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 bmr11242_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.07
_LACS_plot.Line_1_terminator_val_y_1 -5.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.98
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -4.34
_LACS_plot.Line_2_terminator_val_x_2 3.59
_LACS_plot.Line_2_terminator_val_y_2 -0.11
_LACS_plot.Y_axis_chem_shift_offset 2.79
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 HIS -4.24 -1.07 0
10 ALA -5.93 -4.48 1
11 ARG -5.91 -5.27 1
12 LEU 0.32 -4.79 1
13 LYS 1.19 -1.41 1
14 PHE -8.07 -6.94 1
15 ASP 0.32 -1.90 1
16 PHE -3.22 -2.79 1
17 GLN -1.84 -4.57 1
18 ALA -1.92 -2.06 1
19 GLN -1.64 -3.31 1
20 SER -1.22 -2.71 1
22 LYS 0.69 -2.02 1
23 GLU -4.01 -4.06 1
24 LEU -3.94 -4.26 1
25 THR 1.90 -1.04 1
26 LEU -7.50 -3.99 1
27 GLN -4.92 -4.73 1
28 LYS 3.23 -0.15 1
30 ASP 1.31 -1.07 1
31 ILE -1.60 -5.46 1
32 VAL -6.54 -6.97 1
33 TYR -2.36 -3.87 1
34 ILE 1.75 -0.82 1
35 HIS -1.57 -0.18 1
36 LYS -2.89 -3.22 1
37 GLU -0.33 -3.22 1
38 VAL 2.73 -0.05 1
39 ASP -0.04 -3.38 1
40 LYS 3.59 -0.39 1
41 ASN -1.38 -1.93 1
42 TRP -3.04 -3.05 1
43 LEU -4.77 -4.96 1
44 GLU -5.59 -5.10 1
46 GLU -7.91 -5.26 1
48 HIS 1.42 -1.91 1
50 ARG -2.23 -3.55 1
51 LEU -3.95 -4.20 1
53 ILE -4.24 -4.15 1
54 PHE 0.61 -3.85 1
56 ALA 3.12 -0.60 1
57 ASN 2.52 -2.28 1
58 TYR 1.11 -2.18 1
59 VAL -5.27 -6.21 1
60 GLU -4.99 -5.44 1
61 VAL 3.20 -0.60 1
62 LEU 0.68 -2.80 1
63 SER -0.22 -2.77 1
66 SER 0.09 -2.66 1
67 SER -0.24 -2.52 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11242_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.07
_LACS_plot.Line_1_terminator_val_y_1 2.20
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.98
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.34
_LACS_plot.Line_2_terminator_val_x_2 3.59
_LACS_plot.Line_2_terminator_val_y_2 -3.70
_LACS_plot.Y_axis_chem_shift_offset 2.79
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 HIS -4.24 3.17 0
10 ALA -5.93 1.45 1
11 ARG -5.91 0.64 1
12 LEU 0.32 -5.11 1
13 LYS 1.19 -2.60 1
14 PHE -8.07 1.13 1
15 ASP 0.32 -2.22 1
16 PHE -3.22 0.43 1
17 GLN -1.84 -2.73 1
18 ALA -1.92 -0.14 1
19 GLN -1.64 -1.67 1
20 SER -1.22 -1.49 1
22 LYS 0.69 -2.71 1
23 GLU -4.01 -0.05 1
24 LEU -3.94 -0.32 1
25 THR 1.90 -2.94 1
26 LEU -7.50 3.51 1
27 GLN -4.92 0.19 1
28 LYS 3.23 -3.38 1
30 ASP 1.31 -2.38 1
31 ILE -1.60 -3.86 1
32 VAL -6.54 -0.43 1
33 TYR -2.36 -1.51 1
34 ILE 1.75 -2.57 1
35 HIS -1.57 1.39 1
36 LYS -2.89 -0.33 1
37 GLU -0.33 -2.89 1
38 VAL 2.73 -2.78 1
39 ASP -0.04 -3.34 1
40 LYS 3.59 -3.98 1
41 ASN -1.38 -0.55 1
42 TRP -3.04 -0.01 1
43 LEU -4.77 -0.19 1
44 GLU -5.59 0.49 1
46 GLU -7.91 2.65 1
48 HIS 1.42 -3.33 1
50 ARG -2.23 -1.32 1
51 LEU -3.95 -0.25 1
53 ILE -4.24 0.09 1
54 PHE 0.61 -4.46 1
56 ALA 3.12 -3.72 1
57 ASN 2.52 -4.80 1
58 TYR 1.11 -3.29 1
59 VAL -5.27 -0.94 1
60 GLU -4.99 -0.45 1
61 VAL 3.20 -3.80 1
62 LEU 0.68 -3.48 1
63 SER -0.22 -2.55 1
