Content for NMR-STAR saveframe, "Shift_tyrosine_mutant_in_water"
save_Shift_tyrosine_mutant_in_water
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Shift_tyrosine_mutant_in_water
_Assigned_chem_shift_list.Entry_ID 5487
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_Water_4C
_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 . 5487 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 3.964 0.001 . 1 . . . . . . . . 5487 1
2 . 1 1 1 1 LYS HB3 H 1 1.927 0.001 . 2 . . . . . . . . 5487 1
3 . 1 1 1 1 LYS HB2 H 1 1.899 0.001 . 2 . . . . . . . . 5487 1
4 . 1 1 2 2 TRP H H 1 8.776 0.001 . 1 . . . . . . . . 5487 1
5 . 1 1 2 2 TRP HA H 1 4.690 0.001 . 1 . . . . . . . . 5487 1
6 . 1 1 2 2 TRP HB3 H 1 2.967 0.001 . 2 . . . . . . . . 5487 1
7 . 1 1 2 2 TRP HB2 H 1 3.141 0.001 . 2 . . . . . . . . 5487 1
8 . 1 1 2 2 TRP HD1 H 1 7.139 0.001 . 1 . . . . . . . . 5487 1
9 . 1 1 2 2 TRP HE1 H 1 10.123 0.001 . 2 . . . . . . . . 5487 1
10 . 1 1 2 2 TRP HZ2 H 1 7.473 0.001 . 2 . . . . . . . . 5487 1
11 . 1 1 2 2 TRP HH2 H 1 7.210 0.001 . 1 . . . . . . . . 5487 1
12 . 1 1 2 2 TRP HZ3 H 1 6.938 0.001 . 2 . . . . . . . . 5487 1
13 . 1 1 2 2 TRP HE3 H 1 7.553 0.001 . 2 . . . . . . . . 5487 1
14 . 1 1 3 3 TYR H H 1 7.969 0.001 . 1 . . . . . . . . 5487 1
15 . 1 1 3 3 TYR HA H 1 4.619 0.001 . 1 . . . . . . . . 5487 1
16 . 1 1 3 3 TYR HB3 H 1 2.589 0.001 . 2 . . . . . . . . 5487 1
17 . 1 1 3 3 TYR HB2 H 1 2.705 0.001 . 2 . . . . . . . . 5487 1
18 . 1 1 3 3 TYR HD1 H 1 6.558 0.001 . 2 . . . . . . . . 5487 1
19 . 1 1 3 3 TYR HE1 H 1 6.711 0.001 . 2 . . . . . . . . 5487 1
20 . 1 1 4 4 PHE H H 1 8.456 0.001 . 1 . . . . . . . . 5487 1
21 . 1 1 4 4 PHE HA H 1 4.479 0.001 . 1 . . . . . . . . 5487 1
22 . 1 1 4 4 PHE HB2 H 1 2.989 0.001 . 2 . . . . . . . . 5487 1
23 . 1 1 4 4 PHE HD1 H 1 7.190 0.001 . 2 . . . . . . . . 5487 1
24 . 1 1 4 4 PHE HE1 H 1 7.278 0.001 . 2 . . . . . . . . 5487 1
25 . 1 1 5 5 ARG H H 1 8.321 0.001 . 1 . . . . . . . . 5487 1
26 . 1 1 5 5 ARG HA H 1 4.588 0.001 . 1 . . . . . . . . 5487 1
27 . 1 1 5 5 ARG HB3 H 1 1.487 0.001 . 2 . . . . . . . . 5487 1
28 . 1 1 5 5 ARG HB2 H 1 1.658 0.001 . 2 . . . . . . . . 5487 1
29 . 1 1 5 5 ARG HG3 H 1 1.408 0.001 . 2 . . . . . . . . 5487 1
30 . 1 1 5 5 ARG HG2 H 1 1.387 0.001 . 2 . . . . . . . . 5487 1
31 . 1 1 5 5 ARG HD2 H 1 2.874 0.001 . 2 . . . . . . . . 5487 1
