.000 . 1 . . . . 25 C H6 . 17901 1
60 . 1 1 26 26 C C5 C 13 97.270 0.000 . 1 . . . . 25 C C5 . 17901 1
61 . 1 1 26 26 C C6 C 13 139.833 0.000 . 1 . . . . 25 C C6 . 17901 1
62 . 1 1 27 27 A H2 H 1 7.400 0.000 . 1 . . . . 26 A H2 . 17901 1
63 . 1 1 27 27 A C2 C 13 154.205 0.000 . 1 . . . . 26 A C2 . 17901 1
64 . 1 1 28 28 U H5 H 1 5.359 0.000 . 1 . . . . 27 U H5 . 17901 1
65 . 1 1 28 28 U C5 C 13 104.169 0.000 . 1 . . . . 27 U C5 . 17901 1
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save_