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 bmr6962_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 -3.23
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.96
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.59
_LACS_plot.Line_2_terminator_val_x_2 7.55
_LACS_plot.Line_2_terminator_val_y_2 6.17
_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
54 ILE -6.05 -2.71 0
18 ALA 2.84 0.02 0
66 THR -6.52 -2.99 0
10 SER 5.61 4.75 1
11 ASP 4.35 3.48 1
12 ILE 4.49 3.92 1
13 VAL 6.67 5.37 1
14 LYS 5.27 4.61 1
15 GLU 2.90 2.50 1
16 LYS 2.96 1.05 1
17 LEU 0.91 -0.72 1
19 LEU -0.52 -0.56 1
21 ALA 2.31 1.95 1
22 ASP 0.76 -0.35 1
23 VAL 1.72 0.73 1
24 VAL 1.36 0.52 1
25 VAL -0.78 -0.50 1
26 THR -4.96 -2.58 1
27 ALA 2.38 2.52 1
28 ASP -0.76 -0.56 1
29 SER 3.56 2.84 1
30 GLU -4.42 -2.67 1
31 PHE 5.66 5.12 1
32 SER 4.54 2.65 1
33 LYS 2.34 1.56 1
34 LEU 0.35 0.43 1
36 ALA -1.37 -0.58 1
37 ASP -3.17 -2.12 1
38 SER -0.08 1.90 1
39 LEU 3.98 2.38 1
40 ASP 2.52 2.70 1
41 THR 7.21 5.57 1
42 VAL 5.35 4.31 1
43 GLU 2.99 2.56 1
44 ILE 6.07 5.38 1
45 VAL 7.56 6.02 1
46 MET 3.95 3.82 1
47 ASN 2.48 2.87 1
48 LEU 4.14 3.47 1
49 GLU 4.01 3.60 1
50 GLU 2.52 2.23 1
51 GLU 2.24 1.94 1
52 PHE 0.74 1.54 1
55 ASN -2.70 -0.33 1
56 VAL -1.64 -1.34 1
57 ASP -0.45 -0.26 1
58 GLU 3.40 2.78 1
59 ASP 2.89 1.88 1
60 LYS 1.07 0.41 1
61 ALA 1.57 1.11 1
62 GLN 2.01 1.46 1
63 ASP 0.32 0.06 1
64 ILE 1.62 -0.02 1
65 SER -0.05 1.42 1
67 ILE 6.13 2.93 1
68 GLN 4.26 3.72 1
69 GLN 3.14 2.78 1
70 ALA 3.53 2.88 1
71 ALA 2.48 2.63 1
72 ASP 4.91 3.76 1
73 VAL 5.76 4.28 1
74 ILE 5.70 4.47 1
75 GLU 4.71 3.78 1
77 LEU 2.40 2.11 1
78 LEU 2.15 2.00 1
79 GLU 1.38 1.26 1
80 LYS 0.55 0.17 1
81 LYS 0.47 0.39 1
82 ALA 0.54 1.47 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6962_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 3.29
_LACS_plot.Line_1_terminator_val_x_2 1.99
_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 0.41
_LACS_plot.Line_2_terminator_val_x_2 7.55
_LACS_plot.Line_2_terminator_val_y_2 -1.38
_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
54 ILE -6.05 3.34 0
18 ALA 2.84 -2.82 0
66 THR -6.52 3.53 0
10 SER 5.61 -0.86 1
11 ASP 4.35 -0.87 1
12 ILE 4.49 -0.57 1
13 VAL 6.67 -1.30 1
14 LYS 5.27 -0.66 1
15 GLU 2.90 -0.40 1
16 LYS 2.96 -1.91 1
17 LEU 0.91 -1.63 1
