Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5271
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5271 2
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 ALA CA C 13 52.89 0.18 . 1 . . . . . . . . 5271 2
2 . 1 1 1 1 ALA HA H 1 3.264 0.013 . 1 . . . . . . . . 5271 2
3 . 1 1 2 2 ASN N N 15 114.73 0.07 . 1 . . . . . . . . 5271 2
4 . 1 1 2 2 ASN H H 1 8.307 0.013 . 1 . . . . . . . . 5271 2
5 . 1 1 2 2 ASN CA C 13 54.73 0.18 . 1 . . . . . . . . 5271 2
6 . 1 1 2 2 ASN HA H 1 4.723 0.013 . 1 . . . . . . . . 5271 2
7 . 1 1 3 3 GLU N N 15 121.45 0.07 . 1 . . . . . . . . 5271 2
8 . 1 1 3 3 GLU H H 1 8.960 0.013 . 1 . . . . . . . . 5271 2
9 . 1 1 3 3 GLU CA C 13 60.93 0.18 . 1 . . . . . . . . 5271 2
10 . 1 1 3 3 GLU HA H 1 3.333 0.013 . 1 . . . . . . . . 5271 2
11 . 1 1 4 4 GLY N N 15 114.77 0.07 . 1 . . . . . . . . 5271 2
12 . 1 1 4 4 GLY H H 1 8.889 0.013 . 1 . . . . . . . . 5271 2
13 . 1 1 4 4 GLY CA C 13 47.09 0.18 . 1 . . . . . . . . 5271 2
14 . 1 1 4 4 GLY HA2 H 1 3.159 0.013 . 1 . . . . . . . . 5271 2
15 . 1 1 4 4 GLY HA3 H 1 4.143 0.013 . 1 . . . . . . . . 5271 2
16 . 1 1 5 5 ASP N N 15 121.70 0.07 . 1 . . . . . . . . 5271 2
17 . 1 1 5 5 ASP H H 1 7.924 0.013 . 1 . . . . . . . . 5271 2
18 . 1 1 5 5 ASP CA C 13 57.57 0.18 . 1 . . . . . . . . 5271 2
19 . 1 1 5 5 ASP HA H 1 4.406 0.013 . 1 . . . . . . . . 5271 2
20 . 1 1 6 6 VAL N N 15 121.75 0.07 . 1 . . . . . . . . 5271 2
21 . 1 1 6 6 VAL H H 1 8.652 0.013 . 1 . . . . . . . . 5271 2
22 . 1 1 6 6 VAL CA C 13 63.45 0.18 . 1 . . . . . . . . 5271 2
23 . 1 1 6 6 VAL HA H 1 4.778 0.013 . 1 . . . . . . . . 5271 2
24 . 1 1 7 7 TYR N N 15 125.90 0.07 . 1 . . . . . . . . 5271 2
25 . 1 1 7 7 TYR H H 1 8.817 0.013 . 1 . . . . . . . . 5271 2
26 . 1 1 7 7 TYR CA C 13 59.50 0.18 . 1 . . . . . . . . 5271 2
27 . 1 1 7 7 TYR HA H 1 4.882 0.013 . 1 . . . . . . . . 5271 2
28 . 1 1 16 16 VAL N N 15 117.72 0.07 . 1 . . . . . . . . 5271 2
29 . 1 1 16 16 VAL H H 1 8.880 0.013 . 1 . . . . . . . . 5271 2
30 . 1 1 17 17 LYS N N 15 120.73 0.07 . 1 . . . . . . . . 5271 2
31 . 1 1 17 17 LYS H H 1 8.719 0.013 . 1 . . . . . . . . 5271 2
32 . 1 1 17 17 LYS CA C 13 55.52 0.18 . 1 . . . . . . . . 5271 2
33 . 1 1 17 17 LYS HA H 1 5.179 0.013 . 1 . . . . . . . . 5271 2
34 . 1 1 18 18 VAL N N 15 126.07 0.07 . 1 . . . . . . . . 5271 2
35 . 1 1 18 18 VAL H H 1 8.898 0.013 . 1 . . . . . . . . 5271 2
36 . 1 1 18 18 VAL CA C 13 66.14 0.18 . 1 . . . . . . . . 5271 2
37 . 1 1 18 18 VAL HA H 1 3.816 0.013 . 1 . . . . . . . . 5271 2
38 . 1 1 19 19 LEU N N 15 131.03 0.07 . 1 . . . . . . . . 5271 2
39 . 1 1 19 19 LEU H H 1 9.263 0.013 . 1 . . . . . . . . 5271 2
