Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6952
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '2D TOCSY' 1 $sample_1 . 6952 1
2 '2D NOESY' 1 $sample_1 . 6952 1
3 DQF-COSY 1 $sample_1 . 6952 1
4 E-COSY 1 $sample_1 . 6952 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.Ambiguity_set_ID
_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 2 2 ALA H H 1 9.105 0.01 . . . . . . . . . . . 6952 1
2 . 1 1 2 2 ALA HB1 H 1 1.315 0.003 . . . . . . . . . . . 6952 1
3 . 1 1 2 2 ALA HB2 H 1 1.315 0.003 . . . . . . . . . . . 6952 1
4 . 1 1 2 2 ALA HB3 H 1 1.315 0.003 . . . . . . . . . . . 6952 1
5 . 1 1 3 3 ILE HA H 1 3.969 0.003 . . . . . . . . . . . 6952 1
6 . 1 1 3 3 ILE HB H 1 1.698 0.002 . . . . . . . . . . . 6952 1
7 . 1 1 3 3 ILE H H 1 8.114 0.002 . . . . . . . . . . . 6952 1
8 . 1 1 3 3 ILE HD11 H 1 0.778 0.01 . . . . . . . . . . . 6952 1
9 . 1 1 3 3 ILE HD12 H 1 0.778 0.01 . . . . . . . . . . . 6952 1
10 . 1 1 3 3 ILE HD13 H 1 0.778 0.01 . . . . . . . . . . . 6952 1
11 . 1 1 3 3 ILE HG12 H 1 1.402 0.002 . . . . . . . . . . . 6952 1
12 . 1 1 3 3 ILE HG21 H 1 1.098 0.01 . . . . . . . . . . . 6952 1
13 . 1 1 3 3 ILE HG22 H 1 1.098 0.01 . . . . . . . . . . . 6952 1
14 . 1 1 3 3 ILE HG23 H 1 1.098 0.01 . . . . . . . . . . . 6952 1
15 . 1 1 4 4 SER HA H 1 4.235 0.001 . . . . . . . . . . . 6952 1
16 . 1 1 4 4 SER HB2 H 1 3.833 0.001 . . . . . . . . . . . 6952 1
17 . 1 1 4 4 SER HB3 H 1 3.704 0.004 . . . . . . . . . . . 6952 1
18 . 1 1 4 4 SER H H 1 8.115 0.001 . . . . . . . . . . . 6952 1
19 . 1 1 5 5 CYS HA H 1 4.426 0.001 . . . . . . . . . . . 6952 1
20 . 1 1 5 5 CYS HB2 H 1 3.017 0.006 . . . . . . . . . . . 6952 1
21 . 1 1 5 5 CYS HB3 H 1 2.563 0.005 . . . . . . . . . . . 6952 1
22 . 1 1 5 5 CYS H H 1 8.181 0.001 . . . . . . . . . . . 6952 1
23 . 1 1 6 6 GLY HA2 H 1 3.770 0.003 . . . . . . . . . . . 6952 1
24 . 1 1 6 6 GLY HA3 H 1 3.681 0.010 . . . . . . . . . . . 6952 1
25 . 1 1 6 6 GLY H H 1 7.750 0.002 . . . . . . . . . . . 6952 1
26 . 1 1 7 7 GLU HA H 1 4.471 0.002 . . . . . . . . . . . 6952 1
27 . 1 1 7 7 GLU HB2 H 1 2.479 0.004 . . . . . . . . . . . 6952 1
28 . 1 1 7 7 GLU HB3 H 1 2.250 0.003 . . . . . . . . . . . 6952 1
29 . 1 1 7 7 GLU HG2 H 1 1.826 0.008 . . . . . . . . . . . 6952 1
30 . 1 1 7 7 GLU HG3 H 1 1.726 0.003 . . . . . . . . . . . 6952 1
