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 2201
_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 . 2201 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 ASN HB2 H 1 2.86 . . 1 . . . . . . . . 2201 1
2 . 1 1 1 1 ASN HB3 H 1 2.86 . . 1 . . . . . . . . 2201 1
3 . 1 1 1 1 ASN HD21 H 1 6.99 . . 1 . . . . . . . . 2201 1
4 . 1 1 1 1 ASN HD22 H 1 7.58 . . 1 . . . . . . . . 2201 1
5 . 1 1 3 3 TYR H H 1 8.34 . . 1 . . . . . . . . 2201 1
6 . 1 1 3 3 TYR HA H 1 4.9 . . 1 . . . . . . . . 2201 1
7 . 1 1 3 3 TYR HB2 H 1 2.73 . . 2 . . . . . . . . 2201 1
8 . 1 1 3 3 TYR HB3 H 1 3.08 . . 2 . . . . . . . . 2201 1
9 . 1 1 14 14 CYS H H 1 8.73 . . 1 . . . . . . . . 2201 1
10 . 1 1 14 14 CYS HA H 1 4.39 . . 1 . . . . . . . . 2201 1
11 . 1 1 14 14 CYS HB2 H 1 2.58 . . 1 . . . . . . . . 2201 1
12 . 1 1 14 14 CYS HB3 H 1 2.26 . . 1 . . . . . . . . 2201 1
13 . 1 1 16 16 ASN H H 1 8.98 . . 1 . . . . . . . . 2201 1
14 . 1 1 16 16 ASN HA H 1 4.03 . . 1 . . . . . . . . 2201 1
15 . 1 1 16 16 ASN HB2 H 1 1.98 . . 1 . . . . . . . . 2201 1
16 . 1 1 16 16 ASN HB3 H 1 1.37 . . 1 . . . . . . . . 2201 1
17 . 1 1 16 16 ASN HD21 H 1 7.21 . . 1 . . . . . . . . 2201 1
18 . 1 1 16 16 ASN HD22 H 1 8.03 . . 1 . . . . . . . . 2201 1
19 . 1 1 20 20 CYS H H 1 8.86 . . 1 . . . . . . . . 2201 1
20 . 1 1 20 20 CYS HA H 1 5.01 . . 1 . . . . . . . . 2201 1
21 . 1 1 20 20 CYS HB2 H 1 3.36 . . 1 . . . . . . . . 2201 1
22 . 1 1 20 20 CYS HB3 H 1 3.13 . . 1 . . . . . . . . 2201 1
23 . 1 1 22 22 HIS H H 1 8.79 . . 1 . . . . . . . . 2201 1
24 . 1 1 22 22 HIS HA H 1 5.16 . . 1 . . . . . . . . 2201 1
25 . 1 1 22 22 HIS HB2 H 1 2.91 . . 2 . . . . . . . . 2201 1
26 . 1 1 22 22 HIS HB3 H 1 3.19 . . 2 . . . . . . . . 2201 1
27 . 1 1 26 26 LEU H H 1 6.92 . . 1 . . . . . . . . 2201 1
28 . 1 1 26 26 LEU HA H 1 4.41 . . 1 . . . . . . . . 2201 1
29 . 1 1 26 26 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 2201 1
30 . 1 1 26 26 LEU HB3 H 1 1.44 . . 1 . . . . . . . . 2201 1
31 . 1 1 27 27 ASP H H 1 8.02 . . 1 . . . . . . . . 2201 1
32 . 1 1 27 27 ASP HA H 1 4.34 . . 1 . . . . . . . . 2201 1
33 . 1 1 27 27 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 2201 1
34 . 1 1 27 27 ASP HB3 H 1 3.17 . . 2 . . . . . . . . 2201 1
35 . 1 1 28 28 SER H H 1 7.19 . . 1 . . . . . . . . 2201 1
