Content for NMR-STAR saveframe, "Shift_Wild_type_in_water"
save_Shift_Wild_type_in_water
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Shift_Wild_type_in_water
_Assigned_chem_shift_list.Entry_ID 5486
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $condition_Water_25C
_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 $water_sample . 5486 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 LYS HA H 1 4.041 0.001 . 1 . . . . . . . . 5486 1
2 . 1 1 1 1 LYS HB2 H 1 1.737 0.001 . 2 . . . . . . . . 5486 1
3 . 1 1 1 1 LYS HG2 H 1 1.307 0.001 . 2 . . . . . . . . 5486 1
4 . 1 1 1 1 LYS HD2 H 1 1.510 0.001 . 2 . . . . . . . . 5486 1
5 . 1 1 1 1 LYS HE2 H 1 2.817 0.001 . 2 . . . . . . . . 5486 1
6 . 1 1 1 1 LYS HZ1 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1
7 . 1 1 1 1 LYS HZ2 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1
8 . 1 1 1 1 LYS HZ3 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1
9 . 1 1 2 2 TRP H H 1 8.805 0.001 . 1 . . . . . . . . 5486 1
10 . 1 1 2 2 TRP HA H 1 4.838 0.001 . 1 . . . . . . . . 5486 1
11 . 1 1 2 2 TRP HB2 H 1 3.214 0.001 . 2 . . . . . . . . 5486 1
12 . 1 1 2 2 TRP HD1 H 1 7.145 0.001 . 1 . . . . . . . . 5486 1
13 . 1 1 2 2 TRP HE1 H 1 10.018 0.001 . 2 . . . . . . . . 5486 1
14 . 1 1 2 2 TRP HZ2 H 1 7.572 0.001 . 2 . . . . . . . . 5486 1
15 . 1 1 2 2 TRP HH2 H 1 7.312 0.001 . 1 . . . . . . . . 5486 1
16 . 1 1 2 2 TRP HZ3 H 1 7.785 0.001 . 2 . . . . . . . . 5486 1
17 . 1 1 2 2 TRP HE3 H 1 7.179 0.001 . 2 . . . . . . . . 5486 1
18 . 1 1 3 3 CYS H H 1 8.208 0.001 . 1 . . . . . . . . 5486 1
19 . 1 1 3 3 CYS HA H 1 5.359 0.001 . 1 . . . . . . . . 5486 1
20 . 1 1 3 3 CYS HB3 H 1 2.451 0.001 . 2 . . . . . . . . 5486 1
21 . 1 1 3 3 CYS HB2 H 1 2.846 0.001 . 2 . . . . . . . . 5486 1
22 . 1 1 4 4 PHE H H 1 8.649 0.001 . 1 . . . . . . . . 5486 1
23 . 1 1 4 4 PHE HA H 1 4.643 0.001 . 1 . . . . . . . . 5486 1
24 . 1 1 4 4 PHE HB2 H 1 2.859 0.001 . 2 . . . . . . . . 5486 1
25 . 1 1 4 4 PHE HD1 H 1 7.009 0.001 . 2 . . . . . . . . 5486 1
26 . 1 1 4 4 PHE HE1 H 1 6.966 0.001 . 2 . . . . . . . . 5486 1
27 . 1 1 5 5 ARG H H 1 8.459 0.001 . 1 . . . . . . . . 5486 1
28 . 1 1 5 5 ARG HA H 1 4.825 0.001 . 1 . . . . . . . . 5486 1
29 . 1 1 5 5 ARG HB3 H 1 1.505 0.001 . 2 . . . . . . . . 5486 1
30 . 1 1 5 5 ARG HB2 H 1 1.591 0.001 . 2 . . . . . . . . 5486 1
31 . 1 1 5 5 ARG HG2 H 1 1.612 0.001 . 2 . . . . . . . . 5486 1
32 . 1 1 5 5 ARG HD2 H 1 2.985 0.001 . 2 . . . . . . . . 5486 1
