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 248
_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 . 248 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 H H 1 8.56 . . 1 . . . . . . . . 248 1
2 . 1 1 1 1 GLY HA2 H 1 4.43 . . 2 . . . . . . . . 248 1
3 . 1 1 1 1 GLY HA3 H 1 3.71 . . 2 . . . . . . . . 248 1
4 . 1 1 2 2 ASP H H 1 8.57 . . 1 . . . . . . . . 248 1
5 . 1 1 2 2 ASP HA H 1 5.1 . . 1 . . . . . . . . 248 1
6 . 1 1 2 2 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 248 1
7 . 1 1 2 2 ASP HB3 H 1 2.94 . . 2 . . . . . . . . 248 1
8 . 1 1 3 3 CYS H H 1 8.33 . . 1 . . . . . . . . 248 1
9 . 1 1 3 3 CYS HA H 1 4.67 . . 1 . . . . . . . . 248 1
10 . 1 1 3 3 CYS HB2 H 1 2.61 . . 2 . . . . . . . . 248 1
11 . 1 1 3 3 CYS HB3 H 1 3.64 . . 2 . . . . . . . . 248 1
12 . 1 1 4 4 GLY H H 1 8.58 . . 1 . . . . . . . . 248 1
13 . 1 1 4 4 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 248 1
14 . 1 1 4 4 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 248 1
15 . 1 1 5 5 CYS H H 1 8.27 . . 1 . . . . . . . . 248 1
16 . 1 1 5 5 CYS HA H 1 4.4 . . 1 . . . . . . . . 248 1
17 . 1 1 5 5 CYS HB2 H 1 2.93 . . 2 . . . . . . . . 248 1
18 . 1 1 5 5 CYS HB3 H 1 3.54 . . 2 . . . . . . . . 248 1
19 . 1 1 6 6 SER H H 1 8.67 . . 1 . . . . . . . . 248 1
20 . 1 1 6 6 SER HA H 1 4.57 . . 1 . . . . . . . . 248 1
21 . 1 1 6 6 SER HB2 H 1 2.86 . . 2 . . . . . . . . 248 1
22 . 1 1 6 6 SER HB3 H 1 3.84 . . 2 . . . . . . . . 248 1
23 . 1 1 7 7 GLY H H 1 7.38 . . 1 . . . . . . . . 248 1
24 . 1 1 7 7 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 248 1
25 . 1 1 7 7 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 248 1
26 . 1 1 8 8 ALA H H 1 8.78 . . 1 . . . . . . . . 248 1
27 . 1 1 8 8 ALA HA H 1 4.3 . . 1 . . . . . . . . 248 1
28 . 1 1 8 8 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 248 1
29 . 1 1 8 8 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 248 1
30 . 1 1 8 8 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 248 1
31 . 1 1 9 9 SER H H 1 8.53 . . 1 . . . . . . . . 248 1
32 . 1 1 9 9 SER HA H 1 4.34 . . 1 . . . . . . . . 248 1
33 . 1 1 9 9 SER HB2 H 1 3.91 . . 2 . . . . . . . . 248 1
34 . 1 1 9 9 SER HB3 H 1 4.01 . . 2 . . . . . . . . 248 1
35 . 1 1 10 10 SER H H 1 7.58 . . 1 . . . . . . . . 248 1
36 . 1 1 10 10 SER HA H 1 4.67 . . 1 . . . . . . . . 248 1
37 . 1 1 10 10 SER HB2 H 1 3.65 . . 2 . . . . . . . . 248 1
38 . 1 1 10 10 SER HB3 H 1 4.32 . . 2 . . . . . . . . 248 1
39 . 1 1 11 11 CYS H H 1 7.25 . . 1 . . . . . . . . 248 1
40 . 1 1 11 11 CYS HA H 1 4.58 . . 1 . . . . . . . . 248 1
41 . 1 1 11 11 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 248 1
42 . 1 1 11 11 CYS HB3 H 1 3.21 . . 2 . . . . . . . . 248 1
43 . 1 1 12 12 ASN H H 1 8.43 . . 1 . . . . . . . . 248 1
44 . 1 1 12 12 ASN HA H 1 5.13 . . 1 . . . . . . . . 248 1
45 . 1 1 12 12 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 248 1
46 . 1 1 12 12 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 248 1
47 . 1 1 12 12 ASN HD21 H 1 6.81 . . 2 . . . . . . . . 248 1
48 . 1 1 12 12 ASN HD22 H 1 7.52 . . 2 . . . . . . . . 248 1
49 . 1 1 13 13 CYS H H 1 9.45 . . 1 . . . . . . . . 248 1
50 . 1 1 13 13 CYS HA H 1 3.85 . . 1 . . . . . . . . 248 1
51 . 1 1 13 13 CYS HB2 H 1 3.02 . . 1 . . . . . . . . 248 1