31 . 1 1 7 7 GLU H H 1 8.732 0.002 . . . . . . . . . . . 6952 1
32 . 1 1 8 8 THR HA H 1 4.425 0.002 . . . . . . . . . . . 6952 1
33 . 1 1 8 8 THR HB H 1 3.903 0.001 . . . . . . . . . . . 6952 1
34 . 1 1 8 8 THR H H 1 8.331 0.001 . . . . . . . . . . . 6952 1
35 . 1 1 8 8 THR HG21 H 1 1.087 0.003 . . . . . . . . . . . 6952 1
36 . 1 1 8 8 THR HG22 H 1 1.087 0.003 . . . . . . . . . . . 6952 1
37 . 1 1 8 8 THR HG23 H 1 1.087 0.003 . . . . . . . . . . . 6952 1
38 . 1 1 9 9 CYS HA H 1 4.996 0.001 . . . . . . . . . . . 6952 1
39 . 1 1 9 9 CYS HB2 H 1 3.137 0.001 . . . . . . . . . . . 6952 1
40 . 1 1 9 9 CYS HB3 H 1 2.500 0.004 . . . . . . . . . . . 6952 1
41 . 1 1 9 9 CYS H H 1 8.138 0.004 . . . . . . . . . . . 6952 1
42 . 1 1 10 10 PHE HA H 1 4.276 0.002 . . . . . . . . . . . 6952 1
43 . 1 1 10 10 PHE HB2 H 1 3.179 0.002 . . . . . . . . . . . 6952 1
44 . 1 1 10 10 PHE HB3 H 1 2.809 0.003 . . . . . . . . . . . 6952 1
45 . 1 1 10 10 PHE H H 1 8.448 0.001 . . . . . . . . . . . 6952 1
46 . 1 1 10 10 PHE HD1 H 1 7.226 0.003 . . . . . . . . . . . 6952 1
47 . 1 1 12 12 PHE HA H 1 4.101 0.468 . . . . . . . . . . . 6952 1
48 . 1 1 12 12 PHE H H 1 7.709 0.002 . . . . . . . . . . . 6952 1
49 . 1 1 12 12 PHE HB2 H 1 3.563 0.468 . . . . . . . . . . . 6952 1
50 . 1 1 12 12 PHE HD1 H 1 7.070 0.01 . . . . . . . . . . . 6952 1
51 . 1 1 13 13 LYS HA H 1 4.543 0.002 . . . . . . . . . . . 6952 1
52 . 1 1 13 13 LYS HB2 H 1 1.501 0.001 . . . . . . . . . . . 6952 1
53 . 1 1 13 13 LYS HB3 H 1 1.423 0.002 . . . . . . . . . . . 6952 1
54 . 1 1 13 13 LYS H H 1 7.354 0.002 . . . . . . . . . . . 6952 1
55 . 1 1 13 13 LYS HD2 H 1 1.126 0.007 . . . . . . . . . . . 6952 1
56 . 1 1 13 13 LYS HG2 H 1 1.085 0.002 . . . . . . . . . . . 6952 1
57 . 1 1 14 14 CYS HA H 1 4.513 0.001 . . . . . . . . . . . 6952 1
58 . 1 1 14 14 CYS HB2 H 1 2.957 0.003 . . . . . . . . . . . 6952 1
59 . 1 1 14 14 CYS HB3 H 1 2.544 0.007 . . . . . . . . . . . 6952 1
60 . 1 1 14 14 CYS H H 1 8.372 0.003 . . . . . . . . . . . 6952 1
61 . 1 1 15 15 TYR HA H 1 4.291 0.01 . . . . . . . . . . . 6952 1
62 . 1 1 15 15 TYR HB2 H 1 3.058 0.001 . . . . . . . . . . . 6952 1
63 . 1 1 15 15 TYR HB3 H 1 2.772 0.01 . . . . . . . . . . . 6952 1
64 . 1 1 15 15 TYR H H 1 10.630 0.002 . . . . . . . . . . . 6952 1
