Content for NMR-STAR saveframe, "Shift_phenylalanine_mutant_in_water"
save_Shift_phenylalanine_mutant_in_water
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Shift_phenylalanine_mutant_in_water
_Assigned_chem_shift_list.Entry_ID 5488
_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_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 . 5488 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 3.927 0.001 . 1 . . . . . . . . 5488 1
2 . 1 1 2 2 TRP H H 1 8.728 0.001 . 1 . . . . . . . . 5488 1
3 . 1 1 2 2 TRP HA H 1 4.636 0.001 . 1 . . . . . . . . 5488 1
4 . 1 1 2 2 TRP HB3 H 1 3.062 0.001 . 2 . . . . . . . . 5488 1
5 . 1 1 2 2 TRP HB2 H 1 3.143 0.001 . 2 . . . . . . . . 5488 1
6 . 1 1 3 3 PHE H H 1 8.035 0.001 . 1 . . . . . . . . 5488 1
7 . 1 1 3 3 PHE HA H 1 4.519 0.001 . 1 . . . . . . . . 5488 1
8 . 1 1 3 3 PHE HB3 H 1 2.737 0.001 . 2 . . . . . . . . 5488 1
9 . 1 1 3 3 PHE HB2 H 1 2.874 0.001 . 2 . . . . . . . . 5488 1
10 . 1 1 4 4 PHE H H 1 8.353 0.001 . 1 . . . . . . . . 5488 1
11 . 1 1 4 4 PHE HA H 1 4.423 0.001 . 1 . . . . . . . . 5488 1
12 . 1 1 4 4 PHE HB2 H 1 2.970 0.001 . 2 . . . . . . . . 5488 1
13 . 1 1 5 5 ARG H H 1 8.181 0.001 . 1 . . . . . . . . 5488 1
14 . 1 1 5 5 ARG HA H 1 4.333 0.001 . 1 . . . . . . . . 5488 1
15 . 1 1 5 5 ARG HB2 H 1 1.655 0.001 . 2 . . . . . . . . 5488 1
16 . 1 1 5 5 ARG HG3 H 1 1.467 0.001 . 2 . . . . . . . . 5488 1
17 . 1 1 5 5 ARG HG2 H 1 1.394 0.001 . 2 . . . . . . . . 5488 1
18 . 1 1 5 5 ARG HD2 H 1 3.019 0.001 . 2 . . . . . . . . 5488 1
19 . 1 1 6 6 VAL H H 1 8.361 0.001 . 1 . . . . . . . . 5488 1
20 . 1 1 6 6 VAL HA H 1 4.140 0.001 . 1 . . . . . . . . 5488 1
21 . 1 1 6 6 VAL HG21 H 1 0.809 0.001 . 4 . . . . . . . . 5488 1
22 . 1 1 6 6 VAL HG22 H 1 0.809 0.001 . 4 . . . . . . . . 5488 1
23 . 1 1 6 6 VAL HG23 H 1 0.809 0.001 . 4 . . . . . . . . 5488 1
24 . 1 1 6 6 VAL HG11 H 1 0.882 0.001 . 4 . . . . . . . . 5488 1
25 . 1 1 6 6 VAL HG12 H 1 0.882 0.001 . 4 . . . . . . . . 5488 1
26 . 1 1 6 6 VAL HG13 H 1 0.882 0.001 . 4 . . . . . . . . 5488 1
27 . 1 1 7 7 PHE H H 1 8.625 0.001 . 1 . . . . . . . . 5488 1
28 . 1 1 7 7 PHE HA H 1 4.731 0.001 . 1 . . . . . . . . 5488 1
29 . 1 1 7 7 PHE HB2 H 1 2.923 0.001 . 2 . . . . . . . . 5488 1
30 . 1 1 8 8 TYR H H 1 8.621 0.001 . 1 . . . . . . . . 5488 1
31 . 1 1 8 8 TYR HA H 1 4.512 0.001 . 1 . . . . . . . . 5488 1
32 . 1 1 8 8 TYR HB2 H 1 2.830 0.001 . 2 . . . . . . . . 5488 1
33 . 1 1 9 9 ARG H H 1 8.675 0.001 . 1 . . . . . . . . 5488 1
34 . 1 1 9 9 ARG HA H 1 3.936 0.001 . 1 . . . . . . . . 5488 1
35 . 1 1 9 9 ARG HB3 H 1 1.516 0.001 . 2 . . . . . . . . 5488 1
