Content for NMR-STAR saveframe, "Shift_alanine_mutant_in_water"
save_Shift_alanine_mutant_in_water
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Shift_alanine_mutant_in_water
_Assigned_chem_shift_list.Entry_ID 5489
_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 . 5489 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 . . . . . . . . 5489 1
2 . 1 1 1 1 LYS HB2 H 1 1.861 0.001 . 2 . . . . . . . . 5489 1
3 . 1 1 2 2 TRP H H 1 8.861 0.001 . 1 . . . . . . . . 5489 1
4 . 1 1 2 2 TRP HA H 1 4.610 0.001 . 1 . . . . . . . . 5489 1
5 . 1 1 2 2 TRP HZ3 H 1 7.156 0.001 . 2 . . . . . . . . 5489 1
6 . 1 1 2 2 TRP HE3 H 1 7.611 0.001 . 2 . . . . . . . . 5489 1
7 . 1 1 3 3 ALA H H 1 8.158 0.001 . 1 . . . . . . . . 5489 1
8 . 1 1 3 3 ALA HA H 1 4.306 0.001 . 1 . . . . . . . . 5489 1
9 . 1 1 3 3 ALA HB1 H 1 2.702 0.001 . 1 . . . . . . . . 5489 1
10 . 1 1 3 3 ALA HB2 H 1 2.702 0.001 . 1 . . . . . . . . 5489 1
11 . 1 1 3 3 ALA HB3 H 1 2.702 0.001 . 1 . . . . . . . . 5489 1
12 . 1 1 4 4 PHE H H 1 8.012 0.001 . 1 . . . . . . . . 5489 1
13 . 1 1 4 4 PHE HA H 1 4.332 0.001 . 1 . . . . . . . . 5489 1
14 . 1 1 4 4 PHE HB2 H 1 2.967 0.001 . 2 . . . . . . . . 5489 1
15 . 1 1 4 4 PHE HD1 H 1 7.213 0.001 . 2 . . . . . . . . 5489 1
16 . 1 1 4 4 PHE HE1 H 1 7.364 0.001 . 2 . . . . . . . . 5489 1
17 . 1 1 4 4 PHE HZ H 1 7.316 0.001 . 1 . . . . . . . . 5489 1
18 . 1 1 5 5 ARG H H 1 8.181 0.001 . 1 . . . . . . . . 5489 1
19 . 1 1 5 5 ARG HA H 1 4.252 0.001 . 1 . . . . . . . . 5489 1
20 . 1 1 6 6 VAL H H 1 8.277 0.001 . 1 . . . . . . . . 5489 1
21 . 1 1 6 6 VAL HA H 1 3.951 0.001 . 1 . . . . . . . . 5489 1
22 . 1 1 6 6 VAL HG11 H 1 1.979 0.001 . 4 . . . . . . . . 5489 1
23 . 1 1 6 6 VAL HG12 H 1 1.979 0.001 . 4 . . . . . . . . 5489 1
24 . 1 1 6 6 VAL HG13 H 1 1.979 0.001 . 4 . . . . . . . . 5489 1
25 . 1 1 7 7 ALA H H 1 8.522 0.001 . 1 . . . . . . . . 5489 1
26 . 1 1 7 7 ALA HA H 1 4.275 0.001 . 1 . . . . . . . . 5489 1
27 . 1 1 8 8 TYR H H 1 8.391 0.001 . 1 . . . . . . . . 5489 1
28 . 1 1 8 8 TYR HA H 1 4.459 0.001 . 1 . . . . . . . . 5489 1
29 . 1 1 8 8 TYR HD1 H 1 7.095 0.001 . 2 . . . . . . . . 5489 1
30 . 1 1 8 8 TYR HE1 H 1 6.794 0.001 . 2 . . . . . . . . 5489 1
31 . 1 1 9 9 ARG H H 1 8.385 0.001 . 1 . . . . . . . . 5489 1
32 . 1 1 9 9 ARG HA H 1 4.235 0.001 . 1 . . . . . . . . 5489 1
33 . 1 1 9 9 ARG HB3 H 1 1.595 0.001 . 2 . . . . . . . . 5489 1
34 . 1 1 9 9 ARG HB2 H 1 1.767 0.001 . 2 . . . . . . . . 5489 1
35 . 1 1 9 9 ARG HG2 H 1 1.465 0.001 . 2 . . . . . . . . 5489 1
36 . 1 1 9 9 ARG HD3 H 1 2.884 0.001 . 2 . . . . . . . . 5489 1
37 . 1 1 9 9 ARG HD2 H 1 3.054 0.001 . 2 . . . . . . . . 5489 1
38 . 1 1 10 10 GLY H H 1 7.672 0.001 . 1 . . . . . . . . 5489 1
39 . 1 1 10 10 GLY HA2 H 1 3.882 0.001 . 2 . . . . . . . . 5489 1
40 . 1 1 11 11 ILE H H 1 8.210 0.001 . 1 . . . . . . . . 5489 1
41 . 1 1 11 11 ILE HA H 1 4.097 0.001 . 1 . . . . . . . . 5489 1
42 . 1 1 11 11 ILE HB H 1 2.945 0.001 . 1 . . . . . . . . 5489 1
43 . 1 1 12 12 ALA H H 1 8.528 0.001 . 1 . . . . . . . . 5489 1
44 . 1 1 12 12 ALA HA H 1 4.279 0.001 . 1 . . . . . . . . 5489 1
45 . 1 1 13 13 TYR H H 1 8.210 0.001 . 1 . . . . . . . . 5489 1
46 . 1 1 13 13 TYR HA H 1 4.444 0.001 . 1 . . . . . . . . 5489 1
47 . 1 1 13 13 TYR HE1 H 1 6.931 0.001 . 2 . . . . . . . . 5489 1
48 . 1 1 14 14 ARG H H 1 8.187 0.001 . 1 . . . . . . . . 5489 1
49 . 1 1 14 14 ARG HA H 1 4.207 0.001 . 1 . . . . . . . . 5489 1
50 . 1 1 15 15 ARG H H 1 8.388 0.001 . 1 . . . . . . . . 5489 1
51 . 1 1 15 15 ARG HA H 1 4.190 0.001 . 1 . . . . . . . . 5489 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 24 5489 1
1 23 5489 1
1 22 5489 1
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save_