19 LEU -0.52 -0.04 1
21 ALA 2.31 -0.36 1
22 ASP 0.76 -1.11 1
23 VAL 1.72 -0.99 1
24 VAL 1.36 -0.84 1
25 VAL -0.78 0.28 1
26 THR -4.96 2.38 1
27 ALA 2.38 0.14 1
28 ASP -0.76 0.20 1
29 SER 3.56 -0.72 1
30 GLU -4.42 1.75 1
31 PHE 5.66 -0.54 1
32 SER 4.54 -1.89 1
33 LYS 2.34 -0.78 1
34 LEU 0.35 0.08 1
36 ALA -1.37 0.79 1
37 ASP -3.17 1.05 1
38 SER -0.08 1.98 1
39 LEU 3.98 -1.60 1
40 ASP 2.52 0.18 1
41 THR 7.21 -1.64 1
42 VAL 5.35 -1.04 1
43 GLU 2.99 -0.43 1
44 ILE 6.07 -0.69 1
45 VAL 7.56 -1.54 1
46 MET 3.95 -0.13 1
47 ASN 2.48 0.39 1
48 LEU 4.14 -0.67 1
49 GLU 4.01 -0.41 1
50 GLU 2.52 -0.29 1
51 GLU 2.24 -0.30 1
52 PHE 0.74 0.80 1
55 ASN -2.70 2.37 1
56 VAL -1.64 0.30 1
57 ASP -0.45 0.19 1
58 GLU 3.40 -0.62 1
59 ASP 2.89 -1.01 1
60 LYS 1.07 -0.66 1
61 ALA 1.57 -0.46 1
62 GLN 2.01 -0.55 1
63 ASP 0.32 -0.26 1
64 ILE 1.62 -1.64 1
65 SER -0.05 1.47 1
67 ILE 6.13 -3.20 1
68 GLN 4.26 -0.54 1
69 GLN 3.14 -0.36 1
70 ALA 3.53 -0.65 1
71 ALA 2.48 0.15 1
72 ASP 4.91 -1.15 1
73 VAL 5.76 -1.48 1
74 ILE 5.70 -1.23 1
75 GLU 4.71 -0.93 1
77 LEU 2.40 -0.29 1
78 LEU 2.15 -0.15 1
79 GLU 1.38 -0.12 1
80 LYS 0.55 -0.38 1
81 LYS 0.47 -0.08 1
82 ALA 0.54 0.93 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6962_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 0.59
_LACS_plot.Line_1_terminator_val_x_2 1.99
_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 0.18
_LACS_plot.Line_2_terminator_val_x_2 7.55
_LACS_plot.Line_2_terminator_val_y_2 -0.70
_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
66 THR -6.52 0.99 0
10 SER 5.61 -0.61 1
11 ASP 4.35 -0.28 1
12 ILE 4.49 -0.30 1
13 VAL 6.67 -0.68 1
14 LYS 5.27 -0.56 1
15 GLU 2.90 -0.22 1
16 LYS 2.96 -0.11 1
17 LEU 0.91 0.05 1
18 ALA 2.84 -0.23 1
19 LEU -0.52 0.00 1
21 ALA 2.31 -0.26 1
22 ASP 0.76 -0.21 1
23 VAL 1.72 -0.24 1
24 VAL 1.36 -0.20 1
25 VAL -0.78 0.09 1
26 THR -4.96 0.36 1
27 ALA 2.38 -0.60 1
28 ASP -0.76 0.00 1
29 SER 3.56 -0.22 1
30 GLU -4.42 0.52 1
31 PHE 5.66 -0.79 1
32 SER 4.54 -0.11 1
33 LYS 2.34 -0.01 1
34 LEU 0.35 -0.06 1
36 ALA -1.37 0.33 1
37 ASP -3.17 0.21 1
38 SER -0.08 -0.13 1
39 LEU 3.98 -0.06 1
40 ASP 2.52 -0.18 1
41 THR 7.21 -0.81 1
42 VAL 5.35 -0.49 1
43 GLU 2.99 -0.24 1
44 ILE 6.07 -0.69 1
45 VAL 7.56 -0.75 1
46 MET 3.95 -0.11 1
47 ASN 2.48 -0.07 1
48 LEU 4.14 -0.08 1