36 . 1 1 28 28 SER HA H 1 4.6 . . 1 . . . . . . . . 2201 1
37 . 1 1 28 28 SER HB2 H 1 3.65 . . 1 . . . . . . . . 2201 1
38 . 1 1 28 28 SER HB3 H 1 3.52 . . 1 . . . . . . . . 2201 1
39 . 1 1 29 29 TYR H H 1 8.43 . . 1 . . . . . . . . 2201 1
40 . 1 1 29 29 TYR HA H 1 5.24 . . 1 . . . . . . . . 2201 1
41 . 1 1 29 29 TYR HB2 H 1 2.28 . . 1 . . . . . . . . 2201 1
42 . 1 1 29 29 TYR HB3 H 1 2.48 . . 1 . . . . . . . . 2201 1
43 . 1 1 31 31 CYS H H 1 8.64 . . 1 . . . . . . . . 2201 1
44 . 1 1 31 31 CYS HA H 1 5.29 . . 1 . . . . . . . . 2201 1
45 . 1 1 31 31 CYS HB2 H 1 2.77 . . 1 . . . . . . . . 2201 1
46 . 1 1 31 31 CYS HB3 H 1 2.59 . . 1 . . . . . . . . 2201 1
47 . 1 1 32 32 ASN H H 1 9.41 . . 1 . . . . . . . . 2201 1
48 . 1 1 32 32 ASN HA H 1 5.01 . . 1 . . . . . . . . 2201 1
49 . 1 1 32 32 ASN HB2 H 1 2.98 . . 2 . . . . . . . . 2201 1
50 . 1 1 32 32 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 2201 1
51 . 1 1 32 32 ASN HD21 H 1 6.8 . . 1 . . . . . . . . 2201 1
52 . 1 1 32 32 ASN HD22 H 1 7.23 . . 1 . . . . . . . . 2201 1
53 . 1 1 43 43 GLN HG2 H 1 1.77 . . 2 . . . . . . . . 2201 1
54 . 1 1 43 43 GLN HG3 H 1 2.18 . . 2 . . . . . . . . 2201 1
55 . 1 1 43 43 GLN HE21 H 1 6.89 . . 1 . . . . . . . . 2201 1
56 . 1 1 43 43 GLN HE22 H 1 7.64 . . 1 . . . . . . . . 2201 1
57 . 1 1 46 46 ASP H H 1 8.5 . . 1 . . . . . . . . 2201 1
58 . 1 1 46 46 ASP HA H 1 4.62 . . 1 . . . . . . . . 2201 1
59 . 1 1 46 46 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 2201 1
60 . 1 1 46 46 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 2201 1
61 . 1 1 48 48 ARG H H 1 8.19 . . 1 . . . . . . . . 2201 1
62 . 1 1 48 48 ARG HA H 1 3.82 . . 1 . . . . . . . . 2201 1
63 . 1 1 48 48 ARG HB2 H 1 1.3 . . 2 . . . . . . . . 2201 1
64 . 1 1 48 48 ARG HB3 H 1 1.43 . . 2 . . . . . . . . 2201 1
65 . 1 1 49 49 TRP H H 1 7.58 . . 1 . . . . . . . . 2201 1
66 . 1 1 49 49 TRP HA H 1 4.21 . . 1 . . . . . . . . 2201 1
67 . 1 1 49 49 TRP HB2 H 1 3.22 . . 2 . . . . . . . . 2201 1
68 . 1 1 49 49 TRP HB3 H 1 3.12 . . 2 . . . . . . . . 2201 1
69 . 1 1 50 50 TRP H H 1 7.14 . . 1 . . . . . . . . 2201 1
70 . 1 1 50 50 TRP HA H 1 4.25 . . 1 . . . . . . . . 2201 1
71 . 1 1 50 50 TRP HB2 H 1 3.05 . . 2 . . . . . . . . 2201 1
72 . 1 1 50 50 TRP HB3 H 1 2.77 . . 2 . . . . . . . . 2201 1
stop_
save_