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 bmr11300_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.68
_LACS_plot.Line_1_terminator_val_y_1 -3.33
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.03
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.38
_LACS_plot.Line_2_terminator_val_x_2 6.10
_LACS_plot.Line_2_terminator_val_y_2 4.91
_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
42 LYS -6.68 -3.49 0
54 TRP -1.98 1.29 0
11 VAL 0.53 0.38 1
12 TRP -0.32 -0.47 1
13 ARG -2.18 -1.22 1
14 ASN 5.72 4.53 1
15 THR 4.46 3.00 1
16 GLU 1.31 2.75 1
17 ASP 4.03 3.60 1
18 GLU 3.42 2.95 1
19 ILE 4.39 4.17 1
20 LEU 4.22 3.97 1
21 LYS 4.57 4.49 1
22 ALA 3.26 2.20 1
23 ALA 1.67 2.30 1
24 VAL 5.01 3.41 1
25 MET 3.92 2.82 1
26 LYS 1.78 2.46 1
27 TYR 0.35 0.35 1
29 LYS 1.21 0.40 1
30 ASN -1.54 -0.77 1
31 GLN -1.14 -1.49 1
32 TRP 3.02 2.52 1
33 SER 5.72 4.01 1
34 ARG 3.65 2.59 1
35 ILE 6.11 4.87 1
36 ALA 4.23 2.88 1
37 SER 3.30 2.77 1
38 LEU 0.54 0.28 1
39 LEU -3.47 -1.65 1
40 HIS 0.94 2.75 1
41 ARG 2.29 0.49 1
43 SER -4.92 -2.15 1
44 ALA 5.15 4.17 1
45 LYS 3.97 3.63 1
46 GLN 3.13 3.28 1
48 LYS 3.21 2.89 1
49 ALA 3.21 2.35 1
50 ARG 1.71 1.24 1
51 TRP 3.41 3.59 1
52 TYR 5.87 5.23 1
53 GLU 0.22 0.39 1
55 LEU -0.94 0.78 1
56 ASP -0.05 0.12 1
58 SER 1.83 1.62 1
59 ILE 1.34 0.77 1
60 LYS 0.61 -0.04 1
61 LYS 0.08 -0.02 1
62 THR 0.05 0.12 1
63 GLU -0.54 -0.18 1
64 TRP -0.24 -0.06 1
65 SER -0.75 -0.41 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11300_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.68
_LACS_plot.Line_1_terminator_val_y_1 3.35
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.97
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.62
_LACS_plot.Line_2_terminator_val_x_2 6.10
_LACS_plot.Line_2_terminator_val_y_2 -1.19
_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
42 LYS -6.68 3.19 0
54 TRP -1.98 3.27 0
11 VAL 0.53 -0.15 1
12 TRP -0.32 -0.15 1
13 ARG -2.18 0.96 1
14 ASN 5.72 -1.19 1
15 THR 4.46 -1.46 1
16 GLU 1.31 1.44 1
17 ASP 4.03 -0.43 1
18 GLU 3.42 -0.47 1
19 ILE 4.39 -0.22 1
20 LEU 4.22 -0.25 1
21 LYS 4.57 -0.08 1
22 ALA 3.26 -1.06 1
23 ALA 1.67 0.63 1
24 VAL 5.01 -1.60 1
25 MET 3.92 -1.10 1
26 LYS 1.78 0.68 1
27 TYR 0.35 0.00 1
29 LYS 1.21 -0.81 1
30 ASN -1.54 0.77 1
31 GLN -1.14 -0.35 1
32 TRP 3.02 -0.50 1
33 SER 5.72 -1.71 1
34 ARG 3.65 -1.06 1
35 ILE 6.11 -1.24 1
36 ALA 4.23 -1.35 1
37 SER 3.30 -0.53 1
38 LEU 0.54 -0.26 1
39 LEU -3.47 1.82 1
40 HIS 0.94 1.81 1
41 ARG 2.29 -1.80 1
43 SER -4.92 2.77 1
44 ALA 5.15 -0.98 1
45 LYS 3.97 -0.34 1
46 GLN 3.13 0.15 1
48 LYS 3.21 -0.32 1
49 ALA 3.21 -0.86 1
50 ARG 1.71 -0.47 1
51 TRP 3.41 0.18 1
52 TYR 5.87 -0.64 1
53 GLU 0.22 0.17 1
55 LEU -0.94 1.72 1
56 ASP -0.05 0.17 1
58 SER 1.83 -0.21 1
59 ILE 1.34 -0.57 1
60 LYS 0.61 -0.65 1
61 LYS 0.08 -0.10 1
