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 237
_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 . 237 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 11 11 THR HA H 1 4.53 . . 1 . . . . . . . . 237 1
2 . 1 1 11 11 THR HB H 1 4.04 . . 1 . . . . . . . . 237 1
3 . 1 1 11 11 THR HG21 H 1 1.39 . . 1 . . . . . . . . 237 1
4 . 1 1 11 11 THR HG22 H 1 1.39 . . 1 . . . . . . . . 237 1
5 . 1 1 11 11 THR HG23 H 1 1.39 . . 1 . . . . . . . . 237 1
6 . 1 1 16 16 ALA HB1 H 1 1.19 . . 1 . . . . . . . . 237 1
7 . 1 1 16 16 ALA HB2 H 1 1.19 . . 1 . . . . . . . . 237 1
8 . 1 1 16 16 ALA HB3 H 1 1.19 . . 1 . . . . . . . . 237 1
9 . 1 1 18 18 ILE HA H 1 4.19 . . 1 . . . . . . . . 237 1
10 . 1 1 18 18 ILE HB H 1 1.87 . . 1 . . . . . . . . 237 1
11 . 1 1 18 18 ILE HG12 H 1 1.07 . . 1 . . . . . . . . 237 1
12 . 1 1 18 18 ILE HG13 H 1 1.07 . . 1 . . . . . . . . 237 1
13 . 1 1 18 18 ILE HG21 H 1 .97 . . 1 . . . . . . . . 237 1
14 . 1 1 18 18 ILE HG22 H 1 .97 . . 1 . . . . . . . . 237 1
15 . 1 1 18 18 ILE HG23 H 1 .97 . . 1 . . . . . . . . 237 1
16 . 1 1 18 18 ILE HD11 H 1 .68 . . 1 . . . . . . . . 237 1
17 . 1 1 18 18 ILE HD12 H 1 .68 . . 1 . . . . . . . . 237 1
18 . 1 1 18 18 ILE HD13 H 1 .68 . . 1 . . . . . . . . 237 1
19 . 1 1 19 19 ILE HA H 1 4.3 . . 1 . . . . . . . . 237 1
20 . 1 1 19 19 ILE HB H 1 1.96 . . 1 . . . . . . . . 237 1
21 . 1 1 19 19 ILE HG12 H 1 1.46 . . 1 . . . . . . . . 237 1
22 . 1 1 19 19 ILE HG13 H 1 1.46 . . 1 . . . . . . . . 237 1
23 . 1 1 19 19 ILE HG21 H 1 .73 . . 1 . . . . . . . . 237 1
24 . 1 1 19 19 ILE HG22 H 1 .73 . . 1 . . . . . . . . 237 1
25 . 1 1 19 19 ILE HG23 H 1 .73 . . 1 . . . . . . . . 237 1
26 . 1 1 19 19 ILE HD11 H 1 .68 . . 1 . . . . . . . . 237 1
27 . 1 1 19 19 ILE HD12 H 1 .68 . . 1 . . . . . . . . 237 1
28 . 1 1 19 19 ILE HD13 H 1 .68 . . 1 . . . . . . . . 237 1
29 . 1 1 21 21 TYR HA H 1 5.7 . . 1 . . . . . . . . 237 1
30 . 1 1 21 21 TYR HB2 H 1 2.7 . . 1 . . . . . . . . 237 1
31 . 1 1 21 21 TYR HB3 H 1 2.7 . . 1 . . . . . . . . 237 1
32 . 1 1 22 22 PHE HA H 1 5.29 . . 1 . . . . . . . . 237 1
33 . 1 1 22 22 PHE HB2 H 1 2.81 . . 2 . . . . . . . . 237 1
34 . 1 1 22 22 PHE HB3 H 1 2.92 . . 2 . . . . . . . . 237 1
35 . 1 1 23 23 TYR HA H 1 4.31 . . 1 . . . . . . . . 237 1
36 . 1 1 23 23 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 237 1
37 . 1 1 23 23 TYR HB3 H 1 3.45 . . 2 . . . . . . . . 237 1
38 . 1 1 24 24 ASN HA H 1 4.6 . . 1 . . . . . . . . 237 1
39 . 1 1 24 24 ASN HB2 H 1 2.18 . . 2 . . . . . . . . 237 1
40 . 1 1 24 24 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 237 1
41 . 1 1 25 25 ALA HA H 1 3.76 . . 1 . . . . . . . . 237 1
42 . 1 1 25 25 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 237 1
43 . 1 1 25 25 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 237 1
44 . 1 1 25 25 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 237 1
45 . 1 1 27 27 ALA HB1 H 1 1.19 . . 1 . . . . . . . . 237 1
46 . 1 1 27 27 ALA HB2 H 1 1.19 . . 1 . . . . . . . . 237 1
47 . 1 1 27 27 ALA HB3 H 1 1.19 . . 1 . . . . . . . . 237 1
48 . 1 1 28 28 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 237 1
49 . 1 1 28 28 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 237 1
50 . 1 1 30 30 CYS HA H 1 5.63 . . 1 . . . . . . . . 237 1
51 . 1 1 30 30 CYS HB2 H 1 2.67 . . 2 . . . . . . . . 237 1
52 . 1 1 30 30 CYS HB3 H 1 3.69 . . 2 . . . . . . . . 237 1
53 . 1 1 31 31 GLN HA H 1 4.82 . . 1 . . . . . . . . 237 1
54 . 1 1 31 31 GLN HB2 H 1 1.72 . . 2 . . . . . . . . 237 1
55 . 1 1 31 31 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 237 1
56 . 1 1 31 31 GLN HG2 H 1 1.83 . . 2 . . . . . . . . 237 1
57 . 1 1 31 31 GLN HG3 H 1 2.02 . . 2 . . . . . . . . 237 1
