data_LACS
#################################
# LACS Output Information #
#################################
############################################################
# LACS Designator Definition #
# #
# Index Value Definition #
# #
# 0 Outliers #
# 1 Normal points #
# #
############################################################
save_LACS_CACB_CA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17840_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.22
_LACS_plot.Line_1_terminator_val_y_1 -1.78
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.59
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.44
_LACS_plot.Line_2_terminator_val_x_2 6.81
_LACS_plot.Line_2_terminator_val_y_2 5.07
_LACS_plot.Y_axis_chem_shift_offset -0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 LYS 3.47 -0.28 0
10 LYS 4.80 3.51 1
11 GLN 0.51 0.27 1
12 ALA -2.30 0.01 1
13 LYS -1.66 -1.07 1
14 GLU -6.22 -1.76 1
15 GLU -6.07 -1.94 1
16 ALA -4.54 -1.14 1
17 ILE -4.59 -1.23 1
18 LYS -5.21 -1.08 1
19 GLU -0.62 -1.20 1
20 LEU -5.17 -1.89 1
21 VAL 4.10 3.13 1
22 ASP -2.64 -1.05 1
23 ALA 3.82 2.34 1
25 THR 6.81 5.10 1
26 ALA 2.04 0.34 1
27 GLU 4.21 3.54 1
28 LYS 4.34 3.65 1
29 TYR 4.20 3.37 1
30 PHE 1.84 -0.14 1
31 LYS 5.16 3.76 1
32 LEU 4.09 2.99 1
33 ILE 4.07 2.78 1
34 ALA 3.16 2.73 1
35 ASN 3.37 2.60 1
36 ALA 1.77 1.58 1
37 LYS -0.77 0.06 1
38 THR 0.06 -0.27 1
39 VAL 0.55 0.31 1
40 GLU -1.80 -1.20 1
42 VAL -0.22 0.27 1
43 TRP 0.36 0.53 1
44 THR -3.65 -0.80 1
45 TYR -3.25 -0.82 1
46 LYS -2.98 -2.23 1
47 ASP 2.04 3.23 1
48 GLU 4.68 3.44 1
49 ILE -0.25 -0.71 1
51 THR -3.01 0.46 1
52 PHE -2.99 -0.43 1
53 THR -0.85 -0.08 1
54 VAL -2.34 -2.58 1
55 THR -1.68 -0.10 1
56 GLU 0.00 1.93 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17840_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.22
_LACS_plot.Line_1_terminator_val_y_1 4.44
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.41
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.56
_LACS_plot.Line_2_terminator_val_x_2 6.81
_LACS_plot.Line_2_terminator_val_y_2 -1.74
_LACS_plot.Y_axis_chem_shift_offset -0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 LYS 3.47 -3.75 0
10 LYS 4.80 -1.29 1
11 GLN 0.51 -0.24 1
12 ALA -2.30 2.31 1
13 LYS -1.66 0.59 1
14 GLU -6.22 4.46 1
15 GLU -6.07 4.13 1
16 ALA -4.54 3.40 1
17 ILE -4.59 3.36 1
18 LYS -5.21 4.13 1
19 GLU -0.62 -0.58 1
20 LEU -5.17 3.28 1
21 VAL 4.10 -0.97 1
22 ASP -2.64 1.59 1
23 ALA 3.82 -1.48 1
25 THR 6.81 -1.71 1
26 ALA 2.04 -1.70 1
27 GLU 4.21 -0.67 1
28 LYS 4.34 -0.69 1
29 TYR 4.20 -0.83 1
30 PHE 1.84 -1.98 1
31 LYS 5.16 -1.40 1
32 LEU 4.09 -1.10 1
33 ILE 4.07 -1.29 1
34 ALA 3.16 -0.43 1
35 ASN 3.37 -0.77 1
36 ALA 1.77 -0.19 1
37 LYS -0.77 0.83 1
38 THR 0.06 -0.33 1
39 VAL 0.55 -0.24 1
40 GLU -1.80 0.60 1
42 VAL -0.22 0.49 1
43 TRP 0.36 0.17 1
44 THR -3.65 2.85 1
45 TYR -3.25 2.43 1