65 . 1 1 15 15 TYR HD1 H 1 7.088 0.001 . . . . . . . . . . . 6952 1
66 . 1 1 16 16 THR HA H 1 4.354 0.003 . . . . . . . . . . . 6952 1
67 . 1 1 16 16 THR HB H 1 4.115 0.002 . . . . . . . . . . . 6952 1
68 . 1 1 16 16 THR H H 1 9.027 0.001 . . . . . . . . . . . 6952 1
69 . 1 1 16 16 THR HG21 H 1 1.283 0.002 . . . . . . . . . . . 6952 1
70 . 1 1 16 16 THR HG22 H 1 1.283 0.002 . . . . . . . . . . . 6952 1
71 . 1 1 16 16 THR HG23 H 1 1.283 0.002 . . . . . . . . . . . 6952 1
72 . 1 1 17 17 PRO HA H 1 4.119 0.043 . . . . . . . . . . . 6952 1
73 . 1 1 17 17 PRO HB2 H 1 2.237 0.002 . . . . . . . . . . . 6952 1
74 . 1 1 17 17 PRO HB3 H 1 1.766 0.005 . . . . . . . . . . . 6952 1
75 . 1 1 17 17 PRO HD2 H 1 4.001 0.004 . . . . . . . . . . . 6952 1
76 . 1 1 17 17 PRO HD3 H 1 3.642 0.004 . . . . . . . . . . . 6952 1
77 . 1 1 17 17 PRO HG2 H 1 2.014 0.002 . . . . . . . . . . . 6952 1
78 . 1 1 17 17 PRO HG3 H 1 1.909 0.002 . . . . . . . . . . . 6952 1
79 . 1 1 18 18 ARG HA H 1 3.765 0.002 . . . . . . . . . . . 6952 1
80 . 1 1 18 18 ARG HB2 H 1 2.042 0.003 . . . . . . . . . . . 6952 1
81 . 1 1 18 18 ARG HB3 H 1 1.894 0.005 . . . . . . . . . . . 6952 1
82 . 1 1 18 18 ARG HE H 1 7.096 0.001 . . . . . . . . . . . 6952 1
83 . 1 1 18 18 ARG H H 1 8.261 0.002 . . . . . . . . . . . 6952 1
84 . 1 1 18 18 ARG HD2 H 1 3.095 0.003 . . . . . . . . . . . 6952 1
85 . 1 1 18 18 ARG HG2 H 1 1.451 0.002 . . . . . . . . . . . 6952 1
86 . 1 1 19 19 CYS HA H 1 4.844 0.001 . . . . . . . . . . . 6952 1
87 . 1 1 19 19 CYS HB2 H 1 3.176 0.003 . . . . . . . . . . . 6952 1
88 . 1 1 19 19 CYS HB3 H 1 2.550 0.001 . . . . . . . . . . . 6952 1
89 . 1 1 19 19 CYS H H 1 7.458 0.002 . . . . . . . . . . . 6952 1
90 . 1 1 20 20 SER HA H 1 4.552 0.002 . . . . . . . . . . . 6952 1
91 . 1 1 20 20 SER HB2 H 1 3.639 0.001 . . . . . . . . . . . 6952 1
92 . 1 1 20 20 SER HB3 H 1 3.605 0.001 . . . . . . . . . . . 6952 1
93 . 1 1 20 20 SER H H 1 9.511 0.001 . . . . . . . . . . . 6952 1
94 . 1 1 21 21 CYS HA H 1 4.343 0.001 . . . . . . . . . . . 6952 1
95 . 1 1 21 21 CYS HB2 H 1 2.997 0.001 . . . . . . . . . . . 6952 1
96 . 1 1 21 21 CYS HB3 H 1 2.695 0.003 . . . . . . . . . . . 6952 1
97 . 1 1 21 21 CYS H H 1 8.959 0.001 . . . . . . . . . . . 6952 1
98 . 1 1 22 22 SER HA H 1 4.638 0.002 . . . . . . . . . . . 6952 1
99 . 1 1 22 22 SER HB2 H 1 3.823 0.001 . . . . . . . . . . . 6952 1