58 . 1 1 32 32 THR HA H 1 5.28 . . 1 . . . . . . . . 237 1
59 . 1 1 32 32 THR HB H 1 4.04 . . 1 . . . . . . . . 237 1
60 . 1 1 32 32 THR HG21 H 1 .59 . . 1 . . . . . . . . 237 1
61 . 1 1 32 32 THR HG22 H 1 .59 . . 1 . . . . . . . . 237 1
62 . 1 1 32 32 THR HG23 H 1 .59 . . 1 . . . . . . . . 237 1
63 . 1 1 33 33 PHE HA H 1 4.86 . . 1 . . . . . . . . 237 1
64 . 1 1 33 33 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 237 1
65 . 1 1 33 33 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 237 1
66 . 1 1 34 34 VAL HA H 1 3.92 . . 1 . . . . . . . . 237 1
67 . 1 1 34 34 VAL HB H 1 1.95 . . 1 . . . . . . . . 237 1
68 . 1 1 34 34 VAL HG11 H 1 .81 . . 2 . . . . . . . . 237 1
69 . 1 1 34 34 VAL HG12 H 1 .81 . . 2 . . . . . . . . 237 1
70 . 1 1 34 34 VAL HG13 H 1 .81 . . 2 . . . . . . . . 237 1
71 . 1 1 34 34 VAL HG21 H 1 .71 . . 2 . . . . . . . . 237 1
72 . 1 1 34 34 VAL HG22 H 1 .71 . . 2 . . . . . . . . 237 1
73 . 1 1 34 34 VAL HG23 H 1 .71 . . 2 . . . . . . . . 237 1
74 . 1 1 35 35 TYR HA H 1 4.89 . . 1 . . . . . . . . 237 1
75 . 1 1 35 35 TYR HB2 H 1 2.52 . . 2 . . . . . . . . 237 1
76 . 1 1 35 35 TYR HB3 H 1 2.69 . . 2 . . . . . . . . 237 1
77 . 1 1 36 36 GLY HA2 H 1 3.25 . . 2 . . . . . . . . 237 1
78 . 1 1 36 36 GLY HA3 H 1 4.35 . . 2 . . . . . . . . 237 1
79 . 1 1 40 40 ALA HA H 1 4.09 . . 1 . . . . . . . . 237 1
80 . 1 1 40 40 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 237 1
81 . 1 1 40 40 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 237 1
82 . 1 1 40 40 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 237 1
83 . 1 1 43 43 ASN HA H 1 5.09 . . 1 . . . . . . . . 237 1
84 . 1 1 43 43 ASN HB2 H 1 3.39 . . 2 . . . . . . . . 237 1
85 . 1 1 43 43 ASN HB3 H 1 3.31 . . 2 . . . . . . . . 237 1
86 . 1 1 44 44 ASN HA H 1 4.94 . . 1 . . . . . . . . 237 1
87 . 1 1 44 44 ASN HB2 H 1 2.51 . . 2 . . . . . . . . 237 1
88 . 1 1 44 44 ASN HB3 H 1 2.79 . . 2 . . . . . . . . 237 1
89 . 1 1 45 45 PHE HA H 1 5.12 . . 1 . . . . . . . . 237 1
90 . 1 1 45 45 PHE HB2 H 1 2.79 . . 2 . . . . . . . . 237 1
91 . 1 1 45 45 PHE HB3 H 1 3.42 . . 2 . . . . . . . . 237 1
92 . 1 1 47 47 SER HA H 1 4.51 . . 1 . . . . . . . . 237 1
93 . 1 1 47 47 SER HB2 H 1 3.84 . . 2 . . . . . . . . 237 1
94 . 1 1 47 47 SER HB3 H 1 4.08 . . 2 . . . . . . . . 237 1
95 . 1 1 48 48 ALA HA H 1 3.14 . . 1 . . . . . . . . 237 1
96 . 1 1 48 48 ALA HB1 H 1 1.06 . . 1 . . . . . . . . 237 1
97 . 1 1 48 48 ALA HB2 H 1 1.06 . . 1 . . . . . . . . 237 1
98 . 1 1 48 48 ALA HB3 H 1 1.06 . . 1 . . . . . . . . 237 1
99 . 1 1 52 52 MET HA H 1 4.17 . . 1 . . . . . . . . 237 1
100 . 1 1 52 52 MET HB2 H 1 2 . . 2 . . . . . . . . 237 1
101 . 1 1 52 52 MET HB3 H 1 2.07 . . 2 . . . . . . . . 237 1
102 . 1 1 52 52 MET HG2 H 1 2.7 . . 1 . . . . . . . . 237 1
103 . 1 1 52 52 MET HG3 H 1 2.7 . . 1 . . . . . . . . 237 1
104 . 1 1 54 54 THR HA H 1 4.07 . . 1 . . . . . . . . 237 1
105 . 1 1 54 54 THR HB H 1 3.95 . . 1 . . . . . . . . 237 1
106 . 1 1 54 54 THR HG21 H 1 1.61 . . 1 . . . . . . . . 237 1
107 . 1 1 54 54 THR HG22 H 1 1.61 . . 1 . . . . . . . . 237 1
108 . 1 1 54 54 THR HG23 H 1 1.61 . . 1 . . . . . . . . 237 1
109 . 1 1 56 56 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 237 1
110 . 1 1 56 56 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 237 1
111 . 1 1 57 57 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 237 1
112 . 1 1 57 57 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 237 1
113 . 1 1 58 58 ALA HA H 1 4.01 . . 1 . . . . . . . . 237 1
114 . 1 1 58 58 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 237 1
115 . 1 1 58 58 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 237 1
116 . 1 1 58 58 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 237 1
stop_
save_