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 6423
_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 . 6423 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 TYR HA H 1 3.930 0.000 . . . . . . . . . . 6423 1
2 . 1 1 1 1 TYR HB2 H 1 3.059 0.006 . . . . . . . . . . 6423 1
3 . 1 1 1 1 TYR HB3 H 1 2.730 0.002 . . . . . . . . . . 6423 1
4 . 1 1 1 1 TYR HD1 H 1 7.047 0.003 . . . . . . . . . . 6423 1
5 . 1 1 1 1 TYR HE1 H 1 6.669 0.006 . . . . . . . . . . 6423 1
6 . 1 1 2 2 CYS H H 1 8.774 0.004 . . . . . . . . . . 6423 1
7 . 1 1 2 2 CYS HA H 1 4.778 0.001 . . . . . . . . . . 6423 1
8 . 1 1 2 2 CYS HB2 H 1 3.152 0.002 . . . . . . . . . . 6423 1
9 . 1 1 2 2 CYS HB3 H 1 2.864 0.002 . . . . . . . . . . 6423 1
10 . 1 1 3 3 LYS H H 1 8.513 0.004 . . . . . . . . . . 6423 1
11 . 1 1 3 3 LYS HA H 1 4.268 0.008 . . . . . . . . . . 6423 1
12 . 1 1 3 3 LYS HB2 H 1 1.557 0.000 . . . . . . . . . . 6423 1
13 . 1 1 3 3 LYS HG2 H 1 1.303 0.000 . . . . . . . . . . 6423 1
14 . 1 1 3 3 LYS HD2 H 1 1.464 0.000 . . . . . . . . . . 6423 1
15 . 1 1 3 3 LYS HE2 H 1 2.714 0.000 . . . . . . . . . . 6423 1
16 . 1 1 3 3 LYS HZ1 H 1 7.859 0.000 . . . . . . . . . . 6423 1
17 . 1 1 3 3 LYS HZ2 H 1 7.859 0.000 . . . . . . . . . . 6423 1
18 . 1 1 3 3 LYS HZ3 H 1 7.859 0.000 . . . . . . . . . . 6423 1
19 . 1 1 4 4 PHE H H 1 8.289 0.002 . . . . . . . . . . 6423 1
20 . 1 1 4 4 PHE HA H 1 4.622 0.000 . . . . . . . . . . 6423 1
21 . 1 1 4 4 PHE HB2 H 1 2.890 0.003 . . . . . . . . . . 6423 1
22 . 1 1 4 4 PHE HB3 H 1 2.757 0.004 . . . . . . . . . . 6423 1
23 . 1 1 4 4 PHE HD1 H 1 7.143 0.000 . . . . . . . . . . 6423 1
24 . 1 1 4 4 PHE HE1 H 1 6.849 0.164 . . . . . . . . . . 6423 1
25 . 1 1 4 4 PHE HZ H 1 7.062 0.000 . . . . . . . . . . 6423 1
26 . 1 1 5 5 AA4 H H 1 8.210 0.000 . . . . . . . . . . 6423 1
27 . 1 1 5 5 AA4 HA H 1 4.234 0.001 . . . . . . . . . . 6423 1
28 . 1 1 5 5 AA4 HB2 H 1 1.765 0.003 . . . . . . . . . . 6423 1
29 . 1 1 5 5 AA4 HB3 H 1 1.588 0.000 . . . . . . . . . . 6423 1
30 . 1 1 5 5 AA4 HG2 H 1 1.920 0.001 . . . . . . . . . . 6423 1
31 . 1 1 5 5 AA4 HG3 H 1 1.842 0.000 . . . . . . . . . . 6423 1
32 . 1 1 6 6 DTR H H 1 8.219 0.002 . . . . . . . . . . 6423 1
33 . 1 1 6 6 DTR HA H 1 4.371 0.001 . . . . . . . . . . 6423 1
34 . 1 1 6 6 DTR HB2 H 1 2.906 0.008 . . . . . . . . . . 6423 1
35 . 1 1 6 6 DTR HB3 H 1 2.663 0.000 . . . . . . . . . . 6423 1
36 . 1 1 6 6 DTR HD1 H 1 6.999 0.000 . . . . . . . . . . 6423 1
37 . 1 1 6 6 DTR HE3 H 1 7.541 0.002 . . . . . . . . . . 6423 1
38 . 1 1 6 6 DTR HE1 H 1 10.780 0.004 . . . . . . . . . . 6423 1
39 . 1 1 6 6 DTR HZ2 H 1 7.301 0.000 . . . . . . . . . . 6423 1
40 . 1 1 6 6 DTR HH2 H 1 7.063 0.004 . . . . . . . . . . 6423 1