52 . 1 1 13 13 CYS HB3 H 1 3.02 . . 1 . . . . . . . . 248 1
53 . 1 1 14 14 GLY H H 1 8.56 . . 1 . . . . . . . . 248 1
54 . 1 1 14 14 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 248 1
55 . 1 1 14 14 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 248 1
56 . 1 1 15 15 SER H H 1 8.6 . . 1 . . . . . . . . 248 1
57 . 1 1 15 15 SER HA H 1 4.15 . . 1 . . . . . . . . 248 1
58 . 1 1 15 15 SER HB2 H 1 3.86 . . 1 . . . . . . . . 248 1
59 . 1 1 15 15 SER HB3 H 1 3.86 . . 1 . . . . . . . . 248 1
60 . 1 1 16 16 GLY H H 1 8.61 . . 1 . . . . . . . . 248 1
61 . 1 1 16 16 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 248 1
62 . 1 1 16 16 GLY HA3 H 1 4 . . 2 . . . . . . . . 248 1
63 . 1 1 17 17 CYS H H 1 7.28 . . 1 . . . . . . . . 248 1
64 . 1 1 17 17 CYS HA H 1 4.14 . . 1 . . . . . . . . 248 1
65 . 1 1 17 17 CYS HB2 H 1 2.78 . . 2 . . . . . . . . 248 1
66 . 1 1 17 17 CYS HB3 H 1 3.18 . . 2 . . . . . . . . 248 1
67 . 1 1 18 18 SER H H 1 8.91 . . 1 . . . . . . . . 248 1
68 . 1 1 18 18 SER HA H 1 4.82 . . 1 . . . . . . . . 248 1
69 . 1 1 18 18 SER HB2 H 1 3.77 . . 2 . . . . . . . . 248 1
70 . 1 1 18 18 SER HB3 H 1 4.1 . . 2 . . . . . . . . 248 1
71 . 1 1 19 19 CYS H H 1 9.32 . . 1 . . . . . . . . 248 1
72 . 1 1 19 19 CYS HA H 1 4.36 . . 1 . . . . . . . . 248 1
73 . 1 1 19 19 CYS HB2 H 1 2.72 . . 2 . . . . . . . . 248 1
74 . 1 1 19 19 CYS HB3 H 1 3.37 . . 2 . . . . . . . . 248 1
75 . 1 1 20 20 SER H H 1 9.29 . . 1 . . . . . . . . 248 1
76 . 1 1 20 20 SER HA H 1 4.18 . . 1 . . . . . . . . 248 1
77 . 1 1 20 20 SER HB2 H 1 3.52 . . 2 . . . . . . . . 248 1
78 . 1 1 20 20 SER HB3 H 1 3.87 . . 2 . . . . . . . . 248 1
79 . 1 1 21 21 ASN H H 1 8.97 . . 1 . . . . . . . . 248 1
80 . 1 1 21 21 ASN HA H 1 4.57 . . 1 . . . . . . . . 248 1
81 . 1 1 21 21 ASN HB2 H 1 2.54 . . 2 . . . . . . . . 248 1
82 . 1 1 21 21 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 248 1
83 . 1 1 21 21 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 248 1
84 . 1 1 21 21 ASN HD22 H 1 7.57 . . 2 . . . . . . . . 248 1
85 . 1 1 22 22 CYS H H 1 6.93 . . 1 . . . . . . . . 248 1
86 . 1 1 22 22 CYS HA H 1 4.43 . . 1 . . . . . . . . 248 1
87 . 1 1 22 22 CYS HB2 H 1 2.76 . . 2 . . . . . . . . 248 1
88 . 1 1 22 22 CYS HB3 H 1 3.14 . . 2 . . . . . . . . 248 1
89 . 1 1 23 23 GLY H H 1 7.72 . . 1 . . . . . . . . 248 1
90 . 1 1 23 23 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 248 1
91 . 1 1 23 23 GLY HA3 H 1 4 . . 2 . . . . . . . . 248 1
92 . 1 1 24 24 SER H H 1 8.01 . . 1 . . . . . . . . 248 1
93 . 1 1 24 24 SER HA H 1 4.43 . . 1 . . . . . . . . 248 1
94 . 1 1 24 24 SER HB2 H 1 3.52 . . 2 . . . . . . . . 248 1
95 . 1 1 24 24 SER HB3 H 1 3.8 . . 2 . . . . . . . . 248 1
96 . 1 1 25 25 LYS H H 1 7.98 . . 1 . . . . . . . . 248 1
97 . 1 1 25 25 LYS HA H 1 4.15 . . 1 . . . . . . . . 248 1
98 . 1 1 25 25 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 248 1
99 . 1 1 25 25 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 248 1
100 . 1 1 25 25 LYS HD2 H 1 1.37 . . 2 . . . . . . . . 248 1
101 . 1 1 25 25 LYS HD3 H 1 1.66 . . 2 . . . . . . . . 248 1
102 . 1 1 25 25 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 248 1
103 . 1 1 25 25 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 248 1
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save_