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 81
_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 . 81 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 PHE HA H 1 4.28 . . 1 . . . . . . . . 81 1
2 . 1 1 1 1 PHE HB2 H 1 3.158 . . 2 . . . . . . . . 81 1
3 . 1 1 1 1 PHE HB3 H 1 3.281 . . 2 . . . . . . . . 81 1
4 . 1 1 1 1 PHE HD1 H 1 7.294 . . 1 . . . . . . . . 81 1
5 . 1 1 1 1 PHE HD2 H 1 7.294 . . 1 . . . . . . . . 81 1
6 . 1 1 1 1 PHE HE1 H 1 7.413 . . 1 . . . . . . . . 81 1
7 . 1 1 1 1 PHE HE2 H 1 7.413 . . 1 . . . . . . . . 81 1
8 . 1 1 1 1 PHE HZ H 1 7.413 . . 1 . . . . . . . . 81 1
9 . 1 1 2 2 LYS HA H 1 4.35 . . 1 . . . . . . . . 81 1
10 . 1 1 2 2 LYS HB2 H 1 1.779 . . 2 . . . . . . . . 81 1
11 . 1 1 2 2 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 81 1
12 . 1 1 2 2 LYS HG2 H 1 1.398 . . 2 . . . . . . . . 81 1
13 . 1 1 2 2 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 81 1
14 . 1 1 2 2 LYS HD2 H 1 1.712 . . 1 . . . . . . . . 81 1
15 . 1 1 2 2 LYS HD3 H 1 1.712 . . 1 . . . . . . . . 81 1
16 . 1 1 2 2 LYS HE2 H 1 3.016 . . 1 . . . . . . . . 81 1
17 . 1 1 2 2 LYS HE3 H 1 3.016 . . 1 . . . . . . . . 81 1
18 . 1 1 3 3 ASN HA H 1 4.693 . . 1 . . . . . . . . 81 1
19 . 1 1 3 3 ASN HB2 H 1 2.745 . . 2 . . . . . . . . 81 1
20 . 1 1 3 3 ASN HB3 H 1 2.842 . . 2 . . . . . . . . 81 1
21 . 1 1 4 4 ILE HA H 1 4.211 . . 1 . . . . . . . . 81 1
22 . 1 1 4 4 ILE HB H 1 1.864 . . 1 . . . . . . . . 81 1
23 . 1 1 4 4 ILE HG12 H 1 1.171 . . 2 . . . . . . . . 81 1
24 . 1 1 4 4 ILE HG13 H 1 1.464 . . 2 . . . . . . . . 81 1
25 . 1 1 4 4 ILE HG21 H 1 .888 . . 1 . . . . . . . . 81 1
26 . 1 1 4 4 ILE HG22 H 1 .888 . . 1 . . . . . . . . 81 1
27 . 1 1 4 4 ILE HG23 H 1 .888 . . 1 . . . . . . . . 81 1
28 . 1 1 4 4 ILE HD11 H 1 .855 . . 1 . . . . . . . . 81 1
29 . 1 1 4 4 ILE HD12 H 1 .855 . . 1 . . . . . . . . 81 1
30 . 1 1 4 4 ILE HD13 H 1 .855 . . 1 . . . . . . . . 81 1
31 . 1 1 5 5 VAL HA H 1 4.139 . . 1 . . . . . . . . 81 1
32 . 1 1 5 5 VAL HB H 1 2.121 . . 1 . . . . . . . . 81 1
33 . 1 1 5 5 VAL HG11 H 1 .848 . . 2 . . . . . . . . 81 1
34 . 1 1 5 5 VAL HG12 H 1 .848 . . 2 . . . . . . . . 81 1
35 . 1 1 5 5 VAL HG13 H 1 .848 . . 2 . . . . . . . . 81 1
36 . 1 1 5 5 VAL HG21 H 1 .906 . . 2 . . . . . . . . 81 1
37 . 1 1 5 5 VAL HG22 H 1 .906 . . 2 . . . . . . . . 81 1
38 . 1 1 5 5 VAL HG23 H 1 .906 . . 2 . . . . . . . . 81 1
39 . 1 1 6 6 THR HA H 1 4.581 . . 1 . . . . . . . . 81 1
40 . 1 1 6 6 THR HB H 1 4.111 . . 1 . . . . . . . . 81 1
41 . 1 1 6 6 THR HG21 H 1 1.253 . . 1 . . . . . . . . 81 1