33 . 1 1 5 5 ARG HE H 1 7.067 0.001 . 1 . . . . . . . . 5486 1
34 . 1 1 6 6 VAL H H 1 8.758 0.001 . 1 . . . . . . . . 5486 1
35 . 1 1 6 6 VAL HA H 1 4.246 0.001 . 1 . . . . . . . . 5486 1
36 . 1 1 6 6 VAL HB H 1 1.581 0.001 . 1 . . . . . . . . 5486 1
37 . 1 1 6 6 VAL HG11 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1
38 . 1 1 6 6 VAL HG12 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1
39 . 1 1 6 6 VAL HG13 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1
40 . 1 1 7 7 CYS H H 1 8.542 0.001 . 1 . . . . . . . . 5486 1
41 . 1 1 7 7 CYS HA H 1 5.526 0.001 . 1 . . . . . . . . 5486 1
42 . 1 1 7 7 CYS HB3 H 1 2.535 0.001 . 2 . . . . . . . . 5486 1
43 . 1 1 7 7 CYS HB2 H 1 2.920 0.001 . 2 . . . . . . . . 5486 1
44 . 1 1 8 8 TYR H H 1 9.021 0.001 . 1 . . . . . . . . 5486 1
45 . 1 1 8 8 TYR HA H 1 4.620 0.001 . 1 . . . . . . . . 5486 1
46 . 1 1 8 8 TYR HB2 H 1 2.917 0.001 . 2 . . . . . . . . 5486 1
47 . 1 1 8 8 TYR HD1 H 1 7.126 0.001 . 2 . . . . . . . . 5486 1
48 . 1 1 8 8 TYR HE1 H 1 6.738 0.001 . 2 . . . . . . . . 5486 1
49 . 1 1 9 9 ARG H H 1 9.142 0.001 . 1 . . . . . . . . 5486 1
50 . 1 1 9 9 ARG HA H 1 3.595 0.001 . 1 . . . . . . . . 5486 1
51 . 1 1 9 9 ARG HB3 H 1 1.492 0.001 . 2 . . . . . . . . 5486 1
52 . 1 1 9 9 ARG HB2 H 1 1.802 0.001 . 2 . . . . . . . . 5486 1
53 . 1 1 9 9 ARG HG3 H 1 0.854 0.001 . 2 . . . . . . . . 5486 1
54 . 1 1 9 9 ARG HG2 H 1 1.138 0.001 . 2 . . . . . . . . 5486 1
55 . 1 1 9 9 ARG HD2 H 1 2.944 0.001 . 2 . . . . . . . . 5486 1
56 . 1 1 9 9 ARG HE H 1 6.937 0.001 . 1 . . . . . . . . 5486 1
57 . 1 1 10 10 GLY H H 1 8.449 0.001 . 1 . . . . . . . . 5486 1
58 . 1 1 10 10 GLY HA3 H 1 3.440 0.001 . 2 . . . . . . . . 5486 1
59 . 1 1 10 10 GLY HA2 H 1 4.036 0.001 . 2 . . . . . . . . 5486 1
60 . 1 1 11 11 ILE H H 1 7.684 0.001 . 1 . . . . . . . . 5486 1
61 . 1 1 11 11 ILE HA H 1 4.182 0.001 . 1 . . . . . . . . 5486 1
62 . 1 1 11 11 ILE HG13 H 1 1.388 0.001 . 4 . . . . . . . . 5486 1
63 . 1 1 11 11 ILE HG12 H 1 1.044 0.001 . 4 . . . . . . . . 5486 1
64 . 1 1 11 11 ILE HD11 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1
65 . 1 1 11 11 ILE HD12 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1
66 . 1 1 11 11 ILE HD13 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1
67 . 1 1 11 11 ILE HG21 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1
68 . 1 1 11 11 ILE HG22 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1
