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 5502
_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 NOESY' 1 $sample_1 . 5502 1
2 '2D TOCSY' 1 $sample_1 . 5502 1
3 13C-HSQC 1 $sample_1 . 5502 1
4 'Diffusion experiment' 1 $sample_1 . 5502 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 1 1 ILE HA H 1 4.029 0.002 . 1 . . . . . . . . . 5502 1
2 . 1 1 1 1 ILE HB H 1 2.025 0.002 . 1 . . . . . . . . . 5502 1
3 . 1 1 1 1 ILE HG12 H 1 1.488 0.002 . 2 . . . . . . . . . 5502 1
4 . 1 1 1 1 ILE HG13 H 1 1.236 0.002 . 2 . . . . . . . . . 5502 1
5 . 1 1 1 1 ILE HD11 H 1 0.937 0.002 . 1 . . . . . . . . . 5502 1
6 . 1 1 1 1 ILE HD12 H 1 0.937 0.002 . 1 . . . . . . . . . 5502 1
7 . 1 1 1 1 ILE HD13 H 1 0.937 0.002 . 1 . . . . . . . . . 5502 1
8 . 1 1 1 1 ILE HG21 H 1 1.019 0.002 . 1 . . . . . . . . . 5502 1
9 . 1 1 1 1 ILE HG22 H 1 1.019 0.002 . 1 . . . . . . . . . 5502 1
10 . 1 1 1 1 ILE HG23 H 1 1.019 0.002 . 1 . . . . . . . . . 5502 1
11 . 1 1 2 2 CYS H H 1 8.886 0.002 . 1 . . . . . . . . . 5502 1
12 . 1 1 2 2 CYS HA H 1 5.456 0.002 . 1 . . . . . . . . . 5502 1
13 . 1 1 2 2 CYS HB2 H 1 3.174 0.002 . 2 . . . . . . . . . 5502 1
14 . 1 1 2 2 CYS HB3 H 1 2.656 0.002 . 2 . . . . . . . . . 5502 1
15 . 1 1 3 3 ILE H H 1 8.530 0.002 . 1 . . . . . . . . . 5502 1
16 . 1 1 3 3 ILE HA H 1 4.604 0.002 . 1 . . . . . . . . . 5502 1
17 . 1 1 3 3 ILE HB H 1 1.861 0.002 . 1 . . . . . . . . . 5502 1
18 . 1 1 3 3 ILE HG12 H 1 1.337 0.002 . 2 . . . . . . . . . 5502 1
19 . 1 1 3 3 ILE HG13 H 1 1.121 0.002 . 2 . . . . . . . . . 5502 1
20 . 1 1 3 3 ILE HD11 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
21 . 1 1 3 3 ILE HD12 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
22 . 1 1 3 3 ILE HD13 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
23 . 1 1 3 3 ILE HG21 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
24 . 1 1 3 3 ILE HG22 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
25 . 1 1 3 3 ILE HG23 H 1 0.886 0.002 . 1 . . . . . . . . . 5502 1
26 . 1 1 4 4 PHE H H 1 8.790 0.002 . 1 . . . . . . . . . 5502 1
27 . 1 1 4 4 PHE HA H 1 4.754 0.002 . 1 . . . . . . . . . 5502 1
28 . 1 1 4 4 PHE HB2 H 1 2.998 0.002 . 1 . . . . . . . . . 5502 1
29 . 1 1 4 4 PHE HB3 H 1 2.998 0.002 . 1 . . . . . . . . . 5502 1
30 . 1 1 4 4 PHE HD1 H 1 7.103 0.002 . 1 . . . . . . . . . 5502 1
31 . 1 1 4 4 PHE HE1 H 1 7.271 0.002 . 1 . . . . . . . . . 5502 1
32 . 1 1 4 4 PHE HZ H 1 7.213 0.002 . 1 . . . . . . . . . 5502 1
33 . 1 1 4 4 PHE HE2 H 1 7.271 0.002 . 1 . . . . . . . . . 5502 1
34 . 1 1 4 4 PHE HD2 H 1 7.103 0.002 . 1 . . . . . . . . . 5502 1
35 . 1 1 5 5 CYS H H 1 8.482 0.002 . 1 . . . . . . . . . 5502 1
36 . 1 1 5 5 CYS HA H 1 4.824 0.002 . 1 . . . . . . . . . 5502 1
37 . 1 1 5 5 CYS HB2 H 1 3.057 0.002 . 2 . . . . . . . . . 5502 1
38 . 1 1 5 5 CYS HB3 H 1 3.439 0.002 . 2 . . . . . . . . . 5502 1
39 . 1 1 6 6 CYS H H 1 8.895 0.002 . 1 . . . . . . . . . 5502 1