62 THR 0.05 0.07 1
63 GLU -0.54 0.36 1
64 TRP -0.24 0.18 1
65 SER -0.75 0.34 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11300_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.68
_LACS_plot.Line_1_terminator_val_y_1 0.42
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.07
_LACS_plot.Line_2_terminator_val_x_2 6.10
_LACS_plot.Line_2_terminator_val_y_2 -0.49
_LACS_plot.Y_axis_chem_shift_offset 0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
48 LYS 3.21 -2.43 0
11 VAL 0.53 -0.03 1
12 TRP -0.32 -0.28 1
13 ARG -2.18 0.29 1
14 ASN 5.72 -0.21 1
15 THR 4.46 -0.30 1
16 GLU 1.31 -0.21 1
17 ASP 4.03 0.07 1
18 GLU 3.42 -0.25 1
19 ILE 4.39 -0.35 1
20 LEU 4.22 -0.22 1
21 LYS 4.57 -0.28 1
22 ALA 3.26 -0.21 1
23 ALA 1.67 -0.13 1
24 VAL 5.01 -0.80 1
25 MET 3.92 -0.47 1
26 LYS 1.78 -0.40 1
27 TYR 0.35 -0.07 1
29 LYS 1.21 -0.79 1
30 ASN -1.54 0.25 1
31 GLN -1.14 0.33 1
32 TRP 3.02 -0.49 1
33 SER 5.72 -0.19 1
34 ARG 3.65 -0.34 1
35 ILE 6.11 -0.73 1
36 ALA 4.23 -0.20 1
37 SER 3.30 -0.15 1
38 LEU 0.54 -0.02 1
39 LEU -3.47 0.28 1
40 HIS 0.94 -0.19 1
41 ARG 2.29 -0.39 1
42 LYS -6.68 0.62 1
43 SER -4.92 0.25 1
44 ALA 5.15 -0.27 1
45 LYS 3.97 -0.45 1
46 GLN 3.13 -0.10 1
49 ALA 3.21 -0.21 1
50 ARG 1.71 -0.56 1
51 TRP 3.41 -0.52 1
52 TYR 5.87 -0.63 1
53 GLU 0.22 -0.13 1
54 TRP -1.98 0.05 1
55 LEU -0.94 -0.43 1
56 ASP -0.05 -1.67 1
58 SER 1.83 -0.27 1
59 ILE 1.34 -0.28 1
60 LYS 0.61 -0.12 1
61 LYS 0.08 -0.04 1
62 THR 0.05 -0.09 1
63 GLU -0.54 -0.07 1
64 TRP -0.24 0.02 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11300_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.68
_LACS_plot.Line_1_terminator_val_y_1 -2.21
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.63
_LACS_plot.Line_2_terminator_val_x_2 6.10
_LACS_plot.Line_2_terminator_val_y_2 2.79
_LACS_plot.Y_axis_chem_shift_offset -0.29
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
42 LYS -6.68 -1.10 0
43 SER -4.92 1.59 0
15 THR 4.46 2.68 1
16 GLU 1.31 1.65 1
17 ASP 4.03 2.88 1
18 GLU 3.42 3.68 1
19 ILE 4.39 2.22 1
20 LEU 4.22 0.20 1
21 LYS 4.57 2.12 1
22 ALA 3.26 2.62 1
23 ALA 1.67 1.62 1
24 VAL 5.01 3.61 1
25 MET 3.92 0.95 1
26 LYS 1.78 1.28 1
27 TYR 0.35 0.79 1
29 LYS 1.21 -1.56 1
30 ASN -1.54 0.09 1
31 GLN -1.14 0.25 1
32 TRP 3.02 2.04 1
33 SER 5.72 2.01 1
34 ARG 3.65 3.06 1
35 ILE 6.11 0.84 1
36 ALA 4.23 2.30 1
37 SER 3.30 0.67 1
38 LEU 0.54 -0.68 1
39 LEU -3.47 -1.86 1
40 HIS 0.94 1.71 1
41 ARG 2.29 -1.04 1
44 ALA 5.15 1.70 1
45 LYS 3.97 3.14 1
46 GLN 3.13 3.87 1
48 LYS 3.21 0.84 1
49 ALA 3.21 1.33 1
50 ARG 1.71 2.47 1
52 TYR 5.87 2.01 1
53 GLU 0.22 0.35 1
54 TRP -1.98 -0.99 1
55 LEU -0.94 -1.30 1
56 ASP -0.05 0.81 1
58 SER 1.83 0.43 1
59 ILE 1.34 -0.05 1
60 LYS 0.61 -0.25 1
61 LYS 0.08 0.12 1
62 THR 0.05 -0.16 1
63 GLU -0.54 -0.63 1
64 TRP -0.24 0.00 1
stop_
save_