Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5260
_Assigned_chem_shift_list.ID 1
_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 . 5260 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 ALA CA C 13 52.85 0.18 . 1 . . . . . . . . 5260 1
2 . 1 1 1 1 ALA HA H 1 3.213 0.013 . 1 . . . . . . . . 5260 1
3 . 1 1 2 2 ASN N N 15 114.12 0.07 . 1 . . . . . . . . 5260 1
4 . 1 1 2 2 ASN H H 1 7.735 0.013 . 1 . . . . . . . . 5260 1
5 . 1 1 2 2 ASN CA C 13 54.18 0.18 . 1 . . . . . . . . 5260 1
6 . 1 1 2 2 ASN HA H 1 4.166 0.013 . 1 . . . . . . . . 5260 1
7 . 1 1 3 3 GLU N N 15 121.05 0.07 . 1 . . . . . . . . 5260 1
8 . 1 1 3 3 GLU H H 1 8.544 0.013 . 1 . . . . . . . . 5260 1
9 . 1 1 3 3 GLU CA C 13 60.50 0.18 . 1 . . . . . . . . 5260 1
10 . 1 1 3 3 GLU HA H 1 2.884 0.013 . 1 . . . . . . . . 5260 1
11 . 1 1 4 4 GLY N N 15 114.44 0.07 . 1 . . . . . . . . 5260 1
12 . 1 1 4 4 GLY H H 1 8.538 0.013 . 1 . . . . . . . . 5260 1
13 . 1 1 4 4 GLY CA C 13 47.02 0.18 . 1 . . . . . . . . 5260 1
14 . 1 1 4 4 GLY HA2 H 1 3.094 0.013 . 1 . . . . . . . . 5260 1
15 . 1 1 4 4 GLY HA3 H 1 4.092 0.013 . 1 . . . . . . . . 5260 1
16 . 1 1 5 5 ASP N N 15 121.37 0.07 . 1 . . . . . . . . 5260 1
17 . 1 1 5 5 ASP H H 1 7.545 0.013 . 1 . . . . . . . . 5260 1
18 . 1 1 5 5 ASP CA C 13 57.20 0.18 . 1 . . . . . . . . 5260 1
19 . 1 1 5 5 ASP HA H 1 4.148 0.013 . 1 . . . . . . . . 5260 1
20 . 1 1 6 6 VAL N N 15 121.50 0.07 . 1 . . . . . . . . 5260 1
21 . 1 1 6 6 VAL H H 1 8.446 0.013 . 1 . . . . . . . . 5260 1
22 . 1 1 6 6 VAL CA C 13 63.26 0.18 . 1 . . . . . . . . 5260 1
23 . 1 1 6 6 VAL HA H 1 4.548 0.013 . 1 . . . . . . . . 5260 1
24 . 1 1 7 7 TYR N N 15 125.69 0.07 . 1 . . . . . . . . 5260 1
25 . 1 1 7 7 TYR H H 1 8.606 0.013 . 1 . . . . . . . . 5260 1
26 . 1 1 7 7 TYR CA C 13 59.42 0.18 . 1 . . . . . . . . 5260 1
27 . 1 1 7 7 TYR HA H 1 4.712 0.013 . 1 . . . . . . . . 5260 1
28 . 1 1 16 16 VAL N N 15 117.56 0.07 . 1 . . . . . . . . 5260 1
29 . 1 1 16 16 VAL H H 1 8.725 0.013 . 1 . . . . . . . . 5260 1
30 . 1 1 17 17 LYS N N 15 120.46 0.07 . 1 . . . . . . . . 5260 1
31 . 1 1 17 17 LYS H H 1 8.460 0.013 . 1 . . . . . . . . 5260 1
32 . 1 1 17 17 LYS CA C 13 55.25 0.18 . 1 . . . . . . . . 5260 1
33 . 1 1 17 17 LYS HA H 1 4.898 0.013 . 1 . . . . . . . . 5260 1
34 . 1 1 18 18 VAL N N 15 125.59 0.07 . 1 . . . . . . . . 5260 1
35 . 1 1 18 18 VAL H H 1 8.459 0.013 . 1 . . . . . . . . 5260 1
36 . 1 1 18 18 VAL CA C 13 65.50 0.18 . 1 . . . . . . . . 5260 1
37 . 1 1 18 18 VAL HA H 1 3.108 0.013 . 1 . . . . . . . . 5260 1
38 . 1 1 19 19 LEU N N 15 130.59 0.07 . 1 . . . . . . . . 5260 1
39 . 1 1 19 19 LEU H H 1 8.739 0.013 . 1 . . . . . . . . 5260 1
40 . 1 1 19 19 LEU CA C 13 57.64 0.18 . 1 . . . . . . . . 5260 1
41 . 1 1 19 19 LEU HA H 1 4.055 0.013 . 1 . . . . . . . . 5260 1
42 . 1 1 20 20 GLU N N 15 115.93 0.07 . 1 . . . . . . . . 5260 1
43 . 1 1 20 20 GLU H H 1 6.979 0.013 . 1 . . . . . . . . 5260 1
44 . 1 1 20 20 GLU CA C 13 56.91 0.18 . 1 . . . . . . . . 5260 1
45 . 1 1 20 20 GLU HA H 1 4.290 0.013 . 1 . . . . . . . . 5260 1
46 . 1 1 21 21 GLU N N 15 123.02 0.07 . 1 . . . . . . . . 5260 1
47 . 1 1 21 21 GLU H H 1 8.251 0.013 . 1 . . . . . . . . 5260 1
48 . 1 1 21 21 GLU CA C 13 59.05 0.18 . 1 . . . . . . . . 5260 1
49 . 1 1 21 21 GLU HA H 1 4.156 0.013 . 1 . . . . . . . . 5260 1
50 . 1 1 27 27 VAL N N 15 127.36 0.07 . 1 . . . . . . . . 5260 1
51 . 1 1 27 27 VAL H H 1 8.943 0.013 . 1 . . . . . . . . 5260 1
52 . 1 1 32 32 ASP N N 15 126.89 0.07 . 1 . . . . . . . . 5260 1
53 . 1 1 32 32 ASP H H 1 8.579 0.013 . 1 . . . . . . . . 5260 1
54 . 1 1 34 34 VAL N N 15 122.96 0.07 . 1 . . . . . . . . 5260 1
55 . 1 1 34 34 VAL H H 1 9.392 0.013 . 1 . . . . . . . . 5260 1
56 . 1 1 35 35 LYS N N 15 134.18 0.07 . 1 . . . . . . . . 5260 1
57 . 1 1 35 35 LYS H H 1 8.802 0.013 . 1 . . . . . . . . 5260 1
58 . 1 1 35 35 LYS CA C 13 59.66 0.18 . 1 . . . . . . . . 5260 1
59 . 1 1 35 35 LYS HA H 1 3.121 0.013 . 1 . . . . . . . . 5260 1
60 . 1 1 36 36 GLN N N 15 132.12 0.07 . 1 . . . . . . . . 5260 1
61 . 1 1 36 36 GLN H H 1 8.635 0.013 . 1 . . . . . . . . 5260 1
62 . 1 1 36 36 GLN CA C 13 58.08 0.18 . 1 . . . . . . . . 5260 1
63 . 1 1 36 36 GLN HA H 1 4.004 0.013 . 1 . . . . . . . . 5260 1
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