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 2957
_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 . 2957 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 3 3 PHE HD1 H 1 7.026 . . 1 . . . . . . . . 2957 1
2 . 1 1 3 3 PHE HD2 H 1 7.026 . . 1 . . . . . . . . 2957 1
3 . 1 1 3 3 PHE HE1 H 1 7.219 . . 1 . . . . . . . . 2957 1
4 . 1 1 3 3 PHE HE2 H 1 7.219 . . 1 . . . . . . . . 2957 1
5 . 1 1 3 3 PHE HZ H 1 7.511 . . 1 . . . . . . . . 2957 1
6 . 1 1 15 15 HIS HD2 H 1 7.205 . . 1 . . . . . . . . 2957 1
7 . 1 1 15 15 HIS HE1 H 1 8.34 . . 1 . . . . . . . . 2957 1
8 . 1 1 20 20 TYR HD1 H 1 7.22 . . 1 . . . . . . . . 2957 1
9 . 1 1 20 20 TYR HD2 H 1 7.22 . . 1 . . . . . . . . 2957 1
10 . 1 1 20 20 TYR HE1 H 1 6.987 . . 1 . . . . . . . . 2957 1
11 . 1 1 20 20 TYR HE2 H 1 6.987 . . 1 . . . . . . . . 2957 1
12 . 1 1 23 23 TYR HD1 H 1 7.052 . . 1 . . . . . . . . 2957 1
13 . 1 1 23 23 TYR HD2 H 1 7.052 . . 1 . . . . . . . . 2957 1
14 . 1 1 23 23 TYR HE1 H 1 6.711 . . 1 . . . . . . . . 2957 1
15 . 1 1 23 23 TYR HE2 H 1 6.711 . . 1 . . . . . . . . 2957 1
16 . 1 1 28 28 TRP HD1 H 1 7.313 . . 1 . . . . . . . . 2957 1
17 . 1 1 28 28 TRP HE1 H 1 9.36 . . 1 . . . . . . . . 2957 1
18 . 1 1 28 28 TRP HE3 H 1 6.767 . . 1 . . . . . . . . 2957 1
19 . 1 1 28 28 TRP HZ2 H 1 7.456 . . 1 . . . . . . . . 2957 1
20 . 1 1 28 28 TRP HZ3 H 1 6.294 . . 1 . . . . . . . . 2957 1
21 . 1 1 28 28 TRP HH2 H 1 6.817 . . 1 . . . . . . . . 2957 1
22 . 1 1 34 34 PHE HD1 H 1 7.255 . . 1 . . . . . . . . 2957 1
23 . 1 1 34 34 PHE HD2 H 1 7.255 . . 1 . . . . . . . . 2957 1
24 . 1 1 34 34 PHE HE1 H 1 7.375 . . 1 . . . . . . . . 2957 1
25 . 1 1 34 34 PHE HE2 H 1 7.375 . . 1 . . . . . . . . 2957 1
26 . 1 1 34 34 PHE HZ H 1 7.513 . . 1 . . . . . . . . 2957 1
27 . 1 1 38 38 PHE HD1 H 1 6.987 . . 1 . . . . . . . . 2957 1
28 . 1 1 38 38 PHE HD2 H 1 6.987 . . 1 . . . . . . . . 2957 1
29 . 1 1 38 38 PHE HE1 H 1 7.446 . . 1 . . . . . . . . 2957 1
30 . 1 1 38 38 PHE HE2 H 1 7.446 . . 1 . . . . . . . . 2957 1
31 . 1 1 38 38 PHE HZ H 1 6.971 . . 1 . . . . . . . . 2957 1
32 . 1 1 53 53 TYR HD1 H 1 7.118 . . 1 . . . . . . . . 2957 1
33 . 1 1 53 53 TYR HD2 H 1 7.118 . . 1 . . . . . . . . 2957 1
34 . 1 1 53 53 TYR HE1 H 1 6.834 . . 1 . . . . . . . . 2957 1
35 . 1 1 53 53 TYR HE2 H 1 6.834 . . 1 . . . . . . . . 2957 1
36 . 1 1 62 62 TRP HD1 H 1 7.112 . . 1 . . . . . . . . 2957 1
37 . 1 1 62 62 TRP HE1 H 1 10.05 . . 1 . . . . . . . . 2957 1
38 . 1 1 62 62 TRP HE3 H 1 7.106 . . 1 . . . . . . . . 2957 1
39 . 1 1 62 62 TRP HZ2 H 1 7.453 . . 1 . . . . . . . . 2957 1
40 . 1 1 62 62 TRP HZ3 H 1 7.027 . . 1 . . . . . . . . 2957 1
41 . 1 1 62 62 TRP HH2 H 1 7.192 . . 1 . . . . . . . . 2957 1
42 . 1 1 63 63 TRP HD1 H 1 7.651 . . 1 . . . . . . . . 2957 1
43 . 1 1 63 63 TRP HE1 H 1 10.21 . . 1 . . . . . . . . 2957 1
44 . 1 1 63 63 TRP HE3 H 1 7.762 . . 1 . . . . . . . . 2957 1
45 . 1 1 63 63 TRP HZ2 H 1 7.225 . . 1 . . . . . . . . 2957 1
46 . 1 1 63 63 TRP HZ3 H 1 6.847 . . 1 . . . . . . . . 2957 1
47 . 1 1 63 63 TRP HH2 H 1 7.085 . . 1 . . . . . . . . 2957 1
48 . 1 1 108 108 TRP HD1 H 1 7.103 . . 1 . . . . . . . . 2957 1
49 . 1 1 108 108 TRP HE1 H 1 9.98 . . 1 . . . . . . . . 2957 1
50 . 1 1 108 108 TRP HE3 H 1 7.364 . . 1 . . . . . . . . 2957 1
51 . 1 1 108 108 TRP HZ2 H 1 6.934 . . 1 . . . . . . . . 2957 1
52 . 1 1 108 108 TRP HZ3 H 1 6.499 . . 1 . . . . . . . . 2957 1
53 . 1 1 108 108 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 2957 1
54 . 1 1 111 111 TRP HD1 H 1 7.039 . . 1 . . . . . . . . 2957 1
55 . 1 1 111 111 TRP HE1 H 1 10.35 . . 1 . . . . . . . . 2957 1
56 . 1 1 111 111 TRP HE3 H 1 7.277 . . 1 . . . . . . . . 2957 1
57 . 1 1 111 111 TRP HZ2 H 1 7.51 . . 1 . . . . . . . . 2957 1
58 . 1 1 111 111 TRP HZ3 H 1 7.044 . . 1 . . . . . . . . 2957 1
59 . 1 1 111 111 TRP HH2 H 1 7.351 . . 1 . . . . . . . . 2957 1
60 . 1 1 123 123 TRP HD1 H 1 7.547 . . 1 . . . . . . . . 2957 1
61 . 1 1 123 123 TRP HE1 H 1 10.68 . . 1 . . . . . . . . 2957 1
62 . 1 1 123 123 TRP HE3 H 1 7.526 . . 1 . . . . . . . . 2957 1
63 . 1 1 123 123 TRP HZ2 H 1 7.765 . . 1 . . . . . . . . 2957 1
64 . 1 1 123 123 TRP HZ3 H 1 7.14 . . 1 . . . . . . . . 2957 1
65 . 1 1 123 123 TRP HH2 H 1 7.105 . . 1 . . . . . . . . 2957 1
stop_
save_