Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 250
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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_one . 250 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 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 250 1
2 . 1 1 1 1 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 250 1
3 . 1 1 1 1 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 250 1
4 . 1 1 1 1 GLU HG2 H 1 2.3 0.02 . 1 . . . . . . . . 250 1
5 . 1 1 1 1 GLU HG3 H 1 2.3 0.02 . 1 . . . . . . . . 250 1
6 . 1 1 2 2 CYS H H 1 9.08 0.02 . 1 . . . . . . . . 250 1
7 . 1 1 2 2 CYS HA H 1 4.64 0.02 . 1 . . . . . . . . 250 1
8 . 1 1 2 2 CYS HB2 H 1 2.7 0.02 . 2 . . . . . . . . 250 1
9 . 1 1 2 2 CYS HB3 H 1 3.62 0.02 . 2 . . . . . . . . 250 1
10 . 1 1 3 3 CYS H H 1 9.22 0.02 . 1 . . . . . . . . 250 1
11 . 1 1 3 3 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . 250 1
12 . 1 1 3 3 CYS HB2 H 1 2.9 0.02 . 2 . . . . . . . . 250 1
13 . 1 1 3 3 CYS HB3 H 1 3.38 0.02 . 2 . . . . . . . . 250 1
14 . 1 1 4 4 ASN H H 1 7.48 0.02 . 1 . . . . . . . . 250 1
15 . 1 1 4 4 ASN HA H 1 5.22 0.02 . 1 . . . . . . . . 250 1
16 . 1 1 4 4 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 250 1
17 . 1 1 4 4 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 250 1
18 . 1 1 4 4 ASN HD21 H 1 7 0.02 . 2 . . . . . . . . 250 1
19 . 1 1 4 4 ASN HD22 H 1 7.92 0.02 . 2 . . . . . . . . 250 1
20 . 1 1 5 5 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 250 1
21 . 1 1 5 5 PRO HB2 H 1 1.96 0.02 . 2 . . . . . . . . 250 1
22 . 1 1 5 5 PRO HB3 H 1 2.4 0.02 . 2 . . . . . . . . 250 1
23 . 1 1 5 5 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 250 1
24 . 1 1 5 5 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . 250 1
25 . 1 1 5 5 PRO HD2 H 1 3.8 0.02 . 2 . . . . . . . . 250 1
26 . 1 1 5 5 PRO HD3 H 1 3.95 0.02 . 2 . . . . . . . . 250 1
27 . 1 1 6 6 ALA H H 1 8.57 0.02 . 1 . . . . . . . . 250 1
28 . 1 1 6 6 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 250 1
29 . 1 1 6 6 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 250 1
30 . 1 1 6 6 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 250 1
31 . 1 1 6 6 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 250 1
32 . 1 1 7 7 CYS H H 1 8.14 0.02 . 1 . . . . . . . . 250 1
33 . 1 1 7 7 CYS HA H 1 4.36 0.02 . 1 . . . . . . . . 250 1
34 . 1 1 7 7 CYS HB2 H 1 2.71 0.02 . 2 . . . . . . . . 250 1
35 . 1 1 7 7 CYS HB3 H 1 3.48 0.02 . 2 . . . . . . . . 250 1
36 . 1 1 8 8 GLY H H 1 7.96 0.02 . 1 . . . . . . . . 250 1
37 . 1 1 8 8 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 250 1
38 . 1 1 8 8 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 250 1
39 . 1 1 9 9 ARG H H 1 9.06 0.02 . 1 . . . . . . . . 250 1
40 . 1 1 9 9 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 250 1
41 . 1 1 9 9 ARG HB2 H 1 1.67 0.02 . 2 . . . . . . . . 250 1
42 . 1 1 9 9 ARG HB3 H 1 1.76 0.02 . 2 . . . . . . . . 250 1
43 . 1 1 9 9 ARG HG2 H 1 1.3 0.02 . 2 . . . . . . . . 250 1
44 . 1 1 9 9 ARG HG3 H 1 1.52 0.02 . 2 . . . . . . . . 250 1
45 . 1 1 9 9 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 250 1
46 . 1 1 9 9 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 250 1
47 . 1 1 9 9 ARG HE H 1 7.23 0.02 . 1 . . . . . . . . 250 1
48 . 1 1 10 10 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 250 1
49 . 1 1 10 10 HIS HA H 1 4.81 0.02 . 1 . . . . . . . . 250 1
50 . 1 1 10 10 HIS HB2 H 1 3.21 0.02 . 2 . . . . . . . . 250 1
51 . 1 1 10 10 HIS HB3 H 1 3.33 0.02 . 2 . . . . . . . . 250 1
52 . 1 1 10 10 HIS HD2 H 1 7.36 0.02 . 1 . . . . . . . . 250 1
53 . 1 1 10 10 HIS HE1 H 1 8.62 0.02 . 1 . . . . . . . . 250 1
54 . 1 1 11 11 TYR H H 1 7.66 0.02 . 1 . . . . . . . . 250 1
55 . 1 1 11 11 TYR HA H 1 4.36 0.02 . 1 . . . . . . . . 250 1
56 . 1 1 11 11 TYR HB2 H 1 2.96 0.02 . 2 . . . . . . . . 250 1
57 . 1 1 11 11 TYR HB3 H 1 3.03 0.02 . 2 . . . . . . . . 250 1
58 . 1 1 11 11 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 250 1
59 . 1 1 11 11 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 250 1
60 . 1 1 11 11 TYR HE1 H 1 6.68 0.02 . 1 . . . . . . . . 250 1
61 . 1 1 11 11 TYR HE2 H 1 6.68 0.02 . 1 . . . . . . . . 250 1
62 . 1 1 12 12 SER H H 1 8.51 0.02 . 1 . . . . . . . . 250 1
63 . 1 1 12 12 SER HA H 1 4.3 0.02 . 1 . . . . . . . . 250 1
64 . 1 1 12 12 SER HB2 H 1 3.7 0.02 . 2 . . . . . . . . 250 1
65 . 1 1 12 12 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 250 1
66 . 1 1 13 13 CY3 H H 1 8.69 0.02 . 1 . . . . . . . . 250 1
67 . 1 1 13 13 CY3 HA H 1 4.64 0.02 . 1 . . . . . . . . 250 1
68 . 1 1 13 13 CY3 HB2 H 1 3.18 0.02 . 2 . . . . . . . . 250 1
69 . 1 1 13 13 CY3 HB3 H 1 2.6 0.02 . 2 . . . . . . . . 250 1
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