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 200
_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 . 200 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 TYR HA H 1 4.22 . . 1 . . . . . . . . 200 1
2 . 1 1 1 1 TYR HB2 H 1 3.14 . . 1 . . . . . . . . 200 1
3 . 1 1 1 1 TYR HB3 H 1 3.14 . . 1 . . . . . . . . 200 1
4 . 1 1 1 1 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 200 1
5 . 1 1 1 1 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 200 1
6 . 1 1 1 1 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 200 1
7 . 1 1 1 1 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 200 1
8 . 1 1 2 2 GLY H H 1 8.66 . . 1 . . . . . . . . 200 1
9 . 1 1 2 2 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 200 1
10 . 1 1 2 2 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 200 1
11 . 1 1 3 3 GLY H H 1 8.04 . . 1 . . . . . . . . 200 1
12 . 1 1 3 3 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 200 1
13 . 1 1 3 3 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 200 1
14 . 1 1 4 4 PHE H H 1 8.18 . . 1 . . . . . . . . 200 1
15 . 1 1 4 4 PHE HA H 1 4.6 . . 1 . . . . . . . . 200 1
16 . 1 1 4 4 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 200 1
17 . 1 1 4 4 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 200 1
18 . 1 1 4 4 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 200 1
19 . 1 1 4 4 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 200 1
20 . 1 1 4 4 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 200 1
21 . 1 1 4 4 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 200 1
22 . 1 1 4 4 PHE HZ H 1 7.32 . . 1 . . . . . . . . 200 1
23 . 1 1 5 5 LEU H H 1 8.27 . . 1 . . . . . . . . 200 1
24 . 1 1 5 5 LEU HA H 1 4.29 . . 1 . . . . . . . . 200 1
25 . 1 1 5 5 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 200 1
26 . 1 1 5 5 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 200 1
27 . 1 1 5 5 LEU HG H 1 1.51 . . 1 . . . . . . . . 200 1
28 . 1 1 5 5 LEU HD11 H 1 .84 . . 2 . . . . . . . . 200 1
29 . 1 1 5 5 LEU HD12 H 1 .84 . . 2 . . . . . . . . 200 1
30 . 1 1 5 5 LEU HD13 H 1 .84 . . 2 . . . . . . . . 200 1
31 . 1 1 5 5 LEU HD21 H 1 .91 . . 2 . . . . . . . . 200 1
32 . 1 1 5 5 LEU HD22 H 1 .91 . . 2 . . . . . . . . 200 1
33 . 1 1 5 5 LEU HD23 H 1 .91 . . 2 . . . . . . . . 200 1
34 . 1 1 6 6 LYS H H 1 8.37 . . 1 . . . . . . . . 200 1
35 . 1 1 6 6 LYS HA H 1 4.36 . . 1 . . . . . . . . 200 1
36 . 1 1 6 6 LYS HB2 H 1 1.8 . . 1 . . . . . . . . 200 1
37 . 1 1 6 6 LYS HB3 H 1 1.8 . . 1 . . . . . . . . 200 1
38 . 1 1 6 6 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 200 1
39 . 1 1 6 6 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 200 1
40 . 1 1 6 6 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
41 . 1 1 6 6 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
42 . 1 1 6 6 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
43 . 1 1 6 6 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
44 . 1 1 7 7 LYS H H 1 8.27 . . 1 . . . . . . . . 200 1
45 . 1 1 7 7 LYS HA H 1 4.24 . . 1 . . . . . . . . 200 1
46 . 1 1 7 7 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 200 1
47 . 1 1 7 7 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 200 1
48 . 1 1 7 7 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 200 1
49 . 1 1 7 7 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 200 1
50 . 1 1 7 7 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
51 . 1 1 7 7 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
52 . 1 1 7 7 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
53 . 1 1 7 7 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
54 . 1 1 8 8 VAL H H 1 8.21 . . 1 . . . . . . . . 200 1
55 . 1 1 8 8 VAL HA H 1 4.08 . . 1 . . . . . . . . 200 1
56 . 1 1 8 8 VAL HB H 1 2.01 . . 1 . . . . . . . . 200 1
57 . 1 1 8 8 VAL HG11 H 1 .89 . . 2 . . . . . . . . 200 1
58 . 1 1 8 8 VAL HG12 H 1 .89 . . 2 . . . . . . . . 200 1
59 . 1 1 8 8 VAL HG13 H 1 .89 . . 2 . . . . . . . . 200 1
60 . 1 1 8 8 VAL HG21 H 1 .9 . . 2 . . . . . . . . 200 1
61 . 1 1 8 8 VAL HG22 H 1 .9 . . 2 . . . . . . . . 200 1
62 . 1 1 8 8 VAL HG23 H 1 .9 . . 2 . . . . . . . . 200 1
63 . 1 1 9 9 LYS H H 1 8.56 . . 1 . . . . . . . . 200 1
64 . 1 1 9 9 LYS HA H 1 4.59 . . 1 . . . . . . . . 200 1
65 . 1 1 9 9 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 200 1
66 . 1 1 9 9 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 200 1
