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 252
_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 . 252 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 VAL HA H 1 3.69 . . 1 . . . . . . . . 252 1
2 . 1 1 1 1 VAL HB H 1 2.01 . . 1 . . . . . . . . 252 1
3 . 1 1 1 1 VAL HG11 H 1 .82 . . 2 . . . . . . . . 252 1
4 . 1 1 1 1 VAL HG12 H 1 .82 . . 2 . . . . . . . . 252 1
5 . 1 1 1 1 VAL HG13 H 1 .82 . . 2 . . . . . . . . 252 1
6 . 1 1 1 1 VAL HG21 H 1 .88 . . 2 . . . . . . . . 252 1
7 . 1 1 1 1 VAL HG22 H 1 .88 . . 2 . . . . . . . . 252 1
8 . 1 1 1 1 VAL HG23 H 1 .88 . . 2 . . . . . . . . 252 1
9 . 1 1 2 2 LYS H H 1 8.17 . . 1 . . . . . . . . 252 1
10 . 1 1 2 2 LYS HA H 1 4.41 . . 1 . . . . . . . . 252 1
11 . 1 1 2 2 LYS HB2 H 1 1.5 . . 2 . . . . . . . . 252 1
12 . 1 1 2 2 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 252 1
13 . 1 1 2 2 LYS HG2 H 1 1.2 . . 1 . . . . . . . . 252 1
14 . 1 1 2 2 LYS HG3 H 1 1.2 . . 1 . . . . . . . . 252 1
15 . 1 1 2 2 LYS HD2 H 1 1.5 . . 1 . . . . . . . . 252 1
16 . 1 1 2 2 LYS HD3 H 1 1.5 . . 1 . . . . . . . . 252 1
17 . 1 1 2 2 LYS HE2 H 1 2.51 . . 1 . . . . . . . . 252 1
18 . 1 1 2 2 LYS HE3 H 1 2.51 . . 1 . . . . . . . . 252 1
19 . 1 1 3 3 CYS H H 1 8.27 . . 1 . . . . . . . . 252 1
20 . 1 1 3 3 CYS HA H 1 4.1 . . 1 . . . . . . . . 252 1
21 . 1 1 3 3 CYS HB2 H 1 2.79 . . 2 . . . . . . . . 252 1
22 . 1 1 3 3 CYS HB3 H 1 1.78 . . 2 . . . . . . . . 252 1
23 . 1 1 4 4 PHE H H 1 8.67 . . 1 . . . . . . . . 252 1
24 . 1 1 4 4 PHE HA H 1 4.5 . . 1 . . . . . . . . 252 1
25 . 1 1 4 4 PHE HB2 H 1 3.15 . . 1 . . . . . . . . 252 1
26 . 1 1 4 4 PHE HB3 H 1 3.15 . . 1 . . . . . . . . 252 1
27 . 1 1 5 5 ASN H H 1 9.58 . . 1 . . . . . . . . 252 1
28 . 1 1 5 5 ASN HA H 1 4.75 . . 1 . . . . . . . . 252 1
29 . 1 1 5 5 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 252 1
30 . 1 1 5 5 ASN HB3 H 1 3.13 . . 2 . . . . . . . . 252 1
31 . 1 1 5 5 ASN HD21 H 1 7.07 . . 2 . . . . . . . . 252 1
32 . 1 1 5 5 ASN HD22 H 1 8.21 . . 2 . . . . . . . . 252 1
33 . 1 1 6 6 CYS H H 1 8.83 . . 1 . . . . . . . . 252 1
34 . 1 1 6 6 CYS HA H 1 4.88 . . 1 . . . . . . . . 252 1
35 . 1 1 6 6 CYS HB2 H 1 3.2 . . 2 . . . . . . . . 252 1
36 . 1 1 6 6 CYS HB3 H 1 2.53 . . 2 . . . . . . . . 252 1
37 . 1 1 7 7 GLY H H 1 7.93 . . 1 . . . . . . . . 252 1
38 . 1 1 7 7 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 252 1
39 . 1 1 7 7 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 252 1
40 . 1 1 8 8 LYS H H 1 8.17 . . 1 . . . . . . . . 252 1
41 . 1 1 8 8 LYS HA H 1 4.37 . . 1 . . . . . . . . 252 1
42 . 1 1 8 8 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 252 1
43 . 1 1 8 8 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 252 1
44 . 1 1 8 8 LYS HG2 H 1 1.62 . . 2 . . . . . . . . 252 1
45 . 1 1 8 8 LYS HG3 H 1 1.47 . . 2 . . . . . . . . 252 1
46 . 1 1 8 8 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 252 1
47 . 1 1 8 8 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 252 1
48 . 1 1 8 8 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 252 1
49 . 1 1 8 8 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 252 1
50 . 1 1 9 9 GLU H H 1 8.38 . . 1 . . . . . . . . 252 1
51 . 1 1 9 9 GLU HA H 1 4.5 . . 1 . . . . . . . . 252 1
52 . 1 1 9 9 GLU HB2 H 1 1.87 . . 2 . . . . . . . . 252 1
53 . 1 1 9 9 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 252 1
54 . 1 1 9 9 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 252 1
55 . 1 1 9 9 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 252 1