69 . 1 1 11 11 ILE HG23 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1
70 . 1 1 12 12 CYS H H 1 8.558 0.001 . 1 . . . . . . . . 5486 1
71 . 1 1 12 12 CYS HA H 1 5.570 0.001 . 1 . . . . . . . . 5486 1
72 . 1 1 12 12 CYS HB3 H 1 2.524 0.001 . 2 . . . . . . . . 5486 1
73 . 1 1 12 12 CYS HB2 H 1 2.824 0.001 . 2 . . . . . . . . 5486 1
74 . 1 1 13 13 TYR H H 1 9.065 0.001 . 1 . . . . . . . . 5486 1
75 . 1 1 13 13 TYR HA H 1 4.819 0.001 . 1 . . . . . . . . 5486 1
76 . 1 1 13 13 TYR HB3 H 1 2.717 0.001 . 2 . . . . . . . . 5486 1
77 . 1 1 13 13 TYR HB2 H 1 2.924 0.001 . 2 . . . . . . . . 5486 1
78 . 1 1 13 13 TYR HD1 H 1 6.924 0.001 . 2 . . . . . . . . 5486 1
79 . 1 1 13 13 TYR HE1 H 1 6.613 0.001 . 2 . . . . . . . . 5486 1
80 . 1 1 14 14 ARG H H 1 8.552 0.001 . 1 . . . . . . . . 5486 1
81 . 1 1 14 14 ARG HA H 1 4.695 0.001 . 1 . . . . . . . . 5486 1
82 . 1 1 14 14 ARG HB3 H 1 1.320 0.001 . 2 . . . . . . . . 5486 1
83 . 1 1 14 14 ARG HB2 H 1 1.564 0.001 . 2 . . . . . . . . 5486 1
84 . 1 1 14 14 ARG HG2 H 1 1.211 0.001 . 2 . . . . . . . . 5486 1
85 . 1 1 14 14 ARG HD2 H 1 2.939 0.001 . 2 . . . . . . . . 5486 1
86 . 1 1 14 14 ARG HE H 1 7.065 0.001 . 1 . . . . . . . . 5486 1
87 . 1 1 15 15 ARG H H 1 8.625 0.001 . 1 . . . . . . . . 5486 1
88 . 1 1 15 15 ARG HA H 1 4.424 0.001 . 1 . . . . . . . . 5486 1
89 . 1 1 15 15 ARG HB3 H 1 1.315 0.001 . 2 . . . . . . . . 5486 1
90 . 1 1 15 15 ARG HB2 H 1 1.413 0.001 . 2 . . . . . . . . 5486 1
91 . 1 1 15 15 ARG HG2 H 1 1.110 0.001 . 2 . . . . . . . . 5486 1
92 . 1 1 15 15 ARG HD2 H 1 3.080 0.001 . 2 . . . . . . . . 5486 1
93 . 1 1 15 15 ARG HE H 1 7.058 0.001 . 1 . . . . . . . . 5486 1
94 . 1 1 16 16 CYS H H 1 8.525 0.001 . 1 . . . . . . . . 5486 1
95 . 1 1 16 16 CYS HA H 1 5.364 0.001 . 1 . . . . . . . . 5486 1
96 . 1 1 16 16 CYS HB3 H 1 2.638 0.001 . 2 . . . . . . . . 5486 1
97 . 1 1 16 16 CYS HB2 H 1 2.860 0.001 . 2 . . . . . . . . 5486 1
98 . 1 1 17 17 ARG H H 1 8.825 0.001 . 1 . . . . . . . . 5486 1
99 . 1 1 17 17 ARG HA H 1 4.443 0.001 . 1 . . . . . . . . 5486 1
100 . 1 1 17 17 ARG HB2 H 1 1.867 0.001 . 2 . . . . . . . . 5486 1
101 . 1 1 17 17 ARG HG2 H 1 1.648 0.001 . 2 . . . . . . . . 5486 1
102 . 1 1 17 17 ARG HD2 H 1 3.102 0.001 . 2 . . . . . . . . 5486 1
103 . 1 1 17 17 ARG HE H 1 7.101 0.001 . 1 . . . . . . . . 5486 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 39 5486 1
1 38 5486 1
1 37 5486 1
2 69 5486 1
2 68 5486 1
2 67 5486 1
2 63 5486 1
2 62 5486 1
stop_
save_