42 . 1 1 6 6 THR HG22 H 1 1.253 . . 1 . . . . . . . . 81 1
43 . 1 1 6 6 THR HG23 H 1 1.253 . . 1 . . . . . . . . 81 1
44 . 1 1 7 7 PRO HA H 1 4.707 . . 1 . . . . . . . . 81 1
45 . 1 1 7 7 PRO HB2 H 1 1.926 . . 2 . . . . . . . . 81 1
46 . 1 1 7 7 PRO HB3 H 1 2.387 . . 2 . . . . . . . . 81 1
47 . 1 1 7 7 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 81 1
48 . 1 1 7 7 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 81 1
49 . 1 1 7 7 PRO HD2 H 1 3.649 . . 2 . . . . . . . . 81 1
50 . 1 1 7 7 PRO HD3 H 1 3.839 . . 2 . . . . . . . . 81 1
51 . 1 1 8 8 ARG HA H 1 4.35 . . 1 . . . . . . . . 81 1
52 . 1 1 8 8 ARG HB2 H 1 1.769 . . 2 . . . . . . . . 81 1
53 . 1 1 8 8 ARG HB3 H 1 1.91 . . 2 . . . . . . . . 81 1
54 . 1 1 8 8 ARG HG2 H 1 1.681 . . 1 . . . . . . . . 81 1
55 . 1 1 8 8 ARG HG3 H 1 1.681 . . 1 . . . . . . . . 81 1
56 . 1 1 8 8 ARG HD2 H 1 3.208 . . 1 . . . . . . . . 81 1
57 . 1 1 8 8 ARG HD3 H 1 3.208 . . 1 . . . . . . . . 81 1
58 . 1 1 10 10 PRO HA H 1 4.455 . . 1 . . . . . . . . 81 1
59 . 1 1 10 10 PRO HB2 H 1 1.978 . . 2 . . . . . . . . 81 1
60 . 1 1 10 10 PRO HB3 H 1 2.339 . . 2 . . . . . . . . 81 1
61 . 1 1 10 10 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 81 1
62 . 1 1 10 10 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 81 1
63 . 1 1 10 10 PRO HD2 H 1 3.912 . . 2 . . . . . . . . 81 1
64 . 1 1 10 10 PRO HD3 H 1 3.737 . . 2 . . . . . . . . 81 1
65 . 1 1 11 11 PRO HA H 1 4.386 . . 1 . . . . . . . . 81 1
66 . 1 1 11 11 PRO HB2 H 1 2.003 . . 2 . . . . . . . . 81 1
67 . 1 1 11 11 PRO HB3 H 1 2.158 . . 2 . . . . . . . . 81 1
68 . 1 1 11 11 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 81 1
69 . 1 1 11 11 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 81 1
70 . 1 1 11 11 PRO HD2 H 1 3.649 . . 2 . . . . . . . . 81 1
71 . 1 1 11 11 PRO HD3 H 1 3.737 . . 2 . . . . . . . . 81 1
72 . 1 1 12 12 PRO HA H 1 4.404 . . 1 . . . . . . . . 81 1
73 . 1 1 12 12 PRO HB2 H 1 1.978 . . 2 . . . . . . . . 81 1
74 . 1 1 12 12 PRO HB3 H 1 2.312 . . 2 . . . . . . . . 81 1
75 . 1 1 12 12 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 81 1
76 . 1 1 12 12 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 81 1
77 . 1 1 12 12 PRO HD2 H 1 3.839 . . 2 . . . . . . . . 81 1
78 . 1 1 12 12 PRO HD3 H 1 3.912 . . 2 . . . . . . . . 81 1
79 . 1 1 13 13 SER HA H 1 4.43 . . 1 . . . . . . . . 81 1
80 . 1 1 13 13 SER HB2 H 1 3.896 . . 2 . . . . . . . . 81 1
81 . 1 1 13 13 SER HB3 H 1 3.891 . . 2 . . . . . . . . 81 1
82 . 1 1 14 14 GLN HA H 1 4.412 . . 1 . . . . . . . . 81 1