36 . 1 1 9 9 ARG HB2 H 1 1.760 0.001 . 2 . . . . . . . . 5488 1
37 . 1 1 9 9 ARG HG2 H 1 1.303 0.001 . 2 . . . . . . . . 5488 1
38 . 1 1 9 9 ARG HD2 H 1 2.827 0.001 . 2 . . . . . . . . 5488 1
39 . 1 1 10 10 GLY H H 1 7.587 0.001 . 1 . . . . . . . . 5488 1
40 . 1 1 10 10 GLY HA3 H 1 3.829 0.001 . 2 . . . . . . . . 5488 1
41 . 1 1 10 10 GLY HA2 H 1 3.972 0.001 . 2 . . . . . . . . 5488 1
42 . 1 1 11 11 ILE H H 1 7.807 0.001 . 1 . . . . . . . . 5488 1
43 . 1 1 11 11 ILE HA H 1 4.117 0.001 . 1 . . . . . . . . 5488 1
44 . 1 1 11 11 ILE HG12 H 1 1.284 0.001 . 4 . . . . . . . . 5488 1
45 . 1 1 11 11 ILE HG13 H 1 1.067 0.001 . 4 . . . . . . . . 5488 1
46 . 1 1 12 12 PHE H H 1 8.458 0.001 . 1 . . . . . . . . 5488 1
47 . 1 1 12 12 PHE HA H 1 4.705 0.001 . 1 . . . . . . . . 5488 1
48 . 1 1 12 12 PHE HB3 H 1 2.901 0.001 . 2 . . . . . . . . 5488 1
49 . 1 1 13 13 TYR H H 1 8.491 0.001 . 1 . . . . . . . . 5488 1
50 . 1 1 13 13 TYR HA H 1 4.473 0.001 . 1 . . . . . . . . 5488 1
51 . 1 1 13 13 TYR HB2 H 1 2.783 0.001 . 2 . . . . . . . . 5488 1
52 . 1 1 14 14 ARG H H 1 8.396 0.001 . 1 . . . . . . . . 5488 1
53 . 1 1 14 14 ARG HA H 1 4.214 0.001 . 1 . . . . . . . . 5488 1
54 . 1 1 14 14 ARG HB2 H 1 1.680 0.001 . 2 . . . . . . . . 5488 1
55 . 1 1 14 14 ARG HG2 H 1 1.541 0.001 . 2 . . . . . . . . 5488 1
56 . 1 1 14 14 ARG HD2 H 1 3.065 0.001 . 2 . . . . . . . . 5488 1
57 . 1 1 15 15 ARG H H 1 8.369 0.001 . 1 . . . . . . . . 5488 1
58 . 1 1 15 15 ARG HA H 1 4.332 0.001 . 1 . . . . . . . . 5488 1
59 . 1 1 15 15 ARG HB3 H 1 1.515 0.001 . 2 . . . . . . . . 5488 1
60 . 1 1 15 15 ARG HB2 H 1 1.635 0.001 . 2 . . . . . . . . 5488 1
61 . 1 1 15 15 ARG HG2 H 1 1.396 0.001 . 2 . . . . . . . . 5488 1
62 . 1 1 15 15 ARG HD2 H 1 3.039 0.001 . 2 . . . . . . . . 5488 1
63 . 1 1 16 16 PHE H H 1 8.528 0.001 . 1 . . . . . . . . 5488 1
64 . 1 1 16 16 PHE HA H 1 4.709 0.001 . 1 . . . . . . . . 5488 1
65 . 1 1 16 16 PHE HB3 H 1 2.899 0.001 . 2 . . . . . . . . 5488 1
66 . 1 1 16 16 PHE HB2 H 1 3.036 0.001 . 2 . . . . . . . . 5488 1
67 . 1 1 17 17 ARG H H 1 8.454 0.001 . 1 . . . . . . . . 5488 1
68 . 1 1 17 17 ARG HA H 1 4.240 0.001 . 1 . . . . . . . . 5488 1
69 . 1 1 17 17 ARG HB3 H 1 1.608 0.001 . 2 . . . . . . . . 5488 1
70 . 1 1 17 17 ARG HB2 H 1 1.773 0.001 . 2 . . . . . . . . 5488 1
71 . 1 1 17 17 ARG HG2 H 1 1.444 0.001 . 2 . . . . . . . . 5488 1
72 . 1 1 17 17 ARG HD2 H 1 3.001 0.001 . 2 . . . . . . . . 5488 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 26 5488 1
1 25 5488 1
1 24 5488 1
1 23 5488 1
1 22 5488 1
1 21 5488 1
2 45 5488 1
2 44 5488 1
stop_
save_