46 LYS -2.98 0.75 1
47 ASP 2.04 1.19 1
48 GLU 4.68 -1.24 1
49 ILE -0.25 -0.46 1
51 THR -3.01 3.47 1
52 PHE -2.99 2.56 1
53 THR -0.85 0.77 1
54 VAL -2.34 -0.24 1
55 THR -1.68 1.58 1
56 GLU 0.00 1.93 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17840_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.22
_LACS_plot.Line_1_terminator_val_y_1 0.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.11
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.30
_LACS_plot.Line_2_terminator_val_x_2 6.81
_LACS_plot.Line_2_terminator_val_y_2 -0.56
_LACS_plot.Y_axis_chem_shift_offset -0.10
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 GLU 4.21 -1.55 0
10 LYS 4.80 -0.38 1
11 GLN 0.51 -0.03 1
12 ALA -2.30 0.01 1
13 LYS -1.66 0.95 1
14 GLU -6.22 0.39 1
15 GLU -6.07 1.16 1
16 ALA -4.54 0.55 1
17 ILE -4.59 1.30 1
18 LYS -5.21 0.10 1
19 GLU -0.62 0.62 1
20 LEU -5.17 -0.13 1
21 VAL 4.10 -0.11 1
22 ASP -2.64 0.20 1
23 ALA 3.82 -1.32 1
25 THR 6.81 -0.35 1
26 ALA 2.04 -0.86 1
28 LYS 4.34 -0.68 1
29 TYR 4.20 -0.44 1
30 PHE 1.84 -0.11 1
31 LYS 5.16 -0.30 1
32 LEU 4.09 -0.21 1
33 ILE 4.07 -0.47 1
34 ALA 3.16 -0.38 1
35 ASN 3.37 -0.15 1
36 ALA 1.77 -0.04 1
37 LYS -0.77 -0.01 1
38 THR 0.06 -0.05 1
39 VAL 0.55 0.13 1
40 GLU -1.80 0.19 1
42 VAL -0.22 0.26 1
43 TRP 0.36 0.59 1
44 THR -3.65 0.45 1
45 TYR -3.25 0.45 1
46 LYS -2.98 0.01 1
47 ASP 2.04 -0.64 1
48 GLU 4.68 -0.28 1
49 ILE -0.25 0.45 1
50 LYS 3.47 -0.15 1
51 THR -3.01 1.30 1
52 PHE -2.99 0.94 1
53 THR -0.85 0.87 1
54 VAL -2.34 0.31 1
55 THR -1.68 0.42 1
56 GLU 0.00 -0.17 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17840_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.22
_LACS_plot.Line_1_terminator_val_y_1 -3.47
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.65
_LACS_plot.Line_2_terminator_val_x_2 6.81
_LACS_plot.Line_2_terminator_val_y_2 2.44
_LACS_plot.Y_axis_chem_shift_offset 0.69
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 LYS 3.47 -2.44 0
20 LEU -5.17 -0.07 0
10 LYS 4.80 2.62 1
11 GLN 0.51 -1.11 1
12 ALA -2.30 -4.04 1
13 LYS -1.66 -0.80 1
14 GLU -6.22 -3.28 1
15 GLU -6.07 -2.33 1
16 ALA -4.54 -3.40 1
17 ILE -4.59 -0.69 1
18 LYS -5.21 -3.73 1
19 GLU -0.62 -1.47 1
21 VAL 4.10 -1.30 1
22 ASP -2.64 -1.76 1
23 ALA 3.82 2.28 1
25 THR 6.81 1.86 1
26 ALA 2.04 -2.07 1
27 GLU 4.21 0.53 1
28 LYS 4.34 2.04 1
29 TYR 4.20 1.72 1
30 PHE 1.84 2.71 1
31 LYS 5.16 2.15 1
32 LEU 4.09 3.04 1
33 ILE 4.07 2.09 1
34 ALA 3.16 1.57 1
35 ASN 3.37 -1.33 1
36 ALA 1.77 0.71 1
37 LYS -0.77 -1.20 1
38 THR 0.06 -1.56 1
39 VAL 0.55 -1.43 1
40 GLU -1.80 -1.69 1
42 VAL -0.22 0.10 1
43 TRP 0.36 0.72 1
44 THR -3.65 -2.74 1
45 TYR -3.25 -2.43 1
46 LYS -2.98 -1.75 1
47 ASP 2.04 2.89 1
48 GLU 4.68 0.38 1
49 ILE -0.25 -1.11 1
51 THR -3.01 -1.29 1
52 PHE -2.99 -2.17 1
53 THR -0.85 -3.11 1
54 VAL -2.34 -3.43 1
55 THR -1.68 -1.41 1
stop_
save_