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 bmr16719_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.91
_LACS_plot.Line_1_terminator_val_y_1 -5.03
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.90
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.44
_LACS_plot.Line_2_terminator_val_x_2 7.43
_LACS_plot.Line_2_terminator_val_y_2 2.61
_LACS_plot.Y_axis_chem_shift_offset 2.34
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
37 LYS -4.60 1.08 0
10 TRP -0.33 -1.70 1
11 VAL 5.97 2.05 1
12 GLU 3.57 0.19 1
13 TYR 4.94 1.18 1
14 LYS 6.81 1.79 1
15 SER 3.37 -0.23 1
16 LYS 3.77 -0.12 1
17 PHE 0.03 -3.30 1
18 ASP 2.91 -1.61 1
19 LYS -2.64 -3.95 1
20 ASN 7.43 0.78 1
21 TYR -6.37 -5.81 1
22 GLU -1.07 -3.39 1
23 ALA 4.14 1.31 1
24 GLU 4.55 0.79 1
25 GLU 2.67 -0.33 1
26 ASP 2.50 1.93 1
27 LEU 2.88 -0.05 1
28 MET 3.86 0.62 1
29 ARG 3.99 -0.76 1
30 ARG 3.23 -0.25 1
31 ARG 4.62 0.73 1
32 ILE 5.51 1.93 1
33 TYR 2.81 1.07 1
34 ALA 3.56 0.12 1
35 GLU 3.42 0.03 1
36 SER 5.13 0.99 1
38 ALA 3.95 0.10 1
39 ARG 4.09 0.82 1
40 ILE 4.32 1.57 1
41 GLU 3.81 0.36 1
42 GLU 3.11 -0.17 1
43 HIS 3.26 3.20 1
44 ASN 4.78 -0.56 1
45 ARG 4.67 1.22 1
46 LYS 4.84 1.09 1
47 PHE 5.05 0.90 1
48 GLU 2.93 -0.37 1
49 LYS -0.26 -2.83 1
51 GLU -0.27 -1.79 1
52 VAL -5.01 -5.65 1
53 THR 1.22 -1.55 1
54 TRP -4.47 -5.25 1
55 LYS -2.39 -3.77 1
56 MET -4.11 -2.71 1
58 ILE 1.15 -2.27 1
59 ASN 0.41 -0.97 1
61 LEU 0.98 -3.33 1
62 ALA 2.76 0.08 1
63 ASP -2.38 -4.46 1
64 LEU -2.09 -3.80 1
67 GLU 4.08 0.49 1
68 GLU 0.03 -1.19 1
69 PHE 3.67 0.27 1
70 ALA 0.20 -2.45 1
71 GLN 1.69 -1.19 1
72 ARG -7.91 -2.57 1
73 SER 0.74 -2.02 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16719_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.91
_LACS_plot.Line_1_terminator_val_y_1 2.88
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.90
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.44
_LACS_plot.Line_2_terminator_val_x_2 7.43
_LACS_plot.Line_2_terminator_val_y_2 -4.82
_LACS_plot.Y_axis_chem_shift_offset 2.34
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
37 LYS -4.60 5.68 0
10 TRP -0.33 -1.37 1
11 VAL 5.97 -3.92 1
12 GLU 3.57 -3.38 1
13 TYR 4.94 -3.76 1
14 LYS 6.81 -5.02 1
15 SER 3.37 -3.60 1
16 LYS 3.77 -3.89 1
17 PHE 0.03 -3.33 1
18 ASP 2.91 -4.52 1
19 LYS -2.64 -1.31 1
20 ASN 7.43 -6.65 1
21 TYR -6.37 0.56 1
22 GLU -1.07 -2.32 1
23 ALA 4.14 -2.83 1
24 GLU 4.55 -3.76 1
25 GLU 2.67 -3.00 1
26 ASP 2.50 -0.57 1
27 LEU 2.88 -2.93 1
28 MET 3.86 -3.24 1
29 ARG 3.99 -4.75 1
30 ARG 3.23 -3.48 1
31 ARG 4.62 -3.89 1
32 ILE 5.51 -3.58 1
33 TYR 2.81 -1.74 1
34 ALA 3.56 -3.44 1
35 GLU 3.42 -3.39 1
36 SER 5.13 -4.14 1
38 ALA 3.95 -3.85 1
39 ARG 4.09 -3.27 1
40 ILE 4.32 -2.75 1
41 GLU 3.81 -3.45 1
42 GLU 3.11 -3.28 1
43 HIS 3.26 -0.06 1
44 ASN 4.78 -5.34 1
45 ARG 4.67 -3.45 1
46 LYS 4.84 -3.75 1
47 PHE 5.05 -4.15 1
48 GLU 2.93 -3.30 1
49 LYS -0.26 -2.57 1
51 GLU -0.27 -1.52 1
52 VAL -5.01 -0.64 1
53 THR 1.22 -2.77 1
54 TRP -4.47 -0.78 1
55 LYS -2.39 -1.38 1
56 MET -4.11 1.40 1
58 ILE 1.15 -3.42 1
59 ASN 0.41 -1.38 1
61 LEU 0.98 -4.31 1
62 ALA 2.76 -2.68 1
63 ASP -2.38 -2.08 1
64 LEU -2.09 -1.71 1
67 GLU 4.08 -3.59 1
68 GLU 0.03 -1.22 1
69 PHE 3.67 -3.40 1
70 ALA 0.20 -2.65 1
71 GLN 1.69 -2.88 1
72 ARG -7.91 5.34 1
