Content for NMR-STAR saveframe, "chemical_shift_assignment_set_six"
save_chemical_shift_assignment_set_six
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_six
_Assigned_chem_shift_list.Entry_ID 4001
_Assigned_chem_shift_list.ID 6
_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 6
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 3.96 . . 1 . . . . . . . . 4001 6
2 . 1 1 42 42 SER HB2 H 1 3.79 . . 1 . . . . . . . . 4001 6
3 . 1 1 42 42 SER HB3 H 1 3.79 . . 1 . . . . . . . . 4001 6
4 . 1 1 42 42 SER H H 1 6.71 . . 1 . . . . . . . . 4001 6
5 . 1 1 42 42 SER C C 13 176.28 . . 1 . . . . . . . . 4001 6
6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 6
7 . 1 1 42 42 SER CB C 13 61.9 . . 1 . . . . . . . . 4001 6
8 . 1 1 42 42 SER N N 15 112.27 . . 1 . . . . . . . . 4001 6
9 . 1 1 43 43 HIS HA H 1 4.61 . . 1 . . . . . . . . 4001 6
10 . 1 1 43 43 HIS HB2 H 1 3.49 . . 2 . . . . . . . . 4001 6
11 . 1 1 43 43 HIS HB3 H 1 3.36 . . 2 . . . . . . . . 4001 6
12 . 1 1 43 43 HIS H H 1 9.57 . . 1 . . . . . . . . 4001 6
13 . 1 1 43 43 HIS C C 13 179.31 . . 1 . . . . . . . . 4001 6
14 . 1 1 43 43 HIS CA C 13 59.79 . . 1 . . . . . . . . 4001 6
15 . 1 1 43 43 HIS CB C 13 26.74 . . 1 . . . . . . . . 4001 6
16 . 1 1 43 43 HIS N N 15 122.25 . . 1 . . . . . . . . 4001 6
17 . 1 1 44 44 PHE HA H 1 4.64 . . 1 . . . . . . . . 4001 6
18 . 1 1 44 44 PHE HB2 H 1 3.44 . . 1 . . . . . . . . 4001 6
19 . 1 1 44 44 PHE HB3 H 1 3.44 . . 1 . . . . . . . . 4001 6
20 . 1 1 44 44 PHE H H 1 8.33 . . 1 . . . . . . . . 4001 6
21 . 1 1 44 44 PHE C C 13 178.46 . . 1 . . . . . . . . 4001 6
22 . 1 1 44 44 PHE CA C 13 57.84 . . 1 . . . . . . . . 4001 6
23 . 1 1 44 44 PHE CB C 13 36.41 . . 1 . . . . . . . . 4001 6
24 . 1 1 44 44 PHE N N 15 123.78 . . 1 . . . . . . . . 4001 6
25 . 1 1 45 45 LEU HA H 1 4.07 . . 1 . . . . . . . . 4001 6
26 . 1 1 45 45 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 4001 6
27 . 1 1 45 45 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 4001 6
28 . 1 1 45 45 LEU HG H 1 1.59 . . 1 . . . . . . . . 4001 6
29 . 1 1 45 45 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4001 6
30 . 1 1 45 45 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4001 6
31 . 1 1 45 45 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4001 6
32 . 1 1 45 45 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4001 6
33 . 1 1 45 45 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4001 6
34 . 1 1 45 45 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4001 6
35 . 1 1 45 45 LEU H H 1 8.28 . . 1 . . . . . . . . 4001 6
36 . 1 1 45 45 LEU C C 13 177.74 . . 1 . . . . . . . . 4001 6
37 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 6
38 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 6
39 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 6
40 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 6
41 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 6
42 . 1 1 45 45 LEU N N 15 115.41 . . 1 . . . . . . . . 4001 6
43 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 6
44 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 6
45 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 6
46 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 6
47 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 6
48 . 1 1 46 46 GLU H H 1 7.35 . . 1 . . . . . . . . 4001 6
49 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 6
50 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 6
51 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 6
52 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 6
53 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 6
54 . 1 1 47 47 GLU HA H 1 4.58 . . 1 . . . . . . . . 4001 6
55 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 6
56 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 6
57 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 6
58 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 6
59 . 1 1 47 47 GLU H H 1 7.67 . . 1 . . . . . . . . 4001 6
60 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 6
61 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 6
62 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 6
63 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 6
64 . 1 1 47 47 GLU N N 15 119.36 . . 1 . . . . . . . . 4001 6
stop_
save_