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 171
_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 . 171 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 5 5 VAL HB H 1 1.44 . . 1 . . . . . . . . 171 1
2 . 1 1 5 5 VAL HG11 H 1 .759 . . 1 . . . . . . . . 171 1
3 . 1 1 5 5 VAL HG12 H 1 .759 . . 1 . . . . . . . . 171 1
4 . 1 1 5 5 VAL HG13 H 1 .759 . . 1 . . . . . . . . 171 1
5 . 1 1 5 5 VAL HG21 H 1 .759 . . 1 . . . . . . . . 171 1
6 . 1 1 5 5 VAL HG22 H 1 .759 . . 1 . . . . . . . . 171 1
7 . 1 1 5 5 VAL HG23 H 1 .759 . . 1 . . . . . . . . 171 1
8 . 1 1 7 7 ILE HG12 H 1 1.45 . . 2 . . . . . . . . 171 1
9 . 1 1 7 7 ILE HG13 H 1 1.11 . . 2 . . . . . . . . 171 1
10 . 1 1 7 7 ILE HG21 H 1 .5 . . 1 . . . . . . . . 171 1
11 . 1 1 7 7 ILE HG22 H 1 .5 . . 1 . . . . . . . . 171 1
12 . 1 1 7 7 ILE HG23 H 1 .5 . . 1 . . . . . . . . 171 1
13 . 1 1 7 7 ILE HD11 H 1 .11 . . 1 . . . . . . . . 171 1
14 . 1 1 7 7 ILE HD12 H 1 .11 . . 1 . . . . . . . . 171 1
15 . 1 1 7 7 ILE HD13 H 1 .11 . . 1 . . . . . . . . 171 1
16 . 1 1 15 15 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 171 1
17 . 1 1 15 15 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 171 1
18 . 1 1 15 15 PHE HE1 H 1 7.14 . . 1 . . . . . . . . 171 1
19 . 1 1 15 15 PHE HE2 H 1 7.14 . . 1 . . . . . . . . 171 1
20 . 1 1 15 15 PHE HZ H 1 8.09 . . 1 . . . . . . . . 171 1
21 . 1 1 22 22 VAL HA H 1 3.62 . . 1 . . . . . . . . 171 1
22 . 1 1 22 22 VAL HB H 1 1.57 . . 1 . . . . . . . . 171 1
23 . 1 1 22 22 VAL HG11 H 1 .38 . . 2 . . . . . . . . 171 1
24 . 1 1 22 22 VAL HG12 H 1 .38 . . 2 . . . . . . . . 171 1
25 . 1 1 22 22 VAL HG13 H 1 .38 . . 2 . . . . . . . . 171 1
26 . 1 1 22 22 VAL HG21 H 1 .32 . . 2 . . . . . . . . 171 1
27 . 1 1 22 22 VAL HG22 H 1 .32 . . 2 . . . . . . . . 171 1
28 . 1 1 22 22 VAL HG23 H 1 .32 . . 2 . . . . . . . . 171 1
29 . 1 1 29 29 PHE HD1 H 1 6.76 . . 1 . . . . . . . . 171 1
30 . 1 1 29 29 PHE HD2 H 1 6.76 . . 1 . . . . . . . . 171 1
31 . 1 1 29 29 PHE HE1 H 1 7.09 . . 1 . . . . . . . . 171 1
32 . 1 1 29 29 PHE HE2 H 1 7.09 . . 1 . . . . . . . . 171 1
33 . 1 1 29 29 PHE HZ H 1 6.88 . . 1 . . . . . . . . 171 1
34 . 1 1 31 31 VAL HA H 1 3.86 . . 1 . . . . . . . . 171 1
35 . 1 1 31 31 VAL HB H 1 .94 . . 1 . . . . . . . . 171 1
36 . 1 1 31 31 VAL HG11 H 1 .69 . . 2 . . . . . . . . 171 1
37 . 1 1 31 31 VAL HG12 H 1 .69 . . 2 . . . . . . . . 171 1
38 . 1 1 31 31 VAL HG13 H 1 .69 . . 2 . . . . . . . . 171 1
39 . 1 1 31 31 VAL HG21 H 1 .19 . . 2 . . . . . . . . 171 1
40 . 1 1 31 31 VAL HG22 H 1 .19 . . 2 . . . . . . . . 171 1
41 . 1 1 31 31 VAL HG23 H 1 .19 . . 2 . . . . . . . . 171 1
42 . 1 1 35 35 HIS HD2 H 1 7.32 . . 1 . . . . . . . . 171 1
43 . 1 1 46 46 HIS HE1 H 1 6.8 . . 1 . . . . . . . . 171 1
44 . 1 1 48 48 TRP HD1 H 1 6.05 . . 1 . . . . . . . . 171 1
45 . 1 1 48 48 TRP HE3 H 1 7.4 . . 1 . . . . . . . . 171 1
46 . 1 1 48 48 TRP HZ2 H 1 6.51 . . 1 . . . . . . . . 171 1
47 . 1 1 48 48 TRP HZ3 H 1 6.4 . . 1 . . . . . . . . 171 1
48 . 1 1 48 48 TRP HH2 H 1 6.7 . . 1 . . . . . . . . 171 1
49 . 1 1 56 56 MET HE1 H 1 1.67 . . 1 . . . . . . . . 171 1
50 . 1 1 56 56 MET HE2 H 1 1.67 . . 1 . . . . . . . . 171 1
51 . 1 1 56 56 MET HE3 H 1 1.67 . . 1 . . . . . . . . 171 1
