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 1654
_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 . 1654 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 CYS H H 1 8.29 . . 1 . . . . . . . . 1654 1
2 . 1 1 1 1 CYS HA H 1 4.18 . . 1 . . . . . . . . 1654 1
3 . 1 1 1 1 CYS HB2 H 1 3.04 . . 2 . . . . . . . . 1654 1
4 . 1 1 1 1 CYS HB3 H 1 3.14 . . 2 . . . . . . . . 1654 1
5 . 1 1 2 2 SER H H 1 8.77 . . 1 . . . . . . . . 1654 1
6 . 1 1 2 2 SER HA H 1 4.51 . . 1 . . . . . . . . 1654 1
7 . 1 1 2 2 SER HB2 H 1 3.61 . . 1 . . . . . . . . 1654 1
8 . 1 1 2 2 SER HB3 H 1 3.61 . . 1 . . . . . . . . 1654 1
9 . 1 1 3 3 CYS H H 1 8.07 . . 1 . . . . . . . . 1654 1
10 . 1 1 3 3 CYS HA H 1 4.76 . . 1 . . . . . . . . 1654 1
11 . 1 1 3 3 CYS HB2 H 1 3.17 . . 1 . . . . . . . . 1654 1
12 . 1 1 3 3 CYS HB3 H 1 3.17 . . 1 . . . . . . . . 1654 1
13 . 1 1 4 4 SER H H 1 8.37 . . 1 . . . . . . . . 1654 1
14 . 1 1 4 4 SER HA H 1 4.36 . . 1 . . . . . . . . 1654 1
15 . 1 1 4 4 SER HB2 H 1 3.6 . . 2 . . . . . . . . 1654 1
16 . 1 1 4 4 SER HB3 H 1 3.69 . . 2 . . . . . . . . 1654 1
17 . 1 1 5 5 SER H H 1 7.93 . . 1 . . . . . . . . 1654 1
18 . 1 1 5 5 SER HA H 1 4.36 . . 1 . . . . . . . . 1654 1
19 . 1 1 5 5 SER HB2 H 1 3.52 . . 2 . . . . . . . . 1654 1
20 . 1 1 5 5 SER HB3 H 1 3.74 . . 2 . . . . . . . . 1654 1
21 . 1 1 6 6 LEU H H 1 8.02 . . 1 . . . . . . . . 1654 1
22 . 1 1 6 6 LEU HA H 1 4.17 . . 1 . . . . . . . . 1654 1
23 . 1 1 6 6 LEU HB2 H 1 1.47 . . 1 . . . . . . . . 1654 1
24 . 1 1 6 6 LEU HB3 H 1 1.47 . . 1 . . . . . . . . 1654 1
25 . 1 1 6 6 LEU HG H 1 1.63 . . 1 . . . . . . . . 1654 1
26 . 1 1 7 7 NLE H H 1 7.59 . . 1 . . . . . . . . 1654 1
27 . 1 1 7 7 NLE HA H 1 4.15 . . 1 . . . . . . . . 1654 1
28 . 1 1 7 7 NLE HB2 H 1 1.56 . . 1 . . . . . . . . 1654 1
29 . 1 1 7 7 NLE HB3 H 1 1.56 . . 1 . . . . . . . . 1654 1
30 . 1 1 7 7 NLE HG2 H 1 1.25 . . 1 . . . . . . . . 1654 1
31 . 1 1 7 7 NLE HG3 H 1 1.25 . . 1 . . . . . . . . 1654 1
32 . 1 1 7 7 NLE HD2 H 1 1.25 . . 1 . . . . . . . . 1654 1
33 . 1 1 7 7 NLE HD3 H 1 1.25 . . 1 . . . . . . . . 1654 1
34 . 1 1 7 7 NLE HE1 H 1 .84 . . 1 . . . . . . . . 1654 1
35 . 1 1 7 7 NLE HE2 H 1 .84 . . 1 . . . . . . . . 1654 1
36 . 1 1 7 7 NLE HE3 H 1 .84 . . 1 . . . . . . . . 1654 1
37 . 1 1 8 8 ASP H H 1 7.76 . . 1 . . . . . . . . 1654 1
38 . 1 1 8 8 ASP HA H 1 4.61 . . 1 . . . . . . . . 1654 1
39 . 1 1 8 8 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 1654 1
40 . 1 1 8 8 ASP HB3 H 1 3.03 . . 2 . . . . . . . . 1654 1
41 . 1 1 9 9 LYS H H 1 8.39 . . 1 . . . . . . . . 1654 1
42 . 1 1 9 9 LYS HA H 1 3.89 . . 1 . . . . . . . . 1654 1
43 . 1 1 9 9 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 1654 1
