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 5575
_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_1
_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 . 5575 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 PCA HA H 1 4.31 . . 1 . . . . . . . . 5575 1
2 . 1 1 1 1 PCA HB2 H 1 2.68 . . 1 . . . . . . . . 5575 1
3 . 1 1 1 1 PCA HB3 H 1 2.52 . . 1 . . . . . . . . 5575 1
4 . 1 1 1 1 PCA HG2 H 1 2.43 . . 1 . . . . . . . . 5575 1
5 . 1 1 1 1 PCA HG3 H 1 2.06 . . 1 . . . . . . . . 5575 1
6 . 1 1 2 2 PRO HA H 1 4.55 . . 1 . . . . . . . . 5575 1
7 . 1 1 2 2 PRO HB2 H 1 2.39 . . 2 . . . . . . . . 5575 1
8 . 1 1 2 2 PRO HG2 H 1 2.13 . . 1 . . . . . . . . 5575 1
9 . 1 1 2 2 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 5575 1
10 . 1 1 2 2 PRO HD2 H 1 3.85 . . 1 . . . . . . . . 5575 1
11 . 1 1 2 2 PRO HD3 H 1 3.73 . . 1 . . . . . . . . 5575 1
12 . 1 1 3 3 SER H H 1 8.25 . . 1 . . . . . . . . 5575 1
13 . 1 1 3 3 SER HA H 1 4.53 . . 1 . . . . . . . . 5575 1
14 . 1 1 3 3 SER HB2 H 1 4.08 . . 1 . . . . . . . . 5575 1
15 . 1 1 3 3 SER HB3 H 1 3.97 . . 1 . . . . . . . . 5575 1
16 . 1 1 4 4 LYS H H 1 8.57 . . 1 . . . . . . . . 5575 1
17 . 1 1 4 4 LYS HA H 1 4.27 . . 1 . . . . . . . . 5575 1
18 . 1 1 4 4 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 5575 1
19 . 1 1 4 4 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 5575 1
20 . 1 1 4 4 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 5575 1
21 . 1 1 4 4 LYS HD2 H 1 1.79 . . 2 . . . . . . . . 5575 1
22 . 1 1 4 4 LYS HE2 H 1 3.06 . . 2 . . . . . . . . 5575 1
23 . 1 1 4 4 LYS HZ1 H 1 8.79 . . 1 . . . . . . . . 5575 1
24 . 1 1 4 4 LYS HZ2 H 1 8.79 . . 1 . . . . . . . . 5575 1
25 . 1 1 4 4 LYS HZ3 H 1 8.79 . . 1 . . . . . . . . 5575 1
26 . 1 1 5 5 ASP H H 1 8.32 . . 1 . . . . . . . . 5575 1
27 . 1 1 5 5 ASP HA H 1 4.60 . . 1 . . . . . . . . 5575 1
28 . 1 1 5 5 ASP HB2 H 1 2.86 . . 1 . . . . . . . . 5575 1
29 . 1 1 5 5 ASP HB3 H 1 2.79 . . 1 . . . . . . . . 5575 1
30 . 1 1 6 6 ALA H H 1 8.13 . . 1 . . . . . . . . 5575 1
31 . 1 1 6 6 ALA HA H 1 4.25 . . 1 . . . . . . . . 5575 1
32 . 1 1 6 6 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5575 1
33 . 1 1 6 6 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5575 1
34 . 1 1 6 6 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5575 1
35 . 1 1 7 7 PHE H H 1 8.04 . . 1 . . . . . . . . 5575 1
36 . 1 1 7 7 PHE HA H 1 4.51 . . 1 . . . . . . . . 5575 1
37 . 1 1 7 7 PHE HB2 H 1 3.28 . . 1 . . . . . . . . 5575 1
38 . 1 1 7 7 PHE HB3 H 1 3.21 . . 1 . . . . . . . . 5575 1
39 . 1 1 7 7 PHE HE2 H 1 7.32 . . 3 . . . . . . . . 5575 1
40 . 1 1 8 8 ILE H H 1 7.95 . . 1 . . . . . . . . 5575 1
41 . 1 1 8 8 ILE HA H 1 3.98 . . 1 . . . . . . . . 5575 1
42 . 1 1 8 8 ILE HB H 1 2.01 . . 1 . . . . . . . . 5575 1
43 . 1 1 8 8 ILE HG12 H 1 1.66 . . 2 . . . . . . . . 5575 1
44 . 1 1 8 8 ILE HG21 H 1 1.33 . . 1 . . . . . . . . 5575 1
45 . 1 1 8 8 ILE HG22 H 1 1.33 . . 1 . . . . . . . . 5575 1
46 . 1 1 8 8 ILE HG23 H 1 1.33 . . 1 . . . . . . . . 5575 1
47 . 1 1 8 8 ILE HD11 H 1 0.98 . . 1 . . . . . . . . 5575 1
48 . 1 1 8 8 ILE HD12 H 1 0.98 . . 1 . . . . . . . . 5575 1
49 . 1 1 8 8 ILE HD13 H 1 0.98 . . 1 . . . . . . . . 5575 1
50 . 1 1 9 9 GLY H H 1 8.19 . . 1 . . . . . . . . 5575 1
51 . 1 1 9 9 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 5575 1
52 . 1 1 10 10 LEU H H 1 7.84 . . 1 . . . . . . . . 5575 1
53 . 1 1 10 10 LEU HA H 1 4.33 . . 1 . . . . . . . . 5575 1
54 . 1 1 10 10 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 5575 1
55 . 1 1 10 10 LEU HG H 1 1.69 . . 1 . . . . . . . . 5575 1
56 . 1 1 10 10 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 5575 1
57 . 1 1 10 10 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 5575 1
58 . 1 1 10 10 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 5575 1
59 . 1 1 10 10 LEU HD21 H 1 1.01 . . 1 . . . . . . . . 5575 1
60 . 1 1 10 10 LEU HD22 H 1 1.01 . . 1 . . . . . . . . 5575 1
61 . 1 1 10 10 LEU HD23 H 1 1.01 . . 1 . . . . . . . . 5575 1
62 . 1 1 11 11 MET H H 1 7.88 . . 1 . . . . . . . . 5575 1
63 . 1 1 11 11 MET HA H 1 4.43 . . 1 . . . . . . . . 5575 1
64 . 1 1 11 11 MET HB2 H 1 2.19 . . 2 . . . . . . . . 5575 1
65 . 1 1 11 11 MET HG2 H 1 2.54 . . 1 . . . . . . . . 5575 1
66 . 1 1 11 11 MET HG3 H 1 2.65 . . 1 . . . . . . . . 5575 1
67 . 1 1 11 11 MET HE1 H 1 2.11 . . 1 . . . . . . . . 5575 1
68 . 1 1 11 11 MET HE2 H 1 2.11 . . 1 . . . . . . . . 5575 1
69 . 1 1 11 11 MET HE3 H 1 2.11 . . 1 . . . . . . . . 5575 1
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