73 SER 0.74 -2.76 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16719_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.91
_LACS_plot.Line_1_terminator_val_y_1 0.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.04
_LACS_plot.Line_2_terminator_val_x_2 7.43
_LACS_plot.Line_2_terminator_val_y_2 -0.69
_LACS_plot.Y_axis_chem_shift_offset 0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
72 ARG -7.91 -0.23 0
10 TRP -0.33 0.03 1
11 VAL 5.97 -0.95 1
12 GLU 3.57 -0.44 1
13 TYR 4.94 -0.60 1
14 LYS 6.81 -1.17 1
15 SER 3.37 -0.49 1
16 LYS 3.77 -0.74 1
17 PHE 0.03 0.01 1
18 ASP 2.91 -0.57 1
19 LYS -2.64 -0.28 1
20 ASN 7.43 -0.36 1
21 TYR -6.37 0.64 1
22 GLU -1.07 0.03 1
23 ALA 4.14 -0.33 1
24 GLU 4.55 -0.35 1
25 GLU 2.67 -0.35 1
26 ASP 2.50 -0.41 1
27 LEU 2.88 -0.51 1
28 MET 3.86 -0.58 1
29 ARG 3.99 -0.48 1
30 ARG 3.23 -0.33 1
31 ARG 4.62 -0.45 1
32 ILE 5.51 -0.60 1
33 TYR 2.81 -0.67 1
34 ALA 3.56 -0.77 1
35 GLU 3.42 -0.23 1
36 SER 5.13 -0.40 1
37 LYS -4.60 -0.24 1
38 ALA 3.95 -0.29 1
39 ARG 4.09 -0.33 1
40 ILE 4.32 -0.53 1
41 GLU 3.81 -0.43 1
42 GLU 3.11 -0.32 1
43 HIS 3.26 -0.90 1
44 ASN 4.78 -0.13 1
45 ARG 4.67 -0.22 1
46 LYS 4.84 -0.50 1
47 PHE 5.05 0.07 1
48 GLU 2.93 -0.56 1
49 LYS -0.26 -0.11 1
51 GLU -0.27 -0.34 1
52 VAL -5.01 0.52 1
53 THR 1.22 0.28 1
54 TRP -4.47 0.31 1
55 LYS -2.39 -0.20 1
56 MET -4.11 -0.01 1
58 ILE 1.15 -0.14 1
59 ASN 0.41 -0.39 1
61 LEU 0.98 -0.22 1
62 ALA 2.76 -0.28 1
63 ASP -2.38 0.13 1
64 LEU -2.09 0.05 1
67 GLU 4.08 -0.36 1
68 GLU 0.03 -0.35 1
69 PHE 3.67 -0.72 1
70 ALA 0.20 -0.44 1
71 GLN 1.69 -0.14 1
73 SER 0.74 0.22 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16719_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.91
_LACS_plot.Line_1_terminator_val_y_1 -4.45
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.55
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.08
_LACS_plot.Line_2_terminator_val_x_2 7.43
_LACS_plot.Line_2_terminator_val_y_2 0.31
_LACS_plot.Y_axis_chem_shift_offset 2.25
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
20 ASN 7.43 -5.33 0
10 TRP -0.33 -2.11 1
11 VAL 5.97 0.20 1
12 GLU 3.57 -1.86 1
13 TYR 4.94 -2.24 1
14 LYS 6.81 0.03 1
15 SER 3.37 -2.52 1
16 LYS 3.77 -1.63 1
17 PHE 0.03 -5.26 1
18 ASP 2.91 -4.49 1
19 LYS -2.64 -4.23 1
21 TYR -6.37 -1.94 1
22 GLU -1.07 -2.84 1
23 ALA 4.14 -1.00 1
24 GLU 4.55 -0.07 1
25 GLU 2.67 -1.66 1
26 ASP 2.50 -1.86 1
27 LEU 2.88 -0.76 1
28 MET 3.86 -0.61 1
29 ARG 3.99 -2.01 1
30 ARG 3.23 -0.87 1
31 ARG 4.62 -0.14 1
32 ILE 5.51 -0.61 1
33 TYR 2.81 -1.82 1
34 ALA 3.56 0.42 1
35 GLU 3.42 0.41 1
36 SER 5.13 -1.32 1
37 LYS -4.60 -1.58 1
38 ALA 3.95 0.15 1
39 ARG 4.09 0.60 1
40 ILE 4.32 -1.63 1
41 GLU 3.81 0.53 1
42 GLU 3.11 -0.66 1
43 HIS 3.26 1.12 1
44 ASN 4.78 1.02 1
45 ARG 4.67 0.64 1
46 LYS 4.84 -3.18 1
47 PHE 5.05 0.63 1
48 GLU 2.93 -1.33 1
49 LYS -0.26 -2.67 1
51 GLU -0.27 -2.87 1
52 VAL -5.01 -2.35 1
53 THR 1.22 -3.65 1
54 TRP -4.47 -6.02 1
55 LYS -2.39 -3.05 1
56 MET -4.11 -3.09 1
58 ILE 1.15 -3.37 1
59 ASN 0.41 0.62 1
61 LEU 0.98 -1.27 1
62 ALA 2.76 -0.15 1
63 ASP -2.38 -5.20 1
64 LEU -2.09 -2.93 1
67 GLU 4.08 1.60 1
68 GLU 0.03 0.56 1
69 PHE 3.67 -2.87 1
70 ALA 0.20 -3.20 1
71 GLN 1.69 -3.67 1
72 ARG -7.91 -3.02 1
73 SER 0.74 -3.39 1
stop_
save_