49 GLU 4.01 -0.38 1
50 GLU 2.52 -0.22 1
51 GLU 2.24 -0.40 1
52 PHE 0.74 -0.05 1
54 ILE -6.05 0.57 1
55 ASN -2.70 0.27 1
56 VAL -1.64 -0.09 1
57 ASP -0.45 -0.07 1
58 GLU 3.40 -0.49 1
59 ASP 2.89 -0.21 1
60 LYS 1.07 -0.06 1
61 ALA 1.57 -0.28 1
62 GLN 2.01 -0.23 1
63 ASP 0.32 0.05 1
64 ILE 1.62 -0.13 1
65 SER -0.05 0.50 1
67 ILE 6.13 -0.67 1
68 GLN 4.26 -0.67 1
69 GLN 3.14 -0.11 1
70 ALA 3.53 -0.37 1
71 ALA 2.48 -0.57 1
72 ASP 4.91 -0.14 1
73 VAL 5.76 -0.41 1
74 ILE 5.70 -0.96 1
75 GLU 4.71 -0.52 1
77 LEU 2.40 -0.10 1
78 LEU 2.15 -0.25 1
79 GLU 1.38 -0.18 1
80 LYS 0.55 0.00 1
81 LYS 0.47 0.00 1
82 ALA 0.54 -0.19 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6962_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 -1.61
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.94
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.18
_LACS_plot.Line_2_terminator_val_x_2 7.55
_LACS_plot.Line_2_terminator_val_y_2 2.22
_LACS_plot.Y_axis_chem_shift_offset -0.33
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
54 ILE -6.05 -2.35 0
66 THR -6.52 0.51 0
10 SER 5.61 0.65 1
12 ILE 4.49 1.85 1
13 VAL 6.67 0.79 1
14 LYS 5.27 2.25 1
15 GLU 2.90 3.40 1
16 LYS 2.96 1.70 1
17 LEU 0.91 -2.57 1
18 ALA 2.84 -0.78 1
19 LEU -0.52 0.62 1
21 ALA 2.31 0.38 1
22 ASP 0.76 -0.45 1
23 VAL 1.72 -1.05 1
24 VAL 1.36 -0.97 1
25 VAL -0.78 -0.84 1
26 THR -4.96 0.24 1
27 ALA 2.38 -0.96 1
28 ASP -0.76 -0.01 1
29 SER 3.56 -2.15 1
30 GLU -4.42 0.93 1
31 PHE 5.66 2.11 1
32 SER 4.54 3.13 1
33 LYS 2.34 1.74 1
34 LEU 0.35 -1.00 1
36 ALA -1.37 -0.94 1
37 ASP -3.17 0.97 1
38 SER -0.08 1.30 1
39 LEU 3.98 1.96 1
40 ASP 2.52 1.95 1
41 THR 7.21 0.71 1
43 GLU 2.99 2.92 1
44 ILE 6.07 0.95 1
45 VAL 7.56 1.46 1
46 MET 3.95 2.89 1
47 ASN 2.48 3.93 1
48 LEU 4.14 1.21 1
49 GLU 4.01 3.12 1
50 GLU 2.52 2.30 1
51 GLU 2.24 1.24 1
52 PHE 0.74 0.12 1
55 ASN -2.70 -1.47 1
56 VAL -1.64 -1.92 1
57 ASP -0.45 0.70 1
58 GLU 3.40 0.98 1
60 LYS 1.07 1.36 1
61 ALA 1.57 -0.26 1
62 GLN 2.01 -0.06 1
63 ASP 0.32 -0.81 1
64 ILE 1.62 -1.26 1
65 SER -0.05 1.56 1
67 ILE 6.13 1.50 1
68 GLN 4.26 0.96 1
69 GLN 3.14 3.61 1
70 ALA 3.53 0.29 1
71 ALA 2.48 0.48 1
72 ASP 4.91 3.61 1
73 VAL 5.76 3.01 1
74 ILE 5.70 0.92 1
75 GLU 4.71 3.43 1
77 LEU 2.40 2.72 1
78 LEU 2.15 1.75 1
79 GLU 1.38 0.66 1
81 LYS 0.47 -1.16 1
stop_
save_