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 5631
_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_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 . 5631 2
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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 . 2 2 1 1 THR H H 1 8.17 0.03 . 1 . . . . . . . . 5631 2
2 . 2 2 1 1 THR HA H 1 4.29 0.03 . 1 . . . . . . . . 5631 2
3 . 2 2 1 1 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 5631 2
4 . 2 2 1 1 THR HG21 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
5 . 2 2 1 1 THR HG22 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
6 . 2 2 1 1 THR HG23 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
7 . 2 2 2 2 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 5631 2
8 . 2 2 2 2 GLY HA2 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2
9 . 2 2 2 2 GLY HA3 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2
10 . 2 2 3 3 TRP H H 1 7.94 0.03 . 1 . . . . . . . . 5631 2
11 . 2 2 3 3 TRP HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 2
12 . 2 2 3 3 TRP HB2 H 1 3.00 0.03 . 1 . . . . . . . . 5631 2
13 . 2 2 3 3 TRP HB3 H 1 3.17 0.03 . 1 . . . . . . . . 5631 2
14 . 2 2 3 3 TRP HD1 H 1 7.05 0.03 . 1 . . . . . . . . 5631 2
15 . 2 2 3 3 TRP HE1 H 1 9.94 0.03 . 1 . . . . . . . . 5631 2
16 . 2 2 3 3 TRP HE3 H 1 7.46 0.03 . 1 . . . . . . . . 5631 2
17 . 2 2 3 3 TRP HZ2 H 1 7.33 0.03 . 1 . . . . . . . . 5631 2
18 . 2 2 3 3 TRP HZ3 H 1 6.92 0.03 . 1 . . . . . . . . 5631 2
19 . 2 2 3 3 TRP HH2 H 1 7.01 0.03 . 1 . . . . . . . . 5631 2
20 . 2 2 4 4 GLU H H 1 7.57 0.03 . 1 . . . . . . . . 5631 2
21 . 2 2 4 4 GLU HA H 1 5.03 0.03 . 1 . . . . . . . . 5631 2
22 . 2 2 4 4 GLU HB2 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2
23 . 2 2 4 4 GLU HB3 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2
24 . 2 2 4 4 GLU HG2 H 1 1.48 0.03 . 2 . . . . . . . . 5631 2
25 . 2 2 4 4 GLU HG3 H 1 1.06 0.03 . 2 . . . . . . . . 5631 2
26 . 2 2 5 5 THR H H 1 8.81 0.03 . 1 . . . . . . . . 5631 2
27 . 2 2 5 5 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 2
28 . 2 2 5 5 THR HB H 1 3.64 0.03 . 1 . . . . . . . . 5631 2
29 . 2 2 5 5 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
30 . 2 2 5 5 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
31 . 2 2 5 5 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
32 . 2 2 6 6 TRP H H 1 8.96 0.03 . 1 . . . . . . . . 5631 2
33 . 2 2 6 6 TRP HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 2
34 . 2 2 6 6 TRP HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5631 2
35 . 2 2 6 6 TRP HB3 H 1 3.40 0.03 . 2 . . . . . . . . 5631 2
36 . 2 2 6 6 TRP HD1 H 1 7.24 0.03 . 1 . . . . . . . . 5631 2
37 . 2 2 6 6 TRP HE1 H 1 7.48 0.03 . 1 . . . . . . . . 5631 2
38 . 2 2 6 6 TRP HE3 H 1 7.43 0.03 . 1 . . . . . . . . 5631 2
39 . 2 2 6 6 TRP HZ2 H 1 7.14 0.03 . 1 . . . . . . . . 5631 2
40 . 2 2 6 6 TRP HZ3 H 1 6.61 0.03 . 1 . . . . . . . . 5631 2
41 . 2 2 6 6 TRP HH2 H 1 6.76 0.03 . 1 . . . . . . . . 5631 2
42 . 2 2 7 7 VAL H H 1 8.85 0.03 . 1 . . . . . . . . 5631 2
43 . 2 2 7 7 VAL HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 2
44 . 2 2 7 7 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 5631 2
45 . 2 2 7 7 VAL HG11 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
46 . 2 2 7 7 VAL HG12 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
47 . 2 2 7 7 VAL HG13 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
48 . 2 2 7 7 VAL HG21 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
49 . 2 2 7 7 VAL HG22 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
50 . 2 2 7 7 VAL HG23 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
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