100 . 1 1 22 22 SER HB3 H 1 3.584 0.003 . . . . . . . . . . . 6952 1
101 . 1 1 22 22 SER H H 1 8.935 0.002 . . . . . . . . . . . 6952 1
102 . 1 1 23 23 TYR HA H 1 3.874 0.002 . . . . . . . . . . . 6952 1
103 . 1 1 23 23 TYR HB2 H 1 2.921 0.002 . . . . . . . . . . . 6952 1
104 . 1 1 23 23 TYR HB3 H 1 2.776 0.004 . . . . . . . . . . . 6952 1
105 . 1 1 23 23 TYR H H 1 8.165 0.002 . . . . . . . . . . . 6952 1
106 . 1 1 23 23 TYR HD1 H 1 6.675 0.002 . . . . . . . . . . . 6952 1
107 . 1 1 24 24 PRO HA H 1 3.339 0.003 . . . . . . . . . . . 6952 1
108 . 1 1 24 24 PRO HB2 H 1 1.564 0.002 . . . . . . . . . . . 6952 1
109 . 1 1 24 24 PRO HB3 H 1 0.162 0.001 . . . . . . . . . . . 6952 1
110 . 1 1 24 24 PRO HG2 H 1 1.204 0.001 . . . . . . . . . . . 6952 1
111 . 1 1 24 24 PRO HG3 H 1 1.173 0.008 . . . . . . . . . . . 6952 1
112 . 1 1 24 24 PRO HD2 H 1 3.177 0.004 . . . . . . . . . . . 6952 1
113 . 1 1 25 25 VAL HA H 1 4.127 0.001 . . . . . . . . . . . 6952 1
114 . 1 1 25 25 VAL HB H 1 1.818 0.002 . . . . . . . . . . . 6952 1
115 . 1 1 25 25 VAL H H 1 8.204 0.006 . . . . . . . . . . . 6952 1
116 . 1 1 25 25 VAL HG11 H 1 0.737 0.005 . . . . . . . . . . . 6952 1
117 . 1 1 25 25 VAL HG12 H 1 0.737 0.005 . . . . . . . . . . . 6952 1
118 . 1 1 25 25 VAL HG13 H 1 0.737 0.005 . . . . . . . . . . . 6952 1
119 . 1 1 25 25 VAL HG21 H 1 0.700 0.006 . . . . . . . . . . . 6952 1
120 . 1 1 25 25 VAL HG22 H 1 0.700 0.006 . . . . . . . . . . . 6952 1
121 . 1 1 25 25 VAL HG23 H 1 0.700 0.006 . . . . . . . . . . . 6952 1
122 . 1 1 26 26 CYS HA H 1 4.828 0.002 . . . . . . . . . . . 6952 1
123 . 1 1 26 26 CYS HB2 H 1 3.245 0.002 . . . . . . . . . . . 6952 1
124 . 1 1 26 26 CYS HB3 H 1 2.530 0.005 . . . . . . . . . . . 6952 1
125 . 1 1 26 26 CYS H H 1 8.165 0.002 . . . . . . . . . . . 6952 1
126 . 1 1 27 27 LYS HA H 1 4.204 0.001 . . . . . . . . . . . 6952 1
127 . 1 1 27 27 LYS HB2 H 1 1.659 0.002 . . . . . . . . . . . 6952 1
128 . 1 1 27 27 LYS HB3 H 1 1.620 0.01 . . . . . . . . . . . 6952 1
129 . 1 1 27 27 LYS H H 1 9.182 0.003 . . . . . . . . . . . 6952 1
130 . 1 1 27 27 LYS HD2 H 1 1.268 0.009 . . . . . . . . . . . 6952 1
131 . 1 1 27 27 LYS HE2 H 1 2.839 0.01 . . . . . . . . . . . 6952 1
132 . 1 1 27 27 LYS HG2 H 1 1.231 0.004 . . . . . . . . . . . 6952 1
stop_
save_