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 bmr4972_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.58
_LACS_plot.Line_1_terminator_val_y_1 -3.01
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.46
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.75
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 3.74
_LACS_plot.Y_axis_chem_shift_offset 0.35
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
12 THR -0.83 -2.72 0
68 GLU -1.25 -3.15 0
10 LEU 2.28 -0.93 1
11 LYS -1.05 -1.20 1
14 LEU -2.81 -1.31 1
15 GLN 3.54 1.90 1
16 ALA 4.15 2.23 1
19 ALA 4.33 2.48 1
20 ALA 4.07 2.20 1
21 LEU 4.69 3.78 1
22 PHE 5.84 4.13 1
23 VAL 4.31 3.15 1
24 GLN 3.20 1.30 1
25 GLU 4.16 2.47 1
26 ALA 1.32 1.60 1
27 ASN 2.91 1.07 1
28 ARG 0.19 -0.45 1
29 PHE 2.99 1.90 1
30 THR 1.98 2.86 1
31 SER -0.41 0.03 1
32 ASP -3.88 -2.27 1
33 VAL -5.79 -2.75 1
34 PHE -5.45 -1.67 1
35 LEU -6.58 -2.92 1
36 GLU -3.73 -0.99 1
37 LYS 2.94 1.24 1
38 ASP -0.75 -1.12 1
40 LYS -3.19 -1.69 1
41 LYS -6.24 -4.08 1
42 VAL 1.24 0.00 1
43 ASN 0.21 -0.40 1
44 ALA 1.00 -0.83 1
45 LYS -4.41 -4.10 1
46 SER 3.62 2.45 1
47 ILE 3.67 2.47 1
48 MET 3.57 2.99 1
50 LEU 3.37 2.17 1
51 MET 3.36 2.34 1
52 SER -1.72 -0.53 1
53 LEU 2.44 -0.20 1
54 ALA 3.05 1.07 1
55 VAL -2.31 -1.33 1
56 SER 4.32 3.01 1
57 THR 0.61 0.46 1
59 THR -2.58 -1.58 1
60 GLU -5.56 -3.65 1
61 VAL 0.97 0.42 1
62 THR -4.03 -1.56 1
63 LEU -4.88 -1.37 1
64 ILE -6.05 -2.48 1
65 ALA -4.73 -2.23 1
66 GLN 3.06 2.57 1
69 ASP 5.91 2.53 1
70 GLU 5.00 2.92 1
71 GLN 4.60 2.02 1
72 GLU 2.66 0.99 1
73 ALA 3.40 2.60 1
74 LEU 2.86 2.31 1
75 GLU 3.35 1.95 1
76 LYS 4.31 2.19 1
77 LEU 4.38 2.51 1
78 ALA 3.51 2.12 1
79 ALA 3.90 3.49 1
80 TYR 2.36 0.86 1
81 VAL 0.22 0.78 1
82 GLN 0.24 -0.54 1
83 GLU -0.55 -0.03 1
84 GLU -1.11 -0.98 1
85 VAL -0.19 -0.61 1
86 LEU 0.24 -0.27 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4972_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.58
_LACS_plot.Line_1_terminator_val_y_1 3.57
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.54
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.25
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 -2.16
_LACS_plot.Y_axis_chem_shift_offset 0.35
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
12 THR -0.83 -1.89 0
68 GLU -1.25 -1.90 0
10 LEU 2.28 -3.21 1
11 LYS -1.05 -0.15 1
14 LEU -2.81 1.50 1
15 GLN 3.54 -1.64 1
16 ALA 4.15 -1.92 1