40 . 1 1 6 6 CYS HA H 1 4.918 0.002 . 1 . . . . . . . . . 5502 1
41 . 1 1 6 6 CYS HB2 H 1 3.008 0.002 . 2 . . . . . . . . . 5502 1
42 . 1 1 6 6 CYS HB3 H 1 2.946 0.002 . 2 . . . . . . . . . 5502 1
43 . 1 1 7 7 GLY H H 1 8.199 0.002 . 1 . . . . . . . . . 5502 1
44 . 1 1 7 7 GLY HA2 H 1 4.051 0.002 . 1 . . . . . . . . . 5502 1
45 . 1 1 7 7 GLY HA3 H 1 4.051 0.002 . 1 . . . . . . . . . 5502 1
46 . 1 1 8 8 CYS H H 1 7.652 0.002 . 1 . . . . . . . . . 5502 1
47 . 1 1 8 8 CYS HA H 1 4.928 0.002 . 1 . . . . . . . . . 5502 1
48 . 1 1 8 8 CYS HB2 H 1 3.388 0.002 . 2 . . . . . . . . . 5502 1
49 . 1 1 8 8 CYS HB3 H 1 3.241 0.002 . 2 . . . . . . . . . 5502 1
50 . 1 1 10 10 HIS H H 1 8.664 0.002 . 1 . . . . . . . . . 5502 1
51 . 1 1 10 10 HIS HA H 1 4.181 0.002 . 1 . . . . . . . . . 5502 1
52 . 1 1 10 10 HIS HB2 H 1 3.274 0.002 . 2 . . . . . . . . . 5502 1
53 . 1 1 10 10 HIS HB3 H 1 3.431 0.002 . 2 . . . . . . . . . 5502 1
54 . 1 1 10 10 HIS HD2 H 1 7.213 0.002 . 1 . . . . . . . . . 5502 1
55 . 1 1 10 10 HIS HE1 H 1 8.591 0.002 . 1 . . . . . . . . . 5502 1
56 . 1 1 11 11 ARG HA H 1 4.575 0.002 . 1 . . . . . . . . . 5502 1
57 . 1 1 11 11 ARG HB2 H 1 1.831 0.002 . 2 . . . . . . . . . 5502 1
58 . 1 1 11 11 ARG HB3 H 1 1.917 0.002 . 2 . . . . . . . . . 5502 1
59 . 1 1 11 11 ARG HG2 H 1 1.630 0.002 . 2 . . . . . . . . . 5502 1
60 . 1 1 11 11 ARG HG3 H 1 1.701 0.002 . 2 . . . . . . . . . 5502 1
61 . 1 1 11 11 ARG HD2 H 1 3.164 0.002 . 1 . . . . . . . . . 5502 1
62 . 1 1 11 11 ARG HD3 H 1 3.164 0.002 . 1 . . . . . . . . . 5502 1
63 . 1 1 11 11 ARG HE H 1 7.111 0.002 . 1 . . . . . . . . . 5502 1
64 . 1 1 12 12 SER H H 1 8.593 0.002 . 1 . . . . . . . . . 5502 1
65 . 1 1 12 12 SER HA H 1 4.310 0.002 . 1 . . . . . . . . . 5502 1
66 . 1 1 12 12 SER HB2 H 1 3.912 0.002 . 1 . . . . . . . . . 5502 1
67 . 1 1 12 12 SER HB3 H 1 3.912 0.002 . 1 . . . . . . . . . 5502 1
68 . 1 1 13 13 LYS H H 1 7.709 0.002 . 1 . . . . . . . . . 5502 1
69 . 1 1 13 13 LYS HA H 1 4.459 0.002 . 1 . . . . . . . . . 5502 1
70 . 1 1 13 13 LYS HB2 H 1 1.898 0.002 . 2 . . . . . . . . . 5502 1
71 . 1 1 13 13 LYS HB3 H 1 1.815 0.002 . 2 . . . . . . . . . 5502 1
72 . 1 1 13 13 LYS HG2 H 1 1.815 0.002 . 2 . . . . . . . . . 5502 1
73 . 1 1 13 13 LYS HG3 H 1 1.441 0.002 . 2 . . . . . . . . . 5502 1
74 . 1 1 13 13 LYS HD2 H 1 1.441 0.002 . 2 . . . . . . . . . 5502 1
75 . 1 1 13 13 LYS HD3 H 1 1.665 0.002 . 2 . . . . . . . . . 5502 1
76 . 1 1 13 13 LYS HE2 H 1 1.665 0.002 . 1 . . . . . . . . . 5502 1
77 . 1 1 13 13 LYS HE3 H 1 1.665 0.002 . 1 . . . . . . . . . 5502 1
78 . 1 1 13 13 LYS HZ1 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
79 . 1 1 13 13 LYS HZ2 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
80 . 1 1 13 13 LYS HZ3 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
81 . 1 1 14 14 CYS H H 1 8.693 0.002 . 1 . . . . . . . . . 5502 1