83 . 1 1 14 14 GLN HB2 H 1 2.092 . . 1 . . . . . . . . 81 1
84 . 1 1 14 14 GLN HB3 H 1 2.092 . . 1 . . . . . . . . 81 1
85 . 1 1 14 14 GLN HG2 H 1 2.395 . . 1 . . . . . . . . 81 1
86 . 1 1 14 14 GLN HG3 H 1 2.395 . . 1 . . . . . . . . 81 1
87 . 1 1 15 15 GLY HA2 H 1 3.987 . . 1 . . . . . . . . 81 1
88 . 1 1 15 15 GLY HA3 H 1 3.987 . . 1 . . . . . . . . 81 1
89 . 1 1 16 16 LYS HA H 1 4.35 . . 1 . . . . . . . . 81 1
90 . 1 1 16 16 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 81 1
91 . 1 1 16 16 LYS HB3 H 1 1.779 . . 2 . . . . . . . . 81 1
92 . 1 1 16 16 LYS HG2 H 1 1.398 . . 2 . . . . . . . . 81 1
93 . 1 1 16 16 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 81 1
94 . 1 1 16 16 LYS HD2 H 1 1.712 . . 1 . . . . . . . . 81 1
95 . 1 1 16 16 LYS HD3 H 1 1.712 . . 1 . . . . . . . . 81 1
96 . 1 1 16 16 LYS HE2 H 1 2.995 . . 1 . . . . . . . . 81 1
97 . 1 1 17 17 GLY HA2 H 1 3.987 . . 1 . . . . . . . . 81 1
98 . 1 1 17 17 GLY HA3 H 1 3.987 . . 1 . . . . . . . . 81 1
99 . 1 1 19 19 GLY HA2 H 1 4.019 . . 1 . . . . . . . . 81 1
100 . 1 1 19 19 GLY HA3 H 1 4.019 . . 1 . . . . . . . . 81 1
101 . 1 1 20 20 THR HA H 1 4.342 . . 1 . . . . . . . . 81 1
102 . 1 1 20 20 THR HB H 1 4.166 . . 1 . . . . . . . . 81 1
103 . 1 1 20 20 THR HG21 H 1 1.184 . . 1 . . . . . . . . 81 1
104 . 1 1 20 20 THR HG22 H 1 1.184 . . 1 . . . . . . . . 81 1
105 . 1 1 20 20 THR HG23 H 1 1.184 . . 1 . . . . . . . . 81 1
106 . 1 1 21 21 VAL HA H 1 4.166 . . 1 . . . . . . . . 81 1
107 . 1 1 21 21 VAL HB H 1 2.052 . . 1 . . . . . . . . 81 1
108 . 1 1 21 21 VAL HG11 H 1 .948 . . 2 . . . . . . . . 81 1
109 . 1 1 21 21 VAL HG12 H 1 .948 . . 2 . . . . . . . . 81 1
110 . 1 1 21 21 VAL HG13 H 1 .948 . . 2 . . . . . . . . 81 1
111 . 1 1 21 21 VAL HG21 H 1 .954 . . 2 . . . . . . . . 81 1
112 . 1 1 21 21 VAL HG22 H 1 .954 . . 2 . . . . . . . . 81 1
113 . 1 1 21 21 VAL HG23 H 1 .954 . . 2 . . . . . . . . 81 1
114 . 1 1 22 22 LEU HA H 1 4.33 . . 1 . . . . . . . . 81 1
115 . 1 1 22 22 LEU HB2 H 1 1.684 . . 1 . . . . . . . . 81 1
116 . 1 1 22 22 LEU HB3 H 1 1.684 . . 1 . . . . . . . . 81 1
117 . 1 1 22 22 LEU HG H 1 1.638 . . 1 . . . . . . . . 81 1
118 . 1 1 22 22 LEU HD11 H 1 .878 . . 2 . . . . . . . . 81 1
119 . 1 1 22 22 LEU HD12 H 1 .878 . . 2 . . . . . . . . 81 1
120 . 1 1 22 22 LEU HD13 H 1 .878 . . 2 . . . . . . . . 81 1
121 . 1 1 22 22 LEU HD21 H 1 .934 . . 2 . . . . . . . . 81 1
122 . 1 1 22 22 LEU HD22 H 1 .934 . . 2 . . . . . . . . 81 1
123 . 1 1 22 22 LEU HD23 H 1 .934 . . 2 . . . . . . . . 81 1
stop_
save_