44 . 1 1 9 9 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 1654 1
45 . 1 1 9 9 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 1654 1
46 . 1 1 9 9 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 1654 1
47 . 1 1 9 9 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 1654 1
48 . 1 1 9 9 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 1654 1
49 . 1 1 9 9 LYS HE2 H 1 2.78 . . 1 . . . . . . . . 1654 1
50 . 1 1 9 9 LYS HE3 H 1 2.78 . . 1 . . . . . . . . 1654 1
51 . 1 1 9 9 LYS HZ1 H 1 7.67 . . 1 . . . . . . . . 1654 1
52 . 1 1 9 9 LYS HZ2 H 1 7.67 . . 1 . . . . . . . . 1654 1
53 . 1 1 9 9 LYS HZ3 H 1 7.67 . . 1 . . . . . . . . 1654 1
54 . 1 1 10 10 GLU H H 1 7.84 . . 1 . . . . . . . . 1654 1
55 . 1 1 10 10 GLU HA H 1 4.18 . . 1 . . . . . . . . 1654 1
56 . 1 1 10 10 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 1654 1
57 . 1 1 10 10 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 1654 1
58 . 1 1 10 10 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 1654 1
59 . 1 1 10 10 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 1654 1
60 . 1 1 11 11 CYS H H 1 7.93 . . 1 . . . . . . . . 1654 1
61 . 1 1 11 11 CYS HA H 1 4.36 . . 1 . . . . . . . . 1654 1
62 . 1 1 11 11 CYS HB2 H 1 3.06 . . 2 . . . . . . . . 1654 1
63 . 1 1 11 11 CYS HB3 H 1 2.96 . . 2 . . . . . . . . 1654 1
64 . 1 1 12 12 VAL H H 1 7.76 . . 1 . . . . . . . . 1654 1
65 . 1 1 12 12 VAL HA H 1 3.78 . . 1 . . . . . . . . 1654 1
66 . 1 1 12 12 VAL HB H 1 1.95 . . 1 . . . . . . . . 1654 1
67 . 1 1 12 12 VAL HG11 H 1 .74 . . 2 . . . . . . . . 1654 1
68 . 1 1 12 12 VAL HG12 H 1 .74 . . 2 . . . . . . . . 1654 1
69 . 1 1 12 12 VAL HG13 H 1 .74 . . 2 . . . . . . . . 1654 1
70 . 1 1 12 12 VAL HG21 H 1 .82 . . 2 . . . . . . . . 1654 1
71 . 1 1 12 12 VAL HG22 H 1 .82 . . 2 . . . . . . . . 1654 1
72 . 1 1 12 12 VAL HG23 H 1 .82 . . 2 . . . . . . . . 1654 1
73 . 1 1 13 13 TYR H H 1 7.61 . . 1 . . . . . . . . 1654 1
74 . 1 1 13 13 TYR HA H 1 4.22 . . 1 . . . . . . . . 1654 1
75 . 1 1 13 13 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 1654 1
76 . 1 1 13 13 TYR HB3 H 1 2.8 . . 2 . . . . . . . . 1654 1
77 . 1 1 13 13 TYR HD1 H 1 6.83 . . 1 . . . . . . . . 1654 1
78 . 1 1 13 13 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 1654 1
79 . 1 1 13 13 TYR HE1 H 1 6.55 . . 1 . . . . . . . . 1654 1
80 . 1 1 13 13 TYR HE2 H 1 6.55 . . 1 . . . . . . . . 1654 1
81 . 1 1 14 14 PHE H H 1 7.85 . . 1 . . . . . . . . 1654 1
82 . 1 1 14 14 PHE HA H 1 4.34 . . 1 . . . . . . . . 1654 1
83 . 1 1 14 14 PHE HB2 H 1 2.92 . . 2 . . . . . . . . 1654 1
84 . 1 1 14 14 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 1654 1
85 . 1 1 15 15 CYS H H 1 8.12 . . 1 . . . . . . . . 1654 1
86 . 1 1 15 15 CYS HA H 1 4.53 . . 1 . . . . . . . . 1654 1