66 SER 0.09 -2.75 1
67 SER -0.24 -2.28 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11242_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.07
_LACS_plot.Line_1_terminator_val_y_1 0.67
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.27
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.11
_LACS_plot.Line_2_terminator_val_x_2 3.59
_LACS_plot.Line_2_terminator_val_y_2 -0.44
_LACS_plot.Y_axis_chem_shift_offset 0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
53 ILE -4.24 1.66 0
10 ALA -5.93 0.52 1
11 ARG -5.91 0.88 1
12 LEU 0.32 -0.05 1
13 LYS 1.19 -0.69 1
14 PHE -8.07 0.10 1
15 ASP 0.32 -0.16 1
16 PHE -3.22 0.30 1
17 GLN -1.84 -0.13 1
18 ALA -1.92 -0.39 1
19 GLN -1.64 0.00 1
20 SER -1.22 0.04 1
22 LYS 0.69 -0.11 1
23 GLU -4.01 0.43 1
24 LEU -3.94 0.21 1
25 THR 1.90 0.30 1
26 LEU -7.50 0.18 1
27 GLN -4.92 0.45 1
28 LYS 3.23 -1.21 1
30 ASP 1.31 -0.17 1
31 ILE -1.60 0.78 1
32 VAL -6.54 0.72 1
33 TYR -2.36 0.30 1
34 ILE 1.75 -0.33 1
35 HIS -1.57 0.03 1
36 LYS -2.89 0.25 1
37 GLU -0.33 0.10 1
38 VAL 2.73 -0.37 1
39 ASP -0.04 -0.29 1
40 LYS 3.59 -0.34 1
41 ASN -1.38 -0.12 1
42 TRP -3.04 0.07 1
43 LEU -4.77 0.32 1
44 GLU -5.59 0.50 1
46 GLU -7.91 1.40 1
47 HIS -4.24 -0.04 1
48 HIS 1.42 -0.63 1
50 ARG -2.23 0.21 1
51 LEU -3.95 0.93 1
54 PHE 0.61 -0.20 1
56 ALA 3.12 -0.56 1
57 ASN 2.52 -0.05 1
58 TYR 1.11 0.06 1
59 VAL -5.27 1.12 1
60 GLU -4.99 0.23 1
61 VAL 3.20 -0.35 1
62 LEU 0.68 -0.02 1
63 SER -0.22 -0.02 1
66 SER 0.09 -0.07 1
67 SER -0.24 -0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11242_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.07
_LACS_plot.Line_1_terminator_val_y_1 -5.08
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.68
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.65
_LACS_plot.Line_2_terminator_val_x_2 3.59
_LACS_plot.Line_2_terminator_val_y_2 -2.26
_LACS_plot.Y_axis_chem_shift_offset 3.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
11 ARG -5.91 -2.58 0
46 GLU -7.91 -4.13 0
54 PHE 0.61 -5.62 0
10 ALA -5.93 -6.91 0
12 LEU 0.32 -1.07 1
13 LYS 1.19 -4.90 1
14 PHE -8.07 -4.98 1
15 ASP 0.32 -3.17 1
16 PHE -3.22 -6.05 1
17 GLN -1.84 -5.01 1
18 ALA -1.92 -1.29 1
19 GLN -1.64 -3.53 1
20 SER -1.22 -2.03 1
22 LYS 0.69 -2.02 1
23 GLU -4.01 -3.73 1
24 LEU -3.94 -5.88 1
25 THR 1.90 -1.97 1
26 LEU -7.50 -4.95 1
27 GLN -4.92 -3.79 1
28 LYS 3.23 -2.08 1
30 ASP 1.31 -3.95 1
32 VAL -6.54 -5.52 1
33 TYR -2.36 -5.12 1
35 HIS -1.57 -0.99 1
36 LYS -2.89 -5.32 1
37 GLU -0.33 -3.11 1
38 VAL 2.73 -3.11 1
39 ASP -0.04 -3.51 1
40 LYS 3.59 -2.38 1
41 ASN -1.38 -1.86 1
42 TRP -3.04 -4.94 1
43 LEU -4.77 -6.57 1
44 GLU -5.59 -2.62 1
50 ARG -2.23 -4.93 1
51 LEU -3.95 -2.54 1
53 ILE -4.24 -3.04 1
56 ALA 3.12 -1.35 1
57 ASN 2.52 -2.23 1
58 TYR 1.11 -3.22 1
59 VAL -5.27 -4.92 1
60 GLU -4.99 -3.73 1
61 VAL 3.20 -2.50 1
62 LEU 0.68 -3.12 1
63 SER -0.22 -2.75 1
66 SER 0.09 -2.63 1
67 SER -0.24 -3.35 1
stop_
save_