32 . 1 1 6 6 VAL H H 1 8.585 0.001 . 1 . . . . . . . . 5487 1
33 . 1 1 6 6 VAL HA H 1 4.227 0.001 . 1 . . . . . . . . 5487 1
34 . 1 1 6 6 VAL HB H 1 1.919 0.001 . 1 . . . . . . . . 5487 1
35 . 1 1 6 6 VAL HG21 H 1 0.894 0.001 . 4 . . . . . . . . 5487 1
36 . 1 1 6 6 VAL HG22 H 1 0.894 0.001 . 4 . . . . . . . . 5487 1
37 . 1 1 6 6 VAL HG23 H 1 0.894 0.001 . 4 . . . . . . . . 5487 1
38 . 1 1 7 7 TYR H H 1 8.672 0.001 . 1 . . . . . . . . 5487 1
39 . 1 1 7 7 TYR HA H 1 4.710 0.001 . 1 . . . . . . . . 5487 1
40 . 1 1 7 7 TYR HB3 H 1 2.757 0.001 . 2 . . . . . . . . 5487 1
41 . 1 1 7 7 TYR HB2 H 1 2.948 0.001 . 2 . . . . . . . . 5487 1
42 . 1 1 7 7 TYR HD1 H 1 6.620 0.001 . 2 . . . . . . . . 5487 1
43 . 1 1 7 7 TYR HE1 H 1 6.609 0.001 . 2 . . . . . . . . 5487 1
44 . 1 1 8 8 TYR H H 1 8.748 0.001 . 1 . . . . . . . . 5487 1
45 . 1 1 8 8 TYR HA H 1 4.541 0.001 . 1 . . . . . . . . 5487 1
46 . 1 1 8 8 TYR HB2 H 1 2.878 0.001 . 2 . . . . . . . . 5487 1
47 . 1 1 8 8 TYR HD1 H 1 7.079 0.001 . 2 . . . . . . . . 5487 1
48 . 1 1 8 8 TYR HE1 H 1 6.900 0.001 . 2 . . . . . . . . 5487 1
49 . 1 1 9 9 ARG H H 1 8.788 0.001 . 1 . . . . . . . . 5487 1
50 . 1 1 9 9 ARG HA H 1 3.830 0.001 . 1 . . . . . . . . 5487 1
51 . 1 1 9 9 ARG HB3 H 1 1.433 0.001 . 2 . . . . . . . . 5487 1
52 . 1 1 9 9 ARG HB2 H 1 1.744 0.001 . 2 . . . . . . . . 5487 1
53 . 1 1 9 9 ARG HG3 H 1 1.302 0.001 . 2 . . . . . . . . 5487 1
54 . 1 1 9 9 ARG HG2 H 1 1.750 0.001 . 2 . . . . . . . . 5487 1
55 . 1 1 10 10 GLY H H 1 7.397 0.001 . 1 . . . . . . . . 5487 1
56 . 1 1 10 10 GLY HA3 H 1 3.721 0.001 . 2 . . . . . . . . 5487 1
57 . 1 1 10 10 GLY HA2 H 1 3.906 0.001 . 2 . . . . . . . . 5487 1
58 . 1 1 11 11 ILE H H 1 7.695 0.001 . 1 . . . . . . . . 5487 1
59 . 1 1 11 11 ILE HA H 1 5.269 0.001 . 1 . . . . . . . . 5487 1
60 . 1 1 11 11 ILE HB H 1 1.751 0.001 . 1 . . . . . . . . 5487 1
61 . 1 1 11 11 ILE HD11 H 1 0.546 0.001 . 1 . . . . . . . . 5487 1
62 . 1 1 11 11 ILE HD12 H 1 0.546 0.001 . 1 . . . . . . . . 5487 1
63 . 1 1 11 11 ILE HD13 H 1 0.546 0.001 . 1 . . . . . . . . 5487 1
64 . 1 1 11 11 ILE HG12 H 1 1.061 0.001 . 4 . . . . . . . . 5487 1
65 . 1 1 11 11 ILE HG13 H 1 0.811 0.001 . 4 . . . . . . . . 5487 1
66 . 1 1 11 11 ILE HG21 H 1 1.279 0.001 . 4 . . . . . . . . 5487 1
67 . 1 1 11 11 ILE HG22 H 1 1.279 0.001 . 4 . . . . . . . . 5487 1