19 ALA 4.33 -1.85 1
20 ALA 4.07 -1.87 1
21 LEU 4.69 -0.91 1
22 PHE 5.84 -1.71 1
23 VAL 4.31 -1.16 1
24 GLN 3.20 -1.90 1
25 GLU 4.16 -1.69 1
26 ALA 1.32 0.28 1
27 ASN 2.91 -1.84 1
28 ARG 0.19 -0.64 1
29 PHE 2.99 -1.09 1
30 THR 1.98 0.88 1
31 SER -0.41 0.44 1
32 ASP -3.88 1.61 1
33 VAL -5.79 3.04 1
34 PHE -5.45 3.78 1
35 LEU -6.58 3.66 1
36 GLU -3.73 2.74 1
37 LYS 2.94 -1.70 1
38 ASP -0.75 -0.37 1
40 LYS -3.19 1.50 1
41 LYS -6.24 2.16 1
42 VAL 1.24 -1.24 1
43 ASN 0.21 -0.61 1
44 ALA 1.00 -1.83 1
45 LYS -4.41 0.31 1
46 SER 3.62 -1.17 1
47 ILE 3.67 -1.20 1
48 MET 3.57 -0.58 1
50 LEU 3.37 -1.20 1
51 MET 3.36 -1.02 1
52 SER -1.72 1.19 1
53 LEU 2.44 -2.64 1
54 ALA 3.05 -1.98 1
55 VAL -2.31 0.98 1
56 SER 4.32 -1.31 1
57 THR 0.61 -0.15 1
59 THR -2.58 1.00 1
60 GLU -5.56 1.91 1
61 VAL 0.97 -0.55 1
62 THR -4.03 2.47 1
63 LEU -4.88 3.51 1
64 ILE -6.05 3.57 1
65 ALA -4.73 2.50 1
66 GLN 3.06 -0.49 1
69 ASP 5.91 -3.38 1
70 GLU 5.00 -2.08 1
71 GLN 4.60 -2.58 1
72 GLU 2.66 -1.67 1
73 ALA 3.40 -0.80 1
74 LEU 2.86 -0.55 1
75 GLU 3.35 -1.40 1
76 LYS 4.31 -2.12 1
77 LEU 4.38 -1.87 1
78 ALA 3.51 -1.39 1
79 ALA 3.90 -0.41 1
80 TYR 2.36 -1.50 1
81 VAL 0.22 0.56 1
82 GLN 0.24 -0.78 1
83 GLU -0.55 0.52 1
84 GLU -1.11 0.13 1
85 VAL -0.19 -0.42 1
86 LEU 0.24 -0.51 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4972_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.58
_LACS_plot.Line_1_terminator_val_y_1 0.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.25
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 -0.71
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
72 GLU 2.66 -2.47 0
10 LEU 2.28 0.02 1
11 LYS -1.05 -0.07 1
12 THR -0.83 0.14 1
14 LEU -2.81 0.04 1
15 GLN 3.54 -0.31 1
16 ALA 4.15 -0.43 1
19 ALA 4.33 -0.40 1
20 ALA 4.07 -0.34 1
21 LEU 4.69 -1.19 1
22 PHE 5.84 -0.58 1
23 VAL 4.31 -0.42 1
24 GLN 3.20 -0.50 1
25 GLU 4.16 -0.44 1
26 ALA 1.32 -0.40 1
27 ASN 2.91 -0.48 1
28 ARG 0.19 0.02 1
29 PHE 2.99 -0.31 1
30 THR 1.98 -0.20 1
31 SER -0.41 -0.26 1
32 ASP -3.88 0.80 1
33 VAL -5.79 0.89 1
34 PHE -5.45 0.98 1
35 LEU -6.58 1.23 1
36 GLU -3.73 0.28 1
37 LYS 2.94 -0.38 1
38 ASP -0.75 0.10 1
40 LYS -3.19 0.85 1
41 LYS -6.24 0.62 1
42 VAL 1.24 -0.33 1
43 ASN 0.21 -0.27 1
44 ALA 1.00 -0.19 1
45 LYS -4.41 0.25 1
46 SER 3.62 -0.35 1
47 ILE 3.67 -0.32 1
48 MET 3.57 -0.54 1
50 LEU 3.37 -0.23 1
51 MET 3.36 -0.24 1
52 SER -1.72 -0.14 1
53 LEU 2.44 -0.42 1
