Content for NMR-STAR saveframe, "shift_set_2"
save_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 5819
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_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
;
The chemical shift values of residues Val12, Ile13, Pro14 and Ala15 correspond
to the cis isomer form of Pro14.
;
_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_1 . 5819 2
. . 2 $sample_2 . 5819 2
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 12 12 VAL H H 1 7.89 0.01 . 1 . . . . 44 . . . 5819 2
2 . 1 1 12 12 VAL HA H 1 4.11 0.01 . 1 . . . . 44 . . . 5819 2
3 . 1 1 12 12 VAL HB H 1 2.02 0.01 . 1 . . . . 44 . . . 5819 2
4 . 1 1 12 12 VAL HG11 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
5 . 1 1 12 12 VAL HG12 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
6 . 1 1 12 12 VAL HG13 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
7 . 1 1 12 12 VAL HG21 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
8 . 1 1 12 12 VAL HG22 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
9 . 1 1 12 12 VAL HG23 H 1 0.93 0.01 . 1 . . . . 44 . . . 5819 2
10 . 1 1 12 12 VAL C C 13 174.8 0.1 . 1 . . . . 44 . . . 5819 2
11 . 1 1 12 12 VAL CA C 13 62.2 0.1 . 1 . . . . 44 . . . 5819 2
12 . 1 1 12 12 VAL CB C 13 32.5 0.1 . 1 . . . . 44 . . . 5819 2
13 . 1 1 12 12 VAL CG1 C 13 20.8 0.1 . 1 . . . . 44 . . . 5819 2
14 . 1 1 12 12 VAL CG2 C 13 20.8 0.1 . 1 . . . . 44 . . . 5819 2
15 . 1 1 12 12 VAL N N 15 119.7 0.1 . 1 . . . . 44 . . . 5819 2
16 . 1 1 13 13 ILE H H 1 7.97 0.1 . 1 . . . . 45 . . . 5819 2
17 . 1 1 13 13 ILE HG12 H 1 1.48 0.01 . 9 . . . . 45 . . . 5819 2
18 . 1 1 13 13 ILE HG13 H 1 1.12 0.01 . 9 . . . . 45 . . . 5819 2
19 . 1 1 13 13 ILE HG21 H 1 0.89 0.01 . 1 . . . . 45 . . . 5819 2
20 . 1 1 13 13 ILE HG22 H 1 0.89 0.01 . 1 . . . . 45 . . . 5819 2
21 . 1 1 13 13 ILE HG23 H 1 0.89 0.01 . 1 . . . . 45 . . . 5819 2
22 . 1 1 13 13 ILE HD11 H 1 0.85 0.01 . 1 . . . . 45 . . . 5819 2
23 . 1 1 13 13 ILE HD12 H 1 0.85 0.01 . 1 . . . . 45 . . . 5819 2
24 . 1 1 13 13 ILE HD13 H 1 0.85 0.01 . 1 . . . . 45 . . . 5819 2
25 . 1 1 13 13 ILE C C 13 174.8 0.1 . 1 . . . . 45 . . . 5819 2
26 . 1 1 13 13 ILE CA C 13 57.5 0.1 . 1 . . . . 45 . . . 5819 2
27 . 1 1 13 13 ILE CB C 13 40.5 0.1 . 1 . . . . 45 . . . 5819 2
28 . 1 1 13 13 ILE CG1 C 13 26.5 0.1 . 9 . . . . 45 . . . 5819 2
29 . 1 1 13 13 ILE CG2 C 13 16.9 0.1 . 1 . . . . 45 . . . 5819 2
30 . 1 1 13 13 ILE CD1 C 13 12.8 0.1 . 1 . . . . 45 . . . 5819 2
31 . 1 1 13 13 ILE N N 15 123.6 0.1 . 1 . . . . 45 . . . 5819 2
32 . 1 1 14 14 PRO HA H 1 4.70 0.01 . 1 . . . . 46 . . . 5819 2
33 . 1 1 14 14 PRO HB2 H 1 2.39 0.01 . 2 . . . . 46 . . . 5819 2
34 . 1 1 14 14 PRO HB3 H 1 2.12 0.01 . 2 . . . . 46 . . . 5819 2
35 . 1 1 14 14 PRO HG2 H 1 1.94 0.01 . 1 . . . . 46 . . . 5819 2
36 . 1 1 14 14 PRO HG3 H 1 1.94 0.01 . 1 . . . . 46 . . . 5819 2
37 . 1 1 14 14 PRO HD2 H 1 3.59 0.01 . 2 . . . . 46 . . . 5819 2
38 . 1 1 14 14 PRO HD3 H 1 3.54 0.01 . 2 . . . . 46 . . . 5819 2
39 . 1 1 14 14 PRO C C 13 175.7 0.1 . 1 . . . . 46 . . . 5819 2
40 . 1 1 14 14 PRO CA C 13 62.8 0.1 . 1 . . . . 46 . . . 5819 2
41 . 1 1 14 14 PRO CB C 13 34.2 0.1 . 1 . . . . 46 . . . 5819 2
42 . 1 1 14 14 PRO CG C 13 24.7 0.1 . 1 . . . . 46 . . . 5819 2
43 . 1 1 14 14 PRO CD C 13 49.9 0.1 . 1 . . . . 46 . . . 5819 2
44 . 1 1 15 15 ALA H H 1 8.61 0.01 . 1 . . . . 47 . . . 5819 2
45 . 1 1 15 15 ALA C C 13 178.4 0.1 . 1 . . . . 47 . . . 5819 2
46 . 1 1 15 15 ALA CA C 13 52.6 0.1 . 1 . . . . 47 . . . 5819 2
47 . 1 1 15 15 ALA CB C 13 19.1 0.1 . 1 . . . . 47 . . . 5819 2
48 . 1 1 15 15 ALA N N 15 124.1 0.1 . 1 . . . . 47 . . . 5819 2
stop_
save_