56 . 1 1 10 10 GLY H H 1 8.43 . . 1 . . . . . . . . 252 1
57 . 1 1 10 10 GLY HA2 H 1 4.4 . . 2 . . . . . . . . 252 1
58 . 1 1 10 10 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 252 1
59 . 1 1 11 11 HIS H H 1 8.3 . . 1 . . . . . . . . 252 1
60 . 1 1 11 11 HIS HA H 1 4.74 . . 1 . . . . . . . . 252 1
61 . 1 1 11 11 HIS HB2 H 1 3.15 . . 1 . . . . . . . . 252 1
62 . 1 1 11 11 HIS HB3 H 1 3.15 . . 1 . . . . . . . . 252 1
63 . 1 1 11 11 HIS HD2 H 1 6.87 . . 1 . . . . . . . . 252 1
64 . 1 1 11 11 HIS HE1 H 1 7.42 . . 1 . . . . . . . . 252 1
65 . 1 1 12 12 ILE H H 1 7.84 . . 1 . . . . . . . . 252 1
66 . 1 1 12 12 ILE HA H 1 4.69 . . 1 . . . . . . . . 252 1
67 . 1 1 12 12 ILE HB H 1 2.1 . . 1 . . . . . . . . 252 1
68 . 1 1 12 12 ILE HG12 H 1 1.21 . . 1 . . . . . . . . 252 1
69 . 1 1 12 12 ILE HG13 H 1 1.21 . . 1 . . . . . . . . 252 1
70 . 1 1 12 12 ILE HG21 H 1 .87 . . 1 . . . . . . . . 252 1
71 . 1 1 12 12 ILE HG22 H 1 .87 . . 1 . . . . . . . . 252 1
72 . 1 1 12 12 ILE HG23 H 1 .87 . . 1 . . . . . . . . 252 1
73 . 1 1 12 12 ILE HD11 H 1 .9 . . 1 . . . . . . . . 252 1
74 . 1 1 12 12 ILE HD12 H 1 .9 . . 1 . . . . . . . . 252 1
75 . 1 1 12 12 ILE HD13 H 1 .9 . . 1 . . . . . . . . 252 1
76 . 1 1 13 13 ALA H H 1 8.72 . . 1 . . . . . . . . 252 1
77 . 1 1 13 13 ALA HA H 1 4.75 . . 1 . . . . . . . . 252 1
78 . 1 1 13 13 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 252 1
79 . 1 1 13 13 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 252 1
80 . 1 1 13 13 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 252 1
81 . 1 1 14 14 ARG H H 1 8.22 . . 1 . . . . . . . . 252 1
82 . 1 1 14 14 ARG HA H 1 4.12 . . 1 . . . . . . . . 252 1
83 . 1 1 14 14 ARG HB2 H 1 1.6 . . 2 . . . . . . . . 252 1
84 . 1 1 14 14 ARG HB3 H 1 1.9 . . 2 . . . . . . . . 252 1
85 . 1 1 14 14 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 252 1
86 . 1 1 14 14 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 252 1
87 . 1 1 14 14 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 252 1
88 . 1 1 14 14 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 252 1
89 . 1 1 15 15 ASN H H 1 8.01 . . 1 . . . . . . . . 252 1
90 . 1 1 15 15 ASN HA H 1 5.05 . . 1 . . . . . . . . 252 1
91 . 1 1 15 15 ASN HB2 H 1 2.59 . . 2 . . . . . . . . 252 1
92 . 1 1 15 15 ASN HB3 H 1 3.11 . . 2 . . . . . . . . 252 1
93 . 1 1 15 15 ASN HD21 H 1 7 . . 2 . . . . . . . . 252 1
94 . 1 1 15 15 ASN HD22 H 1 7.91 . . 2 . . . . . . . . 252 1
95 . 1 1 16 16 CYS H H 1 7.65 . . 1 . . . . . . . . 252 1
96 . 1 1 16 16 CYS HA H 1 3.77 . . 1 . . . . . . . . 252 1
97 . 1 1 16 16 CYS HB2 H 1 3.33 . . 2 . . . . . . . . 252 1
98 . 1 1 16 16 CYS HB3 H 1 3.02 . . 2 . . . . . . . . 252 1
99 . 1 1 17 17 ARG H H 1 8.38 . . 1 . . . . . . . . 252 1
100 . 1 1 17 17 ARG HA H 1 4.55 . . 1 . . . . . . . . 252 1
101 . 1 1 17 17 ARG HB2 H 1 1.56 . . 2 . . . . . . . . 252 1
102 . 1 1 17 17 ARG HB3 H 1 1.99 . . 2 . . . . . . . . 252 1
103 . 1 1 17 17 ARG HG2 H 1 1.56 . . 1 . . . . . . . . 252 1
104 . 1 1 17 17 ARG HG3 H 1 1.56 . . 1 . . . . . . . . 252 1
105 . 1 1 17 17 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 252 1
106 . 1 1 17 17 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 252 1
107 . 1 1 18 18 ALA H H 1 8.39 . . 1 . . . . . . . . 252 1
108 . 1 1 18 18 ALA HA H 1 4.07 . . 1 . . . . . . . . 252 1
109 . 1 1 18 18 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 252 1
110 . 1 1 18 18 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 252 1
111 . 1 1 18 18 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 252 1
stop_
save_