68 . 1 1 11 11 ILE HG23 H 1 1.279 0.001 . 4 . . . . . . . . 5487 1
69 . 1 1 12 12 TYR H H 1 8.409 0.001 . 1 . . . . . . . . 5487 1
70 . 1 1 12 12 TYR HA H 1 4.767 0.001 . 1 . . . . . . . . 5487 1
71 . 1 1 12 12 TYR HB3 H 1 2.735 0.001 . 2 . . . . . . . . 5487 1
72 . 1 1 12 12 TYR HB2 H 1 2.799 0.001 . 2 . . . . . . . . 5487 1
73 . 1 1 12 12 TYR HD1 H 1 6.956 0.001 . 2 . . . . . . . . 5487 1
74 . 1 1 12 12 TYR HE1 H 1 6.736 0.001 . 2 . . . . . . . . 5487 1
75 . 1 1 13 13 TYR H H 1 8.705 0.001 . 1 . . . . . . . . 5487 1
76 . 1 1 13 13 TYR HA H 1 4.527 0.001 . 1 . . . . . . . . 5487 1
77 . 1 1 13 13 TYR HB2 H 1 2.800 0.001 . 2 . . . . . . . . 5487 1
78 . 1 1 13 13 TYR HD1 H 1 7.100 0.001 . 2 . . . . . . . . 5487 1
79 . 1 1 13 13 TYR HE1 H 1 6.873 0.001 . 2 . . . . . . . . 5487 1
80 . 1 1 14 14 ARG H H 1 8.519 0.001 . 1 . . . . . . . . 5487 1
81 . 1 1 14 14 ARG HA H 1 4.255 0.001 . 1 . . . . . . . . 5487 1
82 . 1 1 14 14 ARG HB3 H 1 1.607 0.001 . 2 . . . . . . . . 5487 1
83 . 1 1 14 14 ARG HB2 H 1 1.793 0.001 . 2 . . . . . . . . 5487 1
84 . 1 1 14 14 ARG HG2 H 1 1.468 0.001 . 2 . . . . . . . . 5487 1
85 . 1 1 14 14 ARG HD2 H 1 2.678 0.001 . 2 . . . . . . . . 5487 1
86 . 1 1 15 15 ARG H H 1 8.484 0.001 . 1 . . . . . . . . 5487 1
87 . 1 1 15 15 ARG HA H 1 4.381 0.001 . 1 . . . . . . . . 5487 1
88 . 1 1 15 15 ARG HG2 H 1 1.374 0.001 . 2 . . . . . . . . 5487 1
89 . 1 1 16 16 TYR H H 1 8.499 0.001 . 1 . . . . . . . . 5487 1
90 . 1 1 16 16 TYR HA H 1 4.742 0.001 . 1 . . . . . . . . 5487 1
91 . 1 1 16 16 TYR HB3 H 1 2.777 0.001 . 2 . . . . . . . . 5487 1
92 . 1 1 16 16 TYR HB2 H 1 2.966 0.001 . 2 . . . . . . . . 5487 1
93 . 1 1 16 16 TYR HD1 H 1 7.017 0.001 . 2 . . . . . . . . 5487 1
94 . 1 1 16 16 TYR HE1 H 1 6.759 0.001 . 2 . . . . . . . . 5487 1
95 . 1 1 17 17 ARG H H 1 8.396 0.001 . 1 . . . . . . . . 5487 1
96 . 1 1 17 17 ARG HA H 1 4.219 0.001 . 1 . . . . . . . . 5487 1
97 . 1 1 17 17 ARG HB3 H 1 1.555 0.001 . 2 . . . . . . . . 5487 1
98 . 1 1 17 17 ARG HB2 H 1 1.761 0.001 . 2 . . . . . . . . 5487 1
99 . 1 1 17 17 ARG HG2 H 1 0.907 0.001 . 2 . . . . . . . . 5487 1
100 . 1 1 17 17 ARG HD2 H 1 3.154 0.001 . 2 . . . . . . . . 5487 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 37 5487 1
1 36 5487 1
1 35 5487 1
2 68 5487 1
2 67 5487 1
2 66 5487 1
2 65 5487 1
2 64 5487 1
stop_
save_