87 . 1 1 15 15 CYS HB2 H 1 3.13 . . 2 . . . . . . . . 1654 1
88 . 1 1 15 15 CYS HB3 H 1 2.95 . . 2 . . . . . . . . 1654 1
89 . 1 1 16 16 HIS H H 1 7.71 . . 1 . . . . . . . . 1654 1
90 . 1 1 16 16 HIS HA H 1 4.55 . . 1 . . . . . . . . 1654 1
91 . 1 1 16 16 HIS HB2 H 1 3.22 . . 1 . . . . . . . . 1654 1
92 . 1 1 16 16 HIS HB3 H 1 3.22 . . 1 . . . . . . . . 1654 1
93 . 1 1 16 16 HIS HD2 H 1 7.32 . . 1 . . . . . . . . 1654 1
94 . 1 1 16 16 HIS HE1 H 1 8.87 . . 1 . . . . . . . . 1654 1
95 . 1 1 17 17 LEU H H 1 7.82 . . 1 . . . . . . . . 1654 1
96 . 1 1 17 17 LEU HA H 1 4.25 . . 1 . . . . . . . . 1654 1
97 . 1 1 17 17 LEU HB2 H 1 1.47 . . 1 . . . . . . . . 1654 1
98 . 1 1 17 17 LEU HB3 H 1 1.47 . . 1 . . . . . . . . 1654 1
99 . 1 1 17 17 LEU HG H 1 1.63 . . 1 . . . . . . . . 1654 1
100 . 1 1 18 18 ASP H H 1 8.33 . . 1 . . . . . . . . 1654 1
101 . 1 1 18 18 ASP HA H 1 4.55 . . 1 . . . . . . . . 1654 1
102 . 1 1 18 18 ASP HB2 H 1 2.5 . . 2 . . . . . . . . 1654 1
103 . 1 1 18 18 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 1654 1
104 . 1 1 19 19 ILE H H 1 7.44 . . 1 . . . . . . . . 1654 1
105 . 1 1 19 19 ILE HA H 1 4.21 . . 1 . . . . . . . . 1654 1
106 . 1 1 19 19 ILE HB H 1 1.69 . . 1 . . . . . . . . 1654 1
107 . 1 1 19 19 ILE HG12 H 1 1 . . 2 . . . . . . . . 1654 1
108 . 1 1 19 19 ILE HG13 H 1 1.39 . . 2 . . . . . . . . 1654 1
109 . 1 1 19 19 ILE HG21 H 1 .75 . . 1 . . . . . . . . 1654 1
110 . 1 1 19 19 ILE HG22 H 1 .75 . . 1 . . . . . . . . 1654 1
111 . 1 1 19 19 ILE HG23 H 1 .75 . . 1 . . . . . . . . 1654 1
112 . 1 1 19 19 ILE HD11 H 1 .75 . . 1 . . . . . . . . 1654 1
113 . 1 1 19 19 ILE HD12 H 1 .75 . . 1 . . . . . . . . 1654 1
114 . 1 1 19 19 ILE HD13 H 1 .75 . . 1 . . . . . . . . 1654 1
115 . 1 1 20 20 ILE H H 1 7.73 . . 1 . . . . . . . . 1654 1
116 . 1 1 20 20 ILE HA H 1 4.2 . . 1 . . . . . . . . 1654 1
117 . 1 1 20 20 ILE HB H 1 1.73 . . 1 . . . . . . . . 1654 1
118 . 1 1 20 20 ILE HG12 H 1 1.03 . . 2 . . . . . . . . 1654 1
119 . 1 1 20 20 ILE HG13 H 1 1.39 . . 2 . . . . . . . . 1654 1
120 . 1 1 20 20 ILE HG21 H 1 .78 . . 1 . . . . . . . . 1654 1
121 . 1 1 20 20 ILE HG22 H 1 .78 . . 1 . . . . . . . . 1654 1
122 . 1 1 20 20 ILE HG23 H 1 .78 . . 1 . . . . . . . . 1654 1
123 . 1 1 20 20 ILE HD11 H 1 .75 . . 1 . . . . . . . . 1654 1
124 . 1 1 20 20 ILE HD12 H 1 .75 . . 1 . . . . . . . . 1654 1
125 . 1 1 20 20 ILE HD13 H 1 .75 . . 1 . . . . . . . . 1654 1
126 . 1 1 21 21 TRP H H 1 8 . . 1 . . . . . . . . 1654 1
127 . 1 1 21 21 TRP HA H 1 4.51 . . 1 . . . . . . . . 1654 1
128 . 1 1 21 21 TRP HB2 H 1 3.13 . . 2 . . . . . . . . 1654 1
129 . 1 1 21 21 TRP HB3 H 1 3.05 . . 2 . . . . . . . . 1654 1
130 . 1 1 21 21 TRP HE1 H 1 10.78 . . 1 . . . . . . . . 1654 1
stop_
save_