67 . 1 1 9 9 LYS HG2 H 1 1.62 . . 1 . . . . . . . . 200 1
68 . 1 1 9 9 LYS HG3 H 1 1.62 . . 1 . . . . . . . . 200 1
69 . 1 1 9 9 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
70 . 1 1 9 9 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
71 . 1 1 9 9 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
72 . 1 1 9 9 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
73 . 1 1 10 10 PRO HA H 1 4.41 . . 1 . . . . . . . . 200 1
74 . 1 1 10 10 PRO HB2 H 1 1.87 . . 2 . . . . . . . . 200 1
75 . 1 1 10 10 PRO HB3 H 1 2.3 . . 2 . . . . . . . . 200 1
76 . 1 1 10 10 PRO HG2 H 1 2.05 . . 1 . . . . . . . . 200 1
77 . 1 1 10 10 PRO HG3 H 1 2.05 . . 1 . . . . . . . . 200 1
78 . 1 1 10 10 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 200 1
79 . 1 1 10 10 PRO HD3 H 1 3.86 . . 2 . . . . . . . . 200 1
80 . 1 1 11 11 LYS H H 1 8.51 . . 1 . . . . . . . . 200 1
81 . 1 1 11 11 LYS HA H 1 4.34 . . 1 . . . . . . . . 200 1
82 . 1 1 11 11 LYS HB2 H 1 1.37 . . 2 . . . . . . . . 200 1
83 . 1 1 11 11 LYS HB3 H 1 1.38 . . 2 . . . . . . . . 200 1
84 . 1 1 11 11 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 200 1
85 . 1 1 11 11 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 200 1
86 . 1 1 11 11 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
87 . 1 1 11 11 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
88 . 1 1 11 11 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
89 . 1 1 11 11 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
90 . 1 1 12 12 VAL H H 1 8.24 . . 1 . . . . . . . . 200 1
91 . 1 1 12 12 VAL HA H 1 4.09 . . 1 . . . . . . . . 200 1
92 . 1 1 12 12 VAL HB H 1 2.01 . . 1 . . . . . . . . 200 1
93 . 1 1 12 12 VAL HG11 H 1 .93 . . 2 . . . . . . . . 200 1
94 . 1 1 12 12 VAL HG12 H 1 .93 . . 2 . . . . . . . . 200 1
95 . 1 1 12 12 VAL HG13 H 1 .93 . . 2 . . . . . . . . 200 1
96 . 1 1 12 12 VAL HG21 H 1 .94 . . 2 . . . . . . . . 200 1
97 . 1 1 12 12 VAL HG22 H 1 .94 . . 2 . . . . . . . . 200 1
98 . 1 1 12 12 VAL HG23 H 1 .94 . . 2 . . . . . . . . 200 1
99 . 1 1 13 13 LYS H H 1 8.54 . . 1 . . . . . . . . 200 1
100 . 1 1 13 13 LYS HA H 1 4.25 . . 1 . . . . . . . . 200 1
101 . 1 1 13 13 LYS HB2 H 1 1.52 . . 2 . . . . . . . . 200 1
102 . 1 1 13 13 LYS HB3 H 1 1.54 . . 2 . . . . . . . . 200 1
103 . 1 1 13 13 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 200 1
104 . 1 1 13 13 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 200 1
105 . 1 1 13 13 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
106 . 1 1 13 13 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
107 . 1 1 13 13 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
108 . 1 1 13 13 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
109 . 1 1 14 14 VAL H H 1 8.31 . . 1 . . . . . . . . 200 1
110 . 1 1 14 14 VAL HA H 1 4.1 . . 1 . . . . . . . . 200 1
111 . 1 1 14 14 VAL HB H 1 2.01 . . 1 . . . . . . . . 200 1
112 . 1 1 14 14 VAL HG11 H 1 .93 . . 2 . . . . . . . . 200 1
113 . 1 1 14 14 VAL HG12 H 1 .93 . . 2 . . . . . . . . 200 1
114 . 1 1 14 14 VAL HG13 H 1 .93 . . 2 . . . . . . . . 200 1
115 . 1 1 14 14 VAL HG21 H 1 .94 . . 2 . . . . . . . . 200 1
116 . 1 1 14 14 VAL HG22 H 1 .94 . . 2 . . . . . . . . 200 1
117 . 1 1 14 14 VAL HG23 H 1 .94 . . 2 . . . . . . . . 200 1
118 . 1 1 15 15 LYS H H 1 8.56 . . 1 . . . . . . . . 200 1
119 . 1 1 15 15 LYS HA H 1 4.32 . . 1 . . . . . . . . 200 1
120 . 1 1 15 15 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 200 1
121 . 1 1 15 15 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 200 1
122 . 1 1 15 15 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 200 1
123 . 1 1 15 15 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 200 1
124 . 1 1 15 15 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 200 1
125 . 1 1 15 15 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 200 1
126 . 1 1 15 15 LYS HE2 H 1 3 . . 1 . . . . . . . . 200 1
127 . 1 1 15 15 LYS HE3 H 1 3 . . 1 . . . . . . . . 200 1
128 . 1 1 16 16 SER H H 1 8.51 . . 1 . . . . . . . . 200 1
129 . 1 1 16 16 SER HA H 1 4.49 . . 1 . . . . . . . . 200 1
130 . 1 1 16 16 SER HB2 H 1 3.92 . . 2 . . . . . . . . 200 1
131 . 1 1 16 16 SER HB3 H 1 3.97 . . 2 . . . . . . . . 200 1
132 . 1 1 17 17 SER H H 1 8.39 . . 1 . . . . . . . . 200 1
133 . 1 1 17 17 SER HA H 1 4.51 . . 1 . . . . . . . . 200 1
134 . 1 1 17 17 SER HB2 H 1 3.92 . . 2 . . . . . . . . 200 1
135 . 1 1 17 17 SER HB3 H 1 3.97 . . 2 . . . . . . . . 200 1
stop_
save_