54 ALA 3.05 -0.48 1
55 VAL -2.31 0.12 1
56 SER 4.32 -0.61 1
57 THR 0.61 -0.14 1
59 THR -2.58 0.71 1
60 GLU -5.56 0.76 1
61 VAL 0.97 0.52 1
62 THR -4.03 0.66 1
63 LEU -4.88 0.63 1
64 ILE -6.05 1.32 1
65 ALA -4.73 1.01 1
66 GLN 3.06 -0.40 1
68 GLU -1.25 0.28 1
69 ASP 5.91 -0.73 1
70 GLU 5.00 -0.51 1
71 GLN 4.60 -0.51 1
73 ALA 3.40 -0.79 1
74 LEU 2.86 -0.54 1
75 GLU 3.35 -0.23 1
76 LYS 4.31 -0.21 1
77 LEU 4.38 -0.46 1
78 ALA 3.51 -0.23 1
79 ALA 3.90 -0.39 1
80 TYR 2.36 -0.04 1
81 VAL 0.22 -0.09 1
82 GLN 0.24 -0.26 1
83 GLU -0.55 -0.12 1
84 GLU -1.11 -0.06 1
85 VAL -0.19 -0.11 1
86 LEU 0.24 -0.14 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4972_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.58
_LACS_plot.Line_1_terminator_val_y_1 -2.72
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.34
_LACS_plot.Line_2_terminator_val_x_2 5.90
_LACS_plot.Line_2_terminator_val_y_2 1.48
_LACS_plot.Y_axis_chem_shift_offset 0.59
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
41 LYS -6.24 -0.01 0
15 GLN 3.54 -3.97 0
10 LEU 2.28 -0.96 1
11 LYS -1.05 1.02 1
12 THR -0.83 -4.62 1
14 LEU -2.81 -1.30 1
16 ALA 4.15 1.63 1
19 ALA 4.33 0.13 1
20 ALA 4.07 -1.03 1
21 LEU 4.69 3.14 1
22 PHE 5.84 0.27 1
23 VAL 4.31 2.41 1
24 GLN 3.20 1.93 1
25 GLU 4.16 1.31 1
26 ALA 1.32 3.50 1
27 ASN 2.91 -0.57 1
28 ARG 0.19 -0.11 1
29 PHE 2.99 1.10 1
30 THR 1.98 2.71 1
31 SER -0.41 -2.57 1
32 ASP -3.88 -0.62 1
33 VAL -5.79 -1.91 1
34 PHE -5.45 -3.59 1
35 LEU -6.58 -1.82 1
36 GLU -3.73 -1.77 1
37 LYS 2.94 -0.74 1
38 ASP -0.75 -2.95 1
40 LYS -3.19 -3.28 1
42 VAL 1.24 -0.94 1
43 ASN 0.21 -2.28 1
44 ALA 1.00 -2.39 1
45 LYS -4.41 1.24 1
46 SER 3.62 -1.70 1
47 ILE 3.67 0.60 1
48 MET 3.57 -1.11 1
50 LEU 3.37 4.29 1
51 MET 3.36 4.51 1
52 SER -1.72 -2.77 1
53 LEU 2.44 -1.84 1
54 ALA 3.05 -0.13 1
55 VAL 4.32 -0.08 1
57 THR 0.61 -0.65 1
59 THR -2.58 -3.69 1
60 GLU -5.56 -2.53 1
61 VAL 0.97 1.22 1
62 THR -4.03 -4.24 1
63 LEU -4.88 -1.74 1
64 ILE -6.05 -3.63 1
65 ALA -4.73 -1.14 1
66 GLN 3.06 -1.44 1
68 GLU -1.25 0.93 1
69 ASP 5.91 -0.30 1
70 GLU 5.00 0.13 1
71 GLN 4.60 1.25 1
72 GLU 2.66 0.04 1
73 ALA 3.40 0.97 1
74 LEU 2.86 1.53 1
75 GLU 3.35 3.68 1
76 LYS 4.31 2.03 1
77 LEU 4.38 0.90 1
78 ALA 3.51 1.83 1
79 ALA 3.90 4.32 1
80 TYR 2.36 1.87 1
81 VAL 0.22 -0.16 1
82 GLN 0.24 -2.02 1
83 GLU -0.55 -1.41 1
84 GLU -1.11 0.56 1
85 VAL -0.19 -2.20 1
86 LEU 0.24 0.99 1
stop_
save_