41 . 1 1 6 6 DTR HZ3 H 1 7.014 0.000 . . . . . . . . . . 6423 1
42 . 1 1 7 7 IAM H H 1 8.783 0.001 . . . . . . . . . . 6423 1
43 . 1 1 7 7 IAM HA H 1 4.391 0.001 . . . . . . . . . . 6423 1
44 . 1 1 7 7 IAM HB2 H 1 3.089 0.002 . . . . . . . . . . 6423 1
45 . 1 1 7 7 IAM HB3 H 1 2.664 0.000 . . . . . . . . . . 6423 1
46 . 1 1 7 7 IAM HD1 H 1 7.293 0.000 . . . . . . . . . . 6423 1
47 . 1 1 7 7 IAM HE1 H 1 7.321 0.004 . . . . . . . . . . 6423 1
48 . 1 1 7 7 IAM HT H 1 4.019 0.004 . . . . . . . . . . 6423 1
49 . 1 1 7 7 IAM HI H 1 3.126 0.002 . . . . . . . . . . 6423 1
50 . 1 1 7 7 IAM HK H 1 1.112 0.004 . . . . . . . . . . 6423 1
51 . 1 1 8 8 THR H H 1 7.366 0.002 . . . . . . . . . . 6423 1
52 . 1 1 8 8 THR HA H 1 4.370 0.001 . . . . . . . . . . 6423 1
53 . 1 1 8 8 THR HB H 1 4.022 0.000 . . . . . . . . . . 6423 1
54 . 1 1 8 8 THR HG21 H 1 1.004 0.001 . . . . . . . . . . 6423 1
55 . 1 1 8 8 THR HG22 H 1 1.004 0.001 . . . . . . . . . . 6423 1
56 . 1 1 8 8 THR HG23 H 1 1.004 0.001 . . . . . . . . . . 6423 1
57 . 1 1 9 9 PHE H H 1 8.365 0.002 . . . . . . . . . . 6423 1
58 . 1 1 9 9 PHE HA H 1 4.434 0.002 . . . . . . . . . . 6423 1
59 . 1 1 9 9 PHE HB2 H 1 3.006 0.000 . . . . . . . . . . 6423 1
60 . 1 1 9 9 PHE HB3 H 1 2.750 0.000 . . . . . . . . . . 6423 1
61 . 1 1 9 9 PHE HD1 H 1 7.134 0.002 . . . . . . . . . . 6423 1
62 . 1 1 9 9 PHE HE1 H 1 6.668 0.000 . . . . . . . . . . 6423 1
63 . 1 1 9 9 PHE HZ H 1 7.039 0.000 . . . . . . . . . . 6423 1
64 . 1 1 10 10 193 H H 1 7.791 0.003 . . . . . . . . . . 6423 1
65 . 1 1 10 10 193 HA H 1 4.357 0.001 . . . . . . . . . . 6423 1
66 . 1 1 10 10 193 HB2 H 1 3.171 0.000 . . . . . . . . . . 6423 1
67 . 1 1 10 10 193 HG2 H 1 2.251 0.003 . . . . . . . . . . 6423 1
68 . 1 1 10 10 193 HG3 H 1 2.164 0.000 . . . . . . . . . . 6423 1
69 . 1 1 10 10 193 HD H 1 7.816 0.002 . . . . . . . . . . 6423 1
70 . 1 1 10 10 193 HZ2 H 1 1.778 0.003 . . . . . . . . . . 6423 1
71 . 1 1 10 10 193 HZ3 H 1 1.527 0.006 . . . . . . . . . . 6423 1
72 . 1 1 10 10 193 HT2 H 1 4.355 0.005 . . . . . . . . . . 6423 1
73 . 1 1 10 10 193 HT3 H 1 3.026 0.001 . . . . . . . . . . 6423 1
74 . 1 1 10 10 193 HH H 1 7.866 0.002 . . . . . . . . . . 6423 1
75 . 1 1 11 11 SER H H 1 8.098 0.001 . . . . . . . . . . 6423 1
76 . 1 1 11 11 SER HA H 1 4.212 0.000 . . . . . . . . . . 6423 1
77 . 1 1 11 11 SER HB2 H 1 3.623 0.000 . . . . . . . . . . 6423 1
78 . 1 1 11 11 SER HB3 H 1 3.562 0.004 . . . . . . . . . . 6423 1
79 . 1 1 12 12 CYS H H 1 7.980 0.000 . . . . . . . . . . 6423 1
80 . 1 1 12 12 CYS HA H 1 4.308 0.000 . . . . . . . . . . 6423 1
81 . 1 1 12 12 CYS HB2 H 1 3.026 0.001 . . . . . . . . . . 6423 1
82 . 1 1 12 12 CYS HB3 H 1 2.966 0.000 . . . . . . . . . . 6423 1
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