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 bmr11440_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -4.41
_LACS_plot.Line_1_terminator_val_y_1 -2.17
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.16
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.52
_LACS_plot.Line_2_terminator_val_x_2 6.12
_LACS_plot.Line_2_terminator_val_y_2 4.25
_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
53 ASP -0.10 -2.20 0
57 ASP 0.22 -2.18 0
10 ARG 5.32 4.03 1
11 GLU 2.83 1.91 1
12 ALA 2.98 1.86 1
13 PHE 3.13 2.89 1
14 ARG 4.05 2.87 1
15 VAL 4.43 2.67 1
16 PHE 1.77 1.42 1
17 ASP -0.63 -2.33 1
18 LYS 3.79 2.35 1
21 ASN -1.83 -0.11 1
23 TYR -4.22 -1.90 1
24 ILE -4.41 -2.10 1
25 SER -1.62 -1.05 1
26 ALA 3.85 2.37 1
27 ALA 3.17 1.87 1
28 ASP 3.10 2.00 1
29 LEU 3.68 2.40 1
30 ARG 5.02 3.50 1
31 HIS 2.47 2.97 1
32 VAL 5.30 3.80 1
33 MET 3.69 1.97 1
34 THR 4.38 3.20 1
35 ASN 2.01 1.48 1
36 LEU 0.16 -0.01 1
38 GLU -0.83 -0.98 1
39 LYS 0.92 -0.56 1
40 LEU -3.27 -1.48 1
41 THR -2.33 -1.54 1
42 ASP 4.66 3.30 1
43 GLU 3.88 2.77 1
44 GLU 1.90 1.91 1
45 VAL 6.13 4.35 1
46 ASP 4.17 3.17 1
47 GLU 3.10 2.13 1
48 MET 3.44 3.50 1
49 ILE 5.83 4.15 1
50 ARG 3.97 2.56 1
51 GLU 1.61 0.94 1
52 ALA -0.16 0.11 1
54 ILE 3.07 2.02 1
55 ASP -0.50 -1.86 1
59 GLN -2.89 -1.95 1
60 VAL -3.18 -1.73 1
61 ASN -2.08 -1.73 1
62 TYR 4.09 2.77 1
63 GLU 4.56 2.77 1
64 ASP 3.40 2.36 1
65 PHE 3.50 2.87 1
66 VAL 6.11 4.02 1
67 GLN 4.32 2.67 1
68 MET 3.64 2.35 1
69 MET 1.37 0.72 1
70 THR 0.56 0.26 1
71 ALA 0.23 -0.12 1
72 LYS 0.84 0.86 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11440_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -4.41
_LACS_plot.Line_1_terminator_val_y_1 2.24
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.84
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.48
_LACS_plot.Line_2_terminator_val_x_2 6.12
_LACS_plot.Line_2_terminator_val_y_2 -1.87
_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
53 ASP -0.10 -2.10 0
57 ASP 0.22 -2.40 0
10 ARG 5.32 -1.29 1
11 GLU 2.83 -0.92 1
12 ALA 2.98 -1.12 1
13 PHE 3.13 -0.24 1
14 ARG 4.05 -1.18 1
15 VAL 4.43 -1.76 1
16 PHE 1.77 -0.35 1
17 ASP -0.63 -1.70 1
18 LYS 3.79 -1.44 1
21 ASN -1.83 1.72 1
23 TYR -4.22 2.32 1
24 ILE -4.41 2.31 1
25 SER -1.62 0.57 1
26 ALA 3.85 -1.48 1
27 ALA 3.17 -1.30 1
28 ASP 3