Content for NMR-STAR saveframe, "chemical_shift_assignment_set_five"
save_chemical_shift_assignment_set_five
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_five
_Assigned_chem_shift_list.Entry_ID 4001
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_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
;
This save frame contains one set of peak assignments reported for residues
in the protein segment from residues 41 to 46.
;
_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 $sample_one . 4001 5
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 42 42 SER HA H 1 4.01 . . 1 . . . . . . . . 4001 5
2 . 1 1 42 42 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4001 5
3 . 1 1 42 42 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4001 5
4 . 1 1 42 42 SER H H 1 6.7 . . 1 . . . . . . . . 4001 5
5 . 1 1 42 42 SER C C 13 176.52 . . 1 . . . . . . . . 4001 5
6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 5
7 . 1 1 42 42 SER CB C 13 61.92 . . 1 . . . . . . . . 4001 5
8 . 1 1 42 42 SER N N 15 111.79 . . 1 . . . . . . . . 4001 5
9 . 1 1 43 43 HIS HA H 1 4.64 . . 1 . . . . . . . . 4001 5
10 . 1 1 43 43 HIS HB2 H 1 3.6 . . 2 . . . . . . . . 4001 5
11 . 1 1 43 43 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 4001 5
12 . 1 1 43 43 HIS H H 1 9.71 . . 1 . . . . . . . . 4001 5
13 . 1 1 43 43 HIS C C 13 179.07 . . 1 . . . . . . . . 4001 5
14 . 1 1 43 43 HIS CA C 13 59.4 . . 1 . . . . . . . . 4001 5
15 . 1 1 43 43 HIS CB C 13 27.2 . . 1 . . . . . . . . 4001 5
16 . 1 1 43 43 HIS N N 15 122.9 . . 1 . . . . . . . . 4001 5
17 . 1 1 44 44 PHE HA H 1 4.64 . . 1 . . . . . . . . 4001 5
18 . 1 1 44 44 PHE HB2 H 1 3.41 . . 1 . . . . . . . . 4001 5
19 . 1 1 44 44 PHE HB3 H 1 3.41 . . 1 . . . . . . . . 4001 5
20 . 1 1 44 44 PHE H H 1 8.47 . . 1 . . . . . . . . 4001 5
21 . 1 1 44 44 PHE C C 13 178.59 . . 1 . . . . . . . . 4001 5
22 . 1 1 44 44 PHE CA C 13 57.84 . . 1 . . . . . . . . 4001 5
23 . 1 1 44 44 PHE CB C 13 36.41 . . 1 . . . . . . . . 4001 5
24 . 1 1 44 44 PHE N N 15 123.86 . . 1 . . . . . . . . 4001 5
25 . 1 1 45 45 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 5
26 . 1 1 45 45 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4001 5
27 . 1 1 45 45 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 4001 5
28 . 1 1 45 45 LEU HG H 1 1.62 . . 1 . . . . . . . . 4001 5
29 . 1 1 45 45 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4001 5
30 . 1 1 45 45 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4001 5
31 . 1 1 45 45 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4001 5
32 . 1 1 45 45 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4001 5
33 . 1 1 45 45 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4001 5
34 . 1 1 45 45 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4001 5
35 . 1 1 45 45 LEU H H 1 8.33 . . 1 . . . . . . . . 4001 5
36 . 1 1 45 45 LEU C C 13 177.74 . . 1 . . . . . . . . 4001 5
37 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 5
38 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 5
39 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 5
40 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 5
41 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 5
42 . 1 1 45 45 LEU N N 15 115.09 . . 1 . . . . . . . . 4001 5
43 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 5
44 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 5
45 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 5
46 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 5
47 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 5
48 . 1 1 46 46 GLU H H 1 7.35 . . 1 . . . . . . . . 4001 5
49 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 5
50 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 5
51 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 5
52 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 5
53 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 5
54 . 1 1 47 47 GLU HA H 1 4.64 . . 1 . . . . . . . . 4001 5
55 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 5
56 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 5
57 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 5
58 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 5
59 . 1 1 47 47 GLU H H 1 7.64 . . 1 . . . . . . . . 4001 5
60 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 5
61 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 5
62 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 5
63 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 5
64 . 1 1 47 47 GLU N N 15 119.28 . . 1 . . . . . . . . 4001 5
stop_
save_