52 . 1 1 64 64 MET HE1 H 1 2.09 . . 1 . . . . . . . . 171 1
53 . 1 1 64 64 MET HE2 H 1 2.09 . . 1 . . . . . . . . 171 1
54 . 1 1 64 64 MET HE3 H 1 2.09 . . 1 . . . . . . . . 171 1
55 . 1 1 72 72 TYR HD1 H 1 6.53 . . 1 . . . . . . . . 171 1
56 . 1 1 72 72 TYR HD2 H 1 6.53 . . 1 . . . . . . . . 171 1
57 . 1 1 72 72 TYR HE1 H 1 6.97 . . 1 . . . . . . . . 171 1
58 . 1 1 72 72 TYR HE2 H 1 6.97 . . 1 . . . . . . . . 171 1
59 . 1 1 83 83 HIS HD2 H 1 7.19 . . 1 . . . . . . . . 171 1
60 . 1 1 83 83 HIS HE1 H 1 8.62 . . 1 . . . . . . . . 171 1
61 . 1 1 97 97 PHE HD1 H 1 6.75 . . 1 . . . . . . . . 171 1
62 . 1 1 97 97 PHE HD2 H 1 6.75 . . 1 . . . . . . . . 171 1
63 . 1 1 97 97 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 171 1
64 . 1 1 97 97 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 171 1
65 . 1 1 97 97 PHE HZ H 1 6.99 . . 1 . . . . . . . . 171 1
66 . 1 1 102 102 LEU HG H 1 1.45 . . 1 . . . . . . . . 171 1
67 . 1 1 102 102 LEU HD11 H 1 -.05 . . 1 . . . . . . . . 171 1
68 . 1 1 102 102 LEU HD12 H 1 -.05 . . 1 . . . . . . . . 171 1
69 . 1 1 102 102 LEU HD13 H 1 -.05 . . 1 . . . . . . . . 171 1
70 . 1 1 102 102 LEU HD21 H 1 -.05 . . 1 . . . . . . . . 171 1
71 . 1 1 102 102 LEU HD22 H 1 -.05 . . 1 . . . . . . . . 171 1
72 . 1 1 102 102 LEU HD23 H 1 -.05 . . 1 . . . . . . . . 171 1
73 . 1 1 108 108 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 171 1
74 . 1 1 108 108 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 171 1
75 . 1 1 108 108 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 171 1
76 . 1 1 108 108 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 171 1
77 . 1 1 109 109 MET HE1 H 1 1.96 . . 1 . . . . . . . . 171 1
78 . 1 1 109 109 MET HE2 H 1 1.96 . . 1 . . . . . . . . 171 1
79 . 1 1 109 109 MET HE3 H 1 1.96 . . 1 . . . . . . . . 171 1
80 . 1 1 110 110 PHE HD1 H 1 6.56 . . 1 . . . . . . . . 171 1
81 . 1 1 110 110 PHE HD2 H 1 6.56 . . 1 . . . . . . . . 171 1
82 . 1 1 110 110 PHE HE1 H 1 7 . . 3 . . . . . . . . 171 1
83 . 1 1 110 110 PHE HE2 H 1 7.04 . . 3 . . . . . . . . 171 1
84 . 1 1 111 111 PHE HD1 H 1 6.56 . . 1 . . . . . . . . 171 1
85 . 1 1 111 111 PHE HD2 H 1 6.56 . . 1 . . . . . . . . 171 1
86 . 1 1 111 111 PHE HE1 H 1 7 . . 3 . . . . . . . . 171 1
87 . 1 1 111 111 PHE HE2 H 1 7.04 . . 3 . . . . . . . . 171 1
88 . 1 1 112 112 CYS HB2 H 1 3.4 . . 1 . . . . . . . . 171 1
89 . 1 1 112 112 CYS HB3 H 1 3.4 . . 1 . . . . . . . . 171 1
90 . 1 1 114 114 PHE HD1 H 1 6.55 . . 1 . . . . . . . . 171 1
91 . 1 1 114 114 PHE HD2 H 1 6.55 . . 1 . . . . . . . . 171 1
92 . 1 1 114 114 PHE HE1 H 1 7.37 . . 1 . . . . . . . . 171 1
93 . 1 1 114 114 PHE HE2 H 1 7.37 . . 1 . . . . . . . . 171 1
94 . 1 1 114 114 PHE HZ H 1 7.06 . . 1 . . . . . . . . 171 1
95 . 1 1 125 125 LEU HG H 1 1.44 . . 1 . . . . . . . . 171 1
96 . 1 1 125 125 LEU HD11 H 1 .74 . . 1 . . . . . . . . 171 1
97 . 1 1 125 125 LEU HD12 H 1 .74 . . 1 . . . . . . . . 171 1
98 . 1 1 125 125 LEU HD13 H 1 .74 . . 1 . . . . . . . . 171 1
99 . 1 1 125 125 LEU HD21 H 1 .74 . . 1 . . . . . . . . 171 1
100 . 1 1 125 125 LEU HD22 H 1 .74 . . 1 . . . . . . . . 171 1
101 . 1 1 125 125 LEU HD23 H 1 .74 . . 1 . . . . . . . . 171 1
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