40 . 1 1 19 19 LEU CA C 13 57.97 0.18 . 1 . . . . . . . . 5271 2
41 . 1 1 19 19 LEU HA H 1 4.326 0.013 . 1 . . . . . . . . 5271 2
42 . 1 1 20 20 GLU N N 15 116.32 0.07 . 1 . . . . . . . . 5271 2
43 . 1 1 20 20 GLU H H 1 7.493 0.013 . 1 . . . . . . . . 5271 2
44 . 1 1 20 20 GLU CA C 13 57.21 0.18 . 1 . . . . . . . . 5271 2
45 . 1 1 20 20 GLU HA H 1 4.551 0.013 . 1 . . . . . . . . 5271 2
46 . 1 1 21 21 GLU N N 15 122.99 0.07 . 1 . . . . . . . . 5271 2
47 . 1 1 21 21 GLU H H 1 8.660 0.013 . 1 . . . . . . . . 5271 2
48 . 1 1 21 21 GLU CA C 13 58.65 0.18 . 1 . . . . . . . . 5271 2
49 . 1 1 21 21 GLU HA H 1 4.061 0.013 . 1 . . . . . . . . 5271 2
50 . 1 1 22 22 GLY N N 15 106.53 0.07 . 1 . . . . . . . . 5271 2
51 . 1 1 22 22 GLY H H 1 7.184 0.013 . 1 . . . . . . . . 5271 2
52 . 1 1 22 22 GLY CA C 13 47.44 0.18 . 1 . . . . . . . . 5271 2
53 . 1 1 22 22 GLY HA2 H 1 3.896 0.013 . 1 . . . . . . . . 5271 2
54 . 1 1 23 23 GLY N N 15 102.84 0.07 . 1 . . . . . . . . 5271 2
55 . 1 1 23 23 GLY H H 1 7.905 0.013 . 1 . . . . . . . . 5271 2
56 . 1 1 24 24 GLY N N 15 112.58 0.07 . 1 . . . . . . . . 5271 2
57 . 1 1 24 24 GLY H H 1 8.520 0.013 . 1 . . . . . . . . 5271 2
58 . 1 1 24 24 GLY CA C 13 49.11 0.18 . 1 . . . . . . . . 5271 2
59 . 1 1 24 24 GLY HA2 H 1 4.759 0.013 . 1 . . . . . . . . 5271 2
60 . 1 1 25 25 THR N N 15 120.05 0.07 . 1 . . . . . . . . 5271 2
61 . 1 1 25 25 THR H H 1 8.847 0.013 . 1 . . . . . . . . 5271 2
62 . 1 1 25 25 THR CA C 13 64.36 0.18 . 1 . . . . . . . . 5271 2
63 . 1 1 25 25 THR HA H 1 4.051 0.013 . 1 . . . . . . . . 5271 2
64 . 1 1 26 26 LEU N N 15 126.98 0.07 . 1 . . . . . . . . 5271 2
65 . 1 1 26 26 LEU H H 1 7.968 0.013 . 1 . . . . . . . . 5271 2
66 . 1 1 26 26 LEU CA C 13 57.36 0.18 . 1 . . . . . . . . 5271 2
67 . 1 1 26 26 LEU HA H 1 4.438 0.013 . 1 . . . . . . . . 5271 2
68 . 1 1 32 32 ASP N N 15 126.47 0.18 . 1 . . . . . . . . 5271 2
69 . 1 1 32 32 ASP H H 1 8.177 0.013 . 1 . . . . . . . . 5271 2
70 . 1 1 34 34 VAL CA C 13 64.74 0.18 . 1 . . . . . . . . 5271 2
71 . 1 1 34 34 VAL HA H 1 4.046 0.013 . 1 . . . . . . . . 5271 2
72 . 1 1 35 35 LYS N N 15 134.18 0.07 . 1 . . . . . . . . 5271 2
73 . 1 1 35 35 LYS H H 1 8.788 0.013 . 1 . . . . . . . . 5271 2
74 . 1 1 35 35 LYS CA C 13 59.78 0.18 . 1 . . . . . . . . 5271 2
75 . 1 1 35 35 LYS HA H 1 3.221 0.013 . 1 . . . . . . . . 5271 2
76 . 1 1 36 36 GLN N N 15 132.04 0.07 . 1 . . . . . . . . 5271 2
77 . 1 1 36 36 GLN H H 1 8.591 0.013 . 1 . . . . . . . . 5271 2
78 . 1 1 36 36 GLN CA C 13 58.12 0.18 . 1 . . . . . . . . 5271 2
79 . 1 1 36 36 GLN HA H 1 4.039 0.013 . 1 . . . . . . . . 5271 2
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