82 . 1 1 14 14 CYS HA H 1 5.164 0.002 . 1 . . . . . . . . . 5502 1
83 . 1 1 14 14 CYS HB2 H 1 3.172 0.002 . 2 . . . . . . . . . 5502 1
84 . 1 1 14 14 CYS HB3 H 1 2.742 0.002 . 2 . . . . . . . . . 5502 1
85 . 1 1 15 15 GLY H H 1 8.166 0.002 . 1 . . . . . . . . . 5502 1
86 . 1 1 15 15 GLY HA2 H 1 4.047 0.002 . 2 . . . . . . . . . 5502 1
87 . 1 1 15 15 GLY HA3 H 1 3.864 0.002 . 2 . . . . . . . . . 5502 1
88 . 1 1 16 16 MET H H 1 8.700 0.002 . 1 . . . . . . . . . 5502 1
89 . 1 1 16 16 MET HA H 1 4.933 0.002 . 1 . . . . . . . . . 5502 1
90 . 1 1 16 16 MET HB2 H 1 2.097 0.002 . 2 . . . . . . . . . 5502 1
91 . 1 1 16 16 MET HB3 H 1 1.840 0.002 . 2 . . . . . . . . . 5502 1
92 . 1 1 16 16 MET HG2 H 1 2.659 0.002 . 1 . . . . . . . . . 5502 1
93 . 1 1 16 16 MET HG3 H 1 2.659 0.002 . 1 . . . . . . . . . 5502 1
94 . 1 1 16 16 MET HE1 H 1 1.990 0.002 . 1 . . . . . . . . . 5502 1
95 . 1 1 16 16 MET HE2 H 1 1.990 0.002 . 1 . . . . . . . . . 5502 1
96 . 1 1 16 16 MET HE3 H 1 1.990 0.002 . 1 . . . . . . . . . 5502 1
97 . 1 1 17 17 CYS H H 1 9.680 0.002 . 1 . . . . . . . . . 5502 1
98 . 1 1 17 17 CYS HA H 1 5.088 0.002 . 1 . . . . . . . . . 5502 1
99 . 1 1 17 17 CYS HB2 H 1 3.122 0.002 . 2 . . . . . . . . . 5502 1
100 . 1 1 17 17 CYS HB3 H 1 2.994 0.002 . 2 . . . . . . . . . 5502 1
101 . 1 1 18 18 CYS H H 1 9.243 0.002 . 1 . . . . . . . . . 5502 1
102 . 1 1 18 18 CYS HA H 1 5.432 0.002 . 1 . . . . . . . . . 5502 1
103 . 1 1 18 18 CYS HB2 H 1 3.041 0.002 . 1 . . . . . . . . . 5502 1
104 . 1 1 18 18 CYS HB3 H 1 3.041 0.002 . 1 . . . . . . . . . 5502 1
105 . 1 1 19 19 LYS H H 1 8.203 0.002 . 1 . . . . . . . . . 5502 1
106 . 1 1 19 19 LYS HA H 1 4.589 0.002 . 1 . . . . . . . . . 5502 1
107 . 1 1 19 19 LYS HB2 H 1 1.897 0.002 . 2 . . . . . . . . . 5502 1
108 . 1 1 19 19 LYS HB3 H 1 1.804 0.002 . 2 . . . . . . . . . 5502 1
109 . 1 1 19 19 LYS HG2 H 1 1.683 0.002 . 2 . . . . . . . . . 5502 1
110 . 1 1 19 19 LYS HG3 H 1 1.441 0.002 . 2 . . . . . . . . . 5502 1
111 . 1 1 19 19 LYS HD2 H 1 1.804 0.002 . 1 . . . . . . . . . 5502 1
112 . 1 1 19 19 LYS HD3 H 1 1.804 0.002 . 1 . . . . . . . . . 5502 1
113 . 1 1 19 19 LYS HE2 H 1 2.960 0.002 . 1 . . . . . . . . . 5502 1
114 . 1 1 19 19 LYS HE3 H 1 2.960 0.002 . 1 . . . . . . . . . 5502 1
115 . 1 1 19 19 LYS HZ1 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
116 . 1 1 19 19 LYS HZ2 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
117 . 1 1 19 19 LYS HZ3 H 1 7.554 0.002 . 1 . . . . . . . . . 5502 1
118 . 1 1 20 20 THR H H 1 8.194 0.002 . 1 . . . . . . . . . 5502 1
119 . 1 1 20 20 THR HA H 1 4.257 0.002 . 1 . . . . . . . . . 5502 1
120 . 1 1 20 20 THR HB H 1 4.257 0.002 . 1 . . . . . . . . . 5502 1
121 . 1 1 20 20 THR HG21 H 1 1.185 0.002 . 1 . . . . . . . . . 5502 1
122 . 1 1 20 20 THR HG22 H 1 1.185 0.002 . 1 . . . . . . . . . 5502 1
123 . 1 1 20 20 THR HG23 H 1 1.185 0.002 . 1 . . . . . . . . . 5502 1
stop_
save_