Content for NMR-STAR saveframe, "chem_shift_set_1"
save_chem_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4420
_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 . 4420 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 GLY HA2 H 1 3.815 . . 1 . . . . . . . . 4420 1
2 . 1 1 1 1 GLY HA3 H 1 3.869 . . 1 . . . . . . . . 4420 1
3 . 1 1 2 2 CYS H H 1 8.771 . . 1 . . . . . . . . 4420 1
4 . 1 1 2 2 CYS HA H 1 4.560 . . 1 . . . . . . . . 4420 1
5 . 1 1 2 2 CYS HB3 H 1 2.772 . . 1 . . . . . . . . 4420 1
6 . 1 1 2 2 CYS HB2 H 1 3.290 . . 1 . . . . . . . . 4420 1
7 . 1 1 3 3 CYS H H 1 8.352 . . 1 . . . . . . . . 4420 1
8 . 1 1 3 3 CYS HA H 1 4.360 . . 1 . . . . . . . . 4420 1
9 . 1 1 3 3 CYS HB2 H 1 2.826 . . 1 . . . . . . . . 4420 1
10 . 1 1 3 3 CYS HB3 H 1 3.334 . . 1 . . . . . . . . 4420 1
11 . 1 1 4 4 SER H H 1 7.979 . . 1 . . . . . . . . 4420 1
12 . 1 1 4 4 SER HA H 1 4.477 . . 1 . . . . . . . . 4420 1
13 . 1 1 4 4 SER HB2 H 1 3.863 . . 1 . . . . . . . . 4420 1
14 . 1 1 4 4 SER HB3 H 1 3.957 . . 1 . . . . . . . . 4420 1
15 . 1 1 5 5 ASP H H 1 7.981 . . 1 . . . . . . . . 4420 1
16 . 1 1 5 5 ASP HA H 1 5.124 . . 1 . . . . . . . . 4420 1
17 . 1 1 5 5 ASP HB2 H 1 2.724 . . 1 . . . . . . . . 4420 1
18 . 1 1 5 5 ASP HB3 H 1 3.180 . . 1 . . . . . . . . 4420 1
19 . 1 1 6 6 PRO HA H 1 4.355 . . 1 . . . . . . . . 4420 1
20 . 1 1 6 6 PRO HB2 H 1 1.967 . . 1 . . . . . . . . 4420 1
21 . 1 1 6 6 PRO HB3 H 1 2.417 . . 1 . . . . . . . . 4420 1
22 . 1 1 6 6 PRO HG2 H 1 2.057 . . 1 . . . . . . . . 4420 1
23 . 1 1 6 6 PRO HG3 H 1 2.057 . . 1 . . . . . . . . 4420 1
24 . 1 1 6 6 PRO HD2 H 1 3.932 . . 1 . . . . . . . . 4420 1
25 . 1 1 6 6 PRO HD3 H 1 3.987 . . 1 . . . . . . . . 4420 1
26 . 1 1 7 7 ARG H H 1 8.273 . . 1 . . . . . . . . 4420 1
27 . 1 1 7 7 ARG HA H 1 4.296 . . 1 . . . . . . . . 4420 1
28 . 1 1 7 7 ARG HB2 H 1 1.783 . . 1 . . . . . . . . 4420 1
29 . 1 1 7 7 ARG HB3 H 1 1.930 . . 1 . . . . . . . . 4420 1
30 . 1 1 7 7 ARG HG2 H 1 1.676 . . 1 . . . . . . . . 4420 1
31 . 1 1 7 7 ARG HG3 H 1 1.676 . . 1 . . . . . . . . 4420 1
32 . 1 1 7 7 ARG HD2 H 1 3.201 . . 1 . . . . . . . . 4420 1
33 . 1 1 7 7 ARG HD3 H 1 3.201 . . 1 . . . . . . . . 4420 1
34 . 1 1 7 7 ARG HE H 1 7.394 . . 1 . . . . . . . . 4420 1
35 . 1 1 8 8 CYS H H 1 8.037 . . 1 . . . . . . . . 4420 1
36 . 1 1 8 8 CYS HA H 1 4.378 . . 1 . . . . . . . . 4420 1
37 . 1 1 8 8 CYS HB2 H 1 3.103 . . 1 . . . . . . . . 4420 1
38 . 1 1 8 8 CYS HB3 H 1 3.562 . . 1 . . . . . . . . 4420 1
39 . 1 1 9 9 ALA H H 1 8.128 . . 1 . . . . . . . . 4420 1
40 . 1 1 9 9 ALA HA H 1 4.119 . . 1 . . . . . . . . 4420 1
41 . 1 1 9 9 ALA HB1 H 1 1.352 . . 1 . . . . . . . . 4420 1
42 . 1 1 9 9 ALA HB2 H 1 1.352 . . 1 . . . . . . . . 4420 1
43 . 1 1 9 9 ALA HB3 H 1 1.352 . . 1 . . . . . . . . 4420 1
44 . 1 1 10 10 TRP H H 1 7.769 . . 1 . . . . . . . . 4420 1
45 . 1 1 10 10 TRP HA H 1 4.480 . . 1 . . . . . . . . 4420 1
46 . 1 1 10 10 TRP HB3 H 1 3.203 . . 1 . . . . . . . . 4420 1
47 . 1 1 10 10 TRP HB2 H 1 3.389 . . 1 . . . . . . . . 4420 1
48 . 1 1 10 10 TRP HD1 H 1 7.293 . . 1 . . . . . . . . 4420 1
49 . 1 1 10 10 TRP HE3 H 1 7.464 . . 1 . . . . . . . . 4420 1
50 . 1 1 10 10 TRP HE1 H 1 10.013 . . 1 . . . . . . . . 4420 1
51 . 1 1 10 10 TRP HZ3 H 1 7.109 . . 1 . . . . . . . . 4420 1
52 . 1 1 10 10 TRP HZ2 H 1 7.460 . . 1 . . . . . . . . 4420 1
53 . 1 1 10 10 TRP HH2 H 1 7.184 . . 1 . . . . . . . . 4420 1
54 . 1 1 11 11 ARG H H 1 7.691 . . 1 . . . . . . . . 4420 1
55 . 1 1 11 11 ARG HA H 1 3.818 . . 1 . . . . . . . . 4420 1
56 . 1 1 11 11 ARG HB2 H 1 1.392 . . 1 . . . . . . . . 4420 1
57 . 1 1 11 11 ARG HB3 H 1 1.392 . . 1 . . . . . . . . 4420 1
58 . 1 1 11 11 ARG HG2 H 1 0.591 . . 1 . . . . . . . . 4420 1
59 . 1 1 11 11 ARG HG3 H 1 0.591 . . 1 . . . . . . . . 4420 1
60 . 1 1 11 11 ARG HD2 H 1 2.893 . . 1 . . . . . . . . 4420 1
61 . 1 1 11 11 ARG HD3 H 1 2.893 . . 1 . . . . . . . . 4420 1
62 . 1 1 11 11 ARG HE H 1 6.971 . . 1 . . . . . . . . 4420 1
63 . 1 1 12 12 CYS H H 1 7.965 . . 1 . . . . . . . . 4420 1
64 . 1 1 12 12 CYS HA H 1 4.539 . . 1 . . . . . . . . 4420 1
65 . 1 1 12 12 CYS HB2 H 1 3.113 . . 1 . . . . . . . . 4420 1
66 . 1 1 12 12 CYS HB3 H 1 3.424 . . 1 . . . . . . . . 4420 1
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save_