Content for NMR-STAR saveframe, "shift_set_25_minor_isoform"
save_shift_set_25_minor_isoform
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_25_minor_isoform
_Assigned_chem_shift_list.Entry_ID 4870
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_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
;
23 ELPL fragment of minor conformational species exhibiting cis Leu-Pro peptide bond has
been additionally assigned. M1 is deleted in the expression system and in consequence at
low pH G2 is protonated and exhibits unusual chemical shifts of N Arginine, Leucine and
Glutamine in fragments 34LR, 54RMR, 67LEE, 78RER, 81RQ, 89LR, 92LR, 99EV, 101LR are
ambiguously placed in the sequence. The most probable assignment is given, but in most
cases L,R,E assignment could be flopped.
;
_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 . 4870 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 22 22 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 2
2 . 1 1 22 22 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 2
3 . 1 1 22 22 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 2
4 . 1 1 22 22 GLU CG C 13 32.6 0.2 . 1 . . . . . . . . 4870 2
5 . 1 1 22 22 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2
6 . 1 1 22 22 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2
7 . 1 1 22 22 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 4870 2
8 . 1 1 23 23 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 4870 2
9 . 1 1 23 23 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4870 2
10 . 1 1 23 23 LEU CA C 13 52.2 0.2 . 1 . . . . . . . . 4870 2
11 . 1 1 23 23 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4870 2
12 . 1 1 23 23 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 4870 2
13 . 1 1 24 24 PRO CD C 13 50.0 0.2 . 1 . . . . . . . . 4870 2
14 . 1 1 24 24 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 4870 2
15 . 1 1 24 24 PRO HA H 1 4.53 0.2 . 1 . . . . . . . . 4870 2
16 . 1 1 24 24 PRO CB C 13 34.3 0.2 . 1 . . . . . . . . 4870 2
17 . 1 1 24 24 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4870 2
18 . 1 1 24 24 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4870 2
19 . 1 1 24 24 PRO CG C 13 24.4 0.2 . 1 . . . . . . . . 4870 2
20 . 1 1 24 24 PRO HG2 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2
21 . 1 1 24 24 PRO HG3 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2
22 . 1 1 24 24 PRO C C 13 176.3 0.2 . 1 . . . . . . . . 4870 2
23 . 1 1 25 25 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4870 2
24 . 1 1 25 25 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4870 2
25 . 1 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4870 2
26 . 1 1 25 25 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 2
27 . 1 1 25 25 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4870 2
28 . 1 1 25 25 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2
29 . 1 1 25 25 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2
30 . 1 1 25 25 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4870 2
31 . 1 1 25 25 LEU HG H 1 1.00 0.02 . 1 . . . . . . . . 4870 2
32 . 1 1 25 25 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2
33 . 1 1 25 25 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2
34 . 1 1 25 25 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2
35 . 1 1 25 25 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2
36 . 1 1 25 25 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2
37 . 1 1 25 25 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2
38 . 1 1 25 25 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 4870 2
39 . 1 1 25 25 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 2
40 . 1 1 25 25 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 4870 2
41 . 1 1 26 26 ASP N N 15 118.8 0.2 . 1 . . . . . . . . 4870 2
42 . 1 1 26 26 ASP H H 1 7.75 0.02 . 1 . . . . . . . . 4870 2
stop_
save_