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 bmr4989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 -3.60
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.84
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.67
_LACS_plot.Line_2_terminator_val_x_2 7.89
_LACS_plot.Line_2_terminator_val_y_2 6.38
_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
57 MET -4.79 -1.32 0
27 VAL 5.26 1.65 0
69 THR -7.32 -3.62 0
10 GLU 4.24 3.69 1
11 ARG 2.05 3.72 1
12 VAL 5.72 4.74 1
13 THR 7.90 6.61 1
14 LYS 4.37 3.41 1
15 ILE 3.79 3.44 1
16 ILE 5.80 5.09 1
17 VAL 5.51 4.70 1
18 ASP 3.22 2.96 1
19 ARG 1.87 1.40 1
20 LEU -0.39 -0.49 1
22 VAL -3.07 -3.30 1
23 ASP -1.70 -0.25 1
24 GLU 4.30 3.64 1
25 ALA 1.99 1.46 1
26 ASP 0.75 0.63 1
28 LYS -4.95 -2.76 1
29 LEU 4.11 2.98 1
30 GLU 1.27 0.18 1
31 ALA 0.03 -0.28 1
32 SER -2.16 -2.37 1
33 PHE 5.64 4.27 1
34 LYS 2.37 2.28 1
35 GLU 2.92 2.78 1
36 ASP 1.05 2.05 1
37 LEU 0.18 -0.76 1
39 ALA -2.46 -1.01 1
40 ASP -2.79 -2.07 1
41 SER 0.93 2.64 1
42 LEU 4.06 2.51 1
43 ASP 2.69 3.26 1
44 VAL 6.87 5.15 1
45 VAL 5.49 4.38 1
46 GLU 3.78 2.78 1
47 LEU 3.65 3.22 1
48 VAL 7.43 5.51 1
49 MET 3.90 3.85 1
50 GLU 3.74 3.03 1
51 LEU 4.40 3.32 1
52 GLU 3.30 3.54 1
53 ASP 2.23 2.38 1
54 GLU 1.98 1.52 1
55 PHE 1.62 0.80 1
56 ASP 2.84 0.69 1
58 GLU -3.09 -1.40 1
59 ILE -0.08 -0.37 1
60 SER -1.03 -0.35 1
61 ASP 4.93 3.53 1
62 GLU 3.43 2.74 1
63 ASP 3.47 2.46 1
64 ALA 3.32 2.45 1
65 GLU 1.62 1.40 1
66 LYS -0.04 -0.36 1
67 ILE 2.82 0.75 1
68 ALA -2.19 0.30 1
70 VAL 5.96 4.48 1
72 ASP 2.31 3.08 1
73 ALA 5.28 2.96 1
74 VAL 5.70 4.61 1
75 ASN 3.67 2.85 1
76 TYR 4.81 4.20 1
77 ILE 4.06 3.44 1
78 GLN 2.73 2.36 1
79 ASN 1.03 0.83 1
80 GLN 0.13 -0.35 1
81 GLN 0.87 1.68 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 3.72
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.16
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.33
_LACS_plot.Line_2_terminator_val_x_2 7.89
_LACS_plot.Line_2_terminator_val_y_2 -1.51
_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
57 MET -4.79 3.47 0
27 VAL 5.26 -3.61 0
69 THR -7.32 3.70 0
10 GLU 4.24 -0.55 1
11 ARG 2.05 1.67 1
12 VAL 5.72 -0.98 1
13 THR 7.90 -1.29 1
14 LYS 4.37 -0.96 1
15 ILE 3.79 -0.35 1
16 ILE 5.80 -0.71 1
17 VAL 5.51 -0.81 1
18 ASP 3.22 -0.26 1
19 ARG 1.87 -0.47 1
20 LEU -0.39 -0.10 1
22 VAL -3.07 -0.23 1
23 ASP -1.70 1.45 1
24 GLU 4.30 -0.66 1
25 ALA 1.99 -0.53 1
26 ASP 0.75 -0.12 1
28 LYS -4.95 2.19 1
29 LEU 4.11 -1.13 1
30 GLU 1.27 -1.09 1
31 ALA 0.03 -0.31 1
32 SER -2.16 -0.21 1
33 PHE 5.64 -1.37 1
34 LYS 2.37 -0.09 1
35 GLU 2.92 -0.14 1
36 ASP 1.05 1.00 1
37 LEU 0.18 -0.94 1
39 ALA -2.46 1.45 1
40 ASP -2.79 0.72 1
41 SER 0.93 1.71 1
42 LEU 4.06 -1.55 1
43 ASP 2.69 0.57 1
44 VAL 6.87 -1.72 1
45 VAL 5.49 -1.11 1
46 GLU 3.78 -1.00 1
47 LEU 3.65 -0.43 1
48 VAL 7.43 -1.92 1
49 MET 3.90 -0.05 1
50 GLU 3.74 -0.71 1
51 LEU 4.40 -1.08 1
52 GLU 3.30 0.24 1
53 ASP 2.23 0.15 1
54 GLU 1.98 -0.46 1
55 PHE 1.62 -0.82 1
56 ASP 2.84 -2.15 1
58 GLU -3.09 1.69 1
59 ILE -0.08 -0.29 1
60 SER -1.03 0.68 1
61 ASP 4.93 -1.40 1
62 GLU 3.43 -0.69 1
63 ASP 3.47 -1.01 1
64 ALA 3.32 -0.87 1
65 GLU 1.62 -0.22 1
66 LYS -0.04 -0.32 1
67 ILE 2.82 -2.07 1
68 ALA -2.19 2.49 1
70 VAL 5.96 -1.48 1
72 ASP 2.31 0.77 1
73 ALA 5.28 -2.32 1
74 VAL 5.70 -1.09 1
75 ASN 3.67 -0.82 1
76 TYR 4.81 -0.61 1
77 ILE 4.06 -0.62 1
78 GLN 2.73 -0.37 1
79 ASN 1.03 -0.20 1
80 GLN 0.13 -0.48 1
81 GLN 0.87 0.81 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.32
_LACS_plot.Line_1_terminator_val_y_1 0.70
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.20
_LACS_plot.Line_2_terminator_val_x_2 7.89
_LACS_plot.Line_2_terminator_val_y_2 -0.75
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
34 LYS 2.37 0.44 0
10 GLU 4.24 -0.33 1
11 ARG 2.05 -0.26 1
12 VAL 5.72 -0.46 1
13 THR 7.90 -0.64 1
14 LYS 4.37 -0.36 1
15 ILE 3.79 -0.29 1
16 ILE 5.80 -0.67 1
17 VAL 5.51 -0.59 1
18 ASP 3.22 -0.24 1
19 ARG 1.87 0.00 1
20 LEU -0.39 0.28 1
22 VAL -3.07 0.31 1
23 ASP -1.70 -0.06 1
24 GLU 4.30 -0.71 1
25 ALA 1.99 -0.25 1
26 ASP 0.75 -0.06 1
27 VAL 5.26 -0.59 1
28 LYS -4.95 0.33 1
29 LEU 4.11 -0.66 1
30 GLU 1.27 -0.15 1
31 ALA 0.03 0.03 1
32 SER -2.16 0.29 1
33 PHE 5.64 -0.48 1
35 GLU 2.92 -0.15 1
36 ASP 1.05 0.35 1
37 LEU 0.18 0.24 1
39 ALA -2.46 0.28 1
40 ASP -2.79 0.26 1
41 SER 0.93 -0.29 1
42 LEU 4.06 -0.14 1
43 ASP 2.69 -0.32 1
44 VAL 6.87 -0.82 1
45 VAL 5.49 -0.53 1
46 GLU 3.78 -0.27 1
47 LEU 3.65 -0.45 1
48 VAL 7.43 -0.75 1
49 MET 3.90 -0.02 1
50 GLU 3.74 -0.07 1
51 LEU 4.40 -0.14 1
52 GLU 3.30 -0.38 1
53 ASP 2.23 -0.07 1
54 GLU 1.98 -0.34 1
55 PHE 1.62 -0.13 1
56 ASP 2.84 -0.17 1
57 MET -4.79 0.41 1
58 GLU -3.09 0.30 1
59 ILE -0.08 0.12 1
60 SER -1.03 -0.07 1
61 ASP 4.93 -0.33 1
62 GLU 3.43 -0.33 1
63 ASP 3.47 -0.20 1
64 ALA 3.32 -0.65 1
65 GLU 1.62 -0.32 1
66 LYS -0.04 0.00 1
67 ILE 2.82 -0.21 1
68 ALA -2.19 0.50 1
69 THR -7.32 0.66 1
70 VAL 5.96 -0.82 1
72 ASP 2.31 -0.13 1
73 ALA 5.28 -0.30 1
74 VAL 5.70 -0.83 1
75 ASN 3.67 -0.37 1
76 TYR 4.81 -0.54 1
77 ILE 4.06 -0.79 1
78 GLN 2.73 -0.31 1
79 ASN 1.03 -0.06 1
80 GLN 0.13 -0.06 1
81 GLN 0.87 -0.21 1
stop_
save_