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 bmr11469_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.17
_LACS_plot.Line_1_terminator_val_y_1 -3.13
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.66
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.40
_LACS_plot.Line_2_terminator_val_x_2 4.70
_LACS_plot.Line_2_terminator_val_y_2 2.86
_LACS_plot.Y_axis_chem_shift_offset 0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 ASP -1.18 1.17 0
25 ILE -4.53 -1.22 0
38 LEU 4.13 3.92 0
10 LYS -1.26 -0.96 1
11 VAL -0.28 -0.98 1
12 ARG 1.70 0.46 1
14 ILE 2.39 1.70 1
16 SER 1.28 0.58 1
17 SER -1.97 -1.86 1
18 THR 0.43 -1.53 1
19 MET -0.20 -0.12 1
20 VAL 0.78 -0.14 1
21 ASN -2.02 -1.66 1
22 ASP 0.51 0.35 1
23 SER -1.14 -1.64 1
24 MET -5.35 -2.47 1
26 GLN -2.46 -2.80 1
28 GLU 1.77 0.74 1
30 GLN 3.46 2.36 1
31 ARG 1.59 0.30 1
33 GLN 3.48 1.18 1
34 VAL 0.62 0.71 1
35 TRP -3.00 -1.58 1
36 GLN -4.82 -1.87 1
37 HIS 0.95 2.07 1
39 ASN 2.88 1.75 1
41 VAL -0.18 0.05 1
42 LEU -0.66 -1.27 1
43 ILE -1.26 -1.00 1
45 ASP 1.04 1.09 1
46 LYS -1.97 -1.26 1
49 GLU -2.44 -1.52 1
50 SER -0.27 -0.42 1
51 ALA -1.06 -0.87 1
52 GLU -1.75 -1.20 1
53 VAL 0.53 0.13 1
56 VAL -2.56 -1.45 1
57 PHE -0.87 0.39 1
58 TYR -6.17 -3.36 1
60 GLU 4.70 2.28 1
61 LEU 2.77 1.84 1
63 ARG 3.63 2.52 1
64 LEU 1.96 1.25 1
65 SER 0.98 0.30 1
66 ARG 0.03 -0.25 1
67 ALA -0.50 -0.49 1
68 ASP 0.53 1.34 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11469_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.17
_LACS_plot.Line_1_terminator_val_y_1 3.04
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.34
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.60
_LACS_plot.Line_2_terminator_val_x_2 4.70
_LACS_plot.Line_2_terminator_val_y_2 -1.84
_LACS_plot.Y_axis_chem_shift_offset 0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 ASP -1.18 2.35 0
25 ILE -4.53 3.31 0
38 LEU 4.13 -0.21 0
10 LYS -1.26 0.30 1
11 VAL -0.28 -0.70 1
12 ARG 1.70 -1.24 1
14 ILE 2.39 -0.69 1
16 SER 1.28 -0.70 1
17 SER -1.97 0.11 1
18 THR 0.43 -1.96 1
19 MET -0.20 0.08 1
20 VAL 0.78 -0.92 1
21 ASN -2.02 0.36 1
22 ASP 0.51 -0.16 1
23 SER -1.14 -0.50 1
24 MET -5.35 2.88 1
26 GLN -2.46 -0.34 1
28 GLU 1.77 -1.03 1
30 GLN 3.46 -1.10 1
31 ARG 1.59 -1.29 1
33 GLN 3.48 -2.30 1
34 VAL 0.62 0.09 1
35 TRP -3.00 1.42 1
36 GLN -4.82 2.95 1
37 HIS 0.95 1.12 1
39 ASN 2.88 -1.13 1
41 VAL -0.18 0.23 1
42 LEU -0.66 -0.61 1
43 ILE -1.26 0.26 1
45 ASP 1.04 0.05 1
46 LYS -1.97 0.71 1
49 GLU -2.44 0.92 1
50 SER -0.27 -0.15 1
51 ALA -1.06 0.19 1
52 GLU -1.75 0.55 1
53 VAL 0.53 -0.40 1
56 VAL -2.56 1.11 1
57 PHE -0.87 1.26 1
58 TYR -6.17 2.81 1
60 GLU 4.70 -2.42 1
61 LEU 2.77 -0.93 1
63 ARG 3.63 -1.11 1
64 LEU 1.96 -0.71 1
65 SER 0.98 -0.68 1
66 ARG 0.03 -0.28 1
67 ALA -0.50 0.01 1
68 ASP 0.53 0.81 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11469_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.17
_LACS_plot.Line_1_terminator_val_y_1 0.58
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.15
_LACS_plot.Line_2_terminator_val_x_2 4.70
_LACS_plot.Line_2_terminator_val_y_2 -0.37
_LACS_plot.Y_axis_chem_shift_offset -0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
24 MET -5.35 1.07 0
10 LYS -1.26 0.17 1
11 VAL -0.28 0.39 1
12 ARG 1.70 -0.06 1
14 ILE 2.39 0.24 1
16 SER 1.28 -0.02 1
17 SER -1.97 0.42 1
18 THR 0.43 0.09 1
19 MET -0.20 -0.11 1
20 VAL 0.78 -0.03 1
21 ASN -2.02 0.05 1
22 ASP 0.51 -0.16 1
23 SER -1.14 0.29 1
25 ILE -4.53 0.40 1
26 GLN -2.46 0.05 1
28 GLU 1.77 -0.38 1
29 ASP -1.18 0.04 1
30 GLN 3.46 -0.39 1
31 ARG 1.59 -0.12 1
33 GLN 3.48 -0.04 1
34 VAL 0.62 0.41 1
35 TRP -3.00 0.45 1
36 GLN -4.82 0.09 1
37 HIS 0.95 0.27 1
38 LEU 4.13 -0.59 1
39 ASN 2.88 -0.21 1
41 VAL -0.18 0.33 1
42 LEU -0.66 0.33 1
43 ILE -1.26 0.03 1
45 ASP 1.04 -0.21 1
46 LYS -1.97 0.10 1
49 GLU -2.44 0.16 1
50 SER -0.27 -0.01 1
51 ALA -1.06 -0.01 1
52 GLU -1.75 -0.09 1
53 VAL 0.53 -0.29 1
56 VAL -2.56 0.01 1
57 PHE -0.87 -0.30 1
58 TYR -6.17 0.90 1
60 GLU 4.70 -0.40 1
61 LEU 2.77 -0.01 1
63 ARG 3.63 -0.61 1
64 LEU 1.96 -0.19 1
65 SER 0.98 -0.10 1
66 ARG 0.03 -0.10 1
67 ALA -0.50 0.00 1
68 ASP 0.53 -0.32 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11469_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.17
_LACS_plot.Line_1_terminator_val_y_1 -2.26
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.19
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.32
_LACS_plot.Line_2_terminator_val_x_2 4.70
_LACS_plot.Line_2_terminator_val_y_2 0.63
_LACS_plot.Y_axis_chem_shift_offset 0.72
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
25 ILE -4.53 -6.02 0
68 ASP 0.53 4.43 0
10 LYS -1.26 -2.11 1
11 VAL -0.28 -0.79 1
12 ARG 1.70 -4.01 1
14 ILE 2.39 0.32 1
16 SER 1.28 -0.79 1
17 SER -1.97 1.70 1
18 THR 0.43 -1.57 1
19 MET -0.20 -0.62 1
20 VAL 0.78 -0.88 1
21 ASN -2.02 -1.48 1
22 ASP 0.51 -0.15 1
23 SER -1.14 -1.64 1
24 MET -5.35 -1.93 1
26 GLN -2.46 -1.23 1
28 GLU 1.77 0.54 1
29 ASP -1.18 2.26 1
30 GLN 3.46 0.49 1
31 ARG 1.59 -1.21 1
33 GLN 3.48 -0.61 1
34 VAL 0.62 -2.17 1
35 TRP -3.00 -0.78 1
36 GLN -4.82 -1.40 1
37 HIS 0.95 2.96 1
38 LEU 4.13 -0.12 1
39 ASN 2.88 1.21 1
41 VAL -0.18 -0.66 1
42 LEU -0.66 -2.88 1
43 ILE -1.26 -0.33 1
45 ASP 1.04 -0.65 1
46 LYS -1.97 -1.44 1
49 GLU -2.44 -0.90 1
50 SER -0.27 -0.63 1
51 ALA -1.06 -1.35 1
52 GLU -1.75 -1.17 1
53 VAL 0.53 -0.65 1
56 VAL -2.56 -2.61 1
57 PHE -0.87 -4.67 1
58 TYR -6.17 -1.28 1
60 GLU 4.70 0.52 1
61 LEU 2.77 2.11 1
63 ARG 3.63 1.38 1
64 LEU 1.96 0.55 1
65 SER 0.98 -0.30 1
66 ARG 0.03 -1.03 1
67 ALA -0.50 -1.77 1
stop_
save_