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 5025
_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_ref_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 $sample_1 . 5025 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 . 2 2 2 2 ARG HA H 1 4.38 0.01 . 1 . . . . . . . . 5025 2
2 . 2 2 2 2 ARG H H 1 8.55 0.01 . 1 . . . . . . . . 5025 2
3 . 2 2 2 2 ARG N N 15 124.71 0.01 . 1 . . . . . . . . 5025 2
4 . 2 2 3 3 GLY HA2 H 1 4.01 0.01 . 2 . . . . . . . . 5025 2
5 . 2 2 3 3 GLY H H 1 8.11 0.01 . 1 . . . . . . . . 5025 2
6 . 2 2 3 3 GLY N N 15 110.18 0.01 . 1 . . . . . . . . 5025 2
7 . 2 2 4 4 TRP HA H 1 4.83 0.01 . 1 . . . . . . . . 5025 2
8 . 2 2 4 4 TRP HB2 H 1 3.29 0.01 . 2 . . . . . . . . 5025 2
9 . 2 2 4 4 TRP H H 1 8.05 0.01 . 1 . . . . . . . . 5025 2
10 . 2 2 4 4 TRP N N 15 120.73 0.01 . 1 . . . . . . . . 5025 2
11 . 2 2 5 5 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5025 2
12 . 2 2 5 5 LYS HB2 H 1 1.16 0.01 . 2 . . . . . . . . 5025 2
13 . 2 2 5 5 LYS H H 1 8.10 0.01 . 1 . . . . . . . . 5025 2
14 . 2 2 5 5 LYS N N 15 122.84 0.01 . 1 . . . . . . . . 5025 2
15 . 2 2 6 6 HIS HA H 1 4.56 0.01 . 1 . . . . . . . . 5025 2
16 . 2 2 6 6 HIS HB2 H 1 3.18 0.01 . 2 . . . . . . . . 5025 2
17 . 2 2 6 6 HIS HB3 H 1 3.01 0.01 . 2 . . . . . . . . 5025 2
18 . 2 2 6 6 HIS H H 1 7.98 0.01 . 1 . . . . . . . . 5025 2
19 . 2 2 6 6 HIS N N 15 118.85 0.01 . 1 . . . . . . . . 5025 2
20 . 2 2 7 7 TRP HA H 1 4.97 0.01 . 1 . . . . . . . . 5025 2
21 . 2 2 7 7 TRP HB2 H 1 3.23 0.01 . 2 . . . . . . . . 5025 2
22 . 2 2 7 7 TRP HB3 H 1 3.13 0.01 . 2 . . . . . . . . 5025 2
23 . 2 2 7 7 TRP H H 1 7.56 0.01 . 1 . . . . . . . . 5025 2
24 . 2 2 7 7 TRP N N 15 121.43 0.01 . 1 . . . . . . . . 5025 2
25 . 2 2 8 8 VAL HA H 1 4.52 0.01 . 1 . . . . . . . . 5025 2
26 . 2 2 8 8 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5025 2
27 . 2 2 8 8 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 5025 2
28 . 2 2 8 8 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 5025 2
29 . 2 2 8 8 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 5025 2
30 . 2 2 8 8 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 5025 2
31 . 2 2 8 8 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 5025 2
32 . 2 2 8 8 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 5025 2
33 . 2 2 8 8 VAL H H 1 8.96 0.01 . 1 . . . . . . . . 5025 2
34 . 2 2 8 8 VAL N N 15 122.84 0.01 . 1 . . . . . . . . 5025 2
35 . 2 2 9 9 TYR HA H 1 5.44 0.01 . 1 . . . . . . . . 5025 2
36 . 2 2 9 9 TYR HB2 H 1 3.26 0.01 . 2 . . . . . . . . 5025 2
37 . 2 2 9 9 TYR HB3 H 1 2.84 0.01 . 2 . . . . . . . . 5025 2
38 . 2 2 9 9 TYR H H 1 8.79 0.01 . 1 . . . . . . . . 5025 2
39 . 2 2 9 9 TYR N N 15 124.01 0.01 . 1 . . . . . . . . 5025 2
40 . 2 2 10 10 TYR HA H 1 5.43 0.01 . 1 . . . . . . . . 5025 2
41 . 2 2 10 10 TYR HB2 H 1 3.32 0.01 . 2 . . . . . . . . 5025 2
42 . 2 2 10 10 TYR HB3 H 1 2.95 0.01 . 2 . . . . . . . . 5025 2
43 . 2 2 10 10 TYR H H 1 9.57 0.01 . 1 . . . . . . . . 5025 2
44 . 2 2 10 10 TYR N N 15 116.51 0.01 . 1 . . . . . . . . 5025 2
45 . 2 2 11 11 THR HA H 1 3.70 0.01 . 1 . . . . . . . . 5025 2
46 . 2 2 11 11 THR H H 1 9.48 0.01 . 1 . . . . . . . . 5025 2
47 . 2 2 11 11 THR N N 15 119.32 0.01 . 1 . . . . . . . . 5025 2
48 . 2 2 12 12 CYS HA H 1 4.70 0.01 . 1 . . . . . . . . 5025 2
49 . 2 2 12 12 CYS HB2 H 1 3.15 0.01 . 2 . . . . . . . . 5025 2
50 . 2 2 12 12 CYS H H 1 9.40 0.01 . 1 . . . . . . . . 5025 2
51 . 2 2 12 12 CYS N N 15 120.49 0.01 . 1 . . . . . . . . 5025 2
52 . 2 2 13 13 CYS HA H 1 4.79 0.01 . 1 . . . . . . . . 5025 2
53 . 2 2 13 13 CYS HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5025 2
54 . 2 2 13 13 CYS H H 1 8.94 0.01 . 1 . . . . . . . . 5025 2
55 . 2 2 13 13 CYS N N 15 114.63 0.01 . 1 . . . . . . . . 5025 2
56 . 2 2 15 15 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 5025 2
57 . 2 2 15 15 ASP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5025 2
58 . 2 2 15 15 ASP HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5025 2
59 . 2 2 15 15 ASP H H 1 8.22 0.01 . 1 . . . . . . . . 5025 2
60 . 2 2 15 15 ASP N N 15 112.52 0.01 . 1 . . . . . . . . 5025 2
61 . 2 2 16 16 THR HA H 1 4.77 0.01 . 1 . . . . . . . . 5025 2
62 . 2 2 16 16 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5025 2
63 . 2 2 16 16 THR HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5025 2
64 . 2 2 16 16 THR HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5025 2
65 . 2 2 16 16 THR HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5025 2
66 . 2 2 16 16 THR H H 1 7.08 0.01 . 1 . . . . . . . . 5025 2
67 . 2 2 16 16 THR N N 15 111.82 0.01 . 1 . . . . . . . . 5025 2
68 . 2 2 18 18 TYR HA H 1 5.52 0.01 . 1 . . . . . . . . 5025 2
69 . 2 2 18 18 TYR HB2 H 1 4.04 0.01 . 2 . . . . . . . . 5025 2
70 . 2 2 18 18 TYR HB3 H 1 3.57 0.01 . 2 . . . . . . . . 5025 2
71 . 2 2 18 18 TYR H H 1 7.37 0.01 . 1 . . . . . . . . 5025 2
72 . 2 2 18 18 TYR N N 15 111.59 0.01 . 1 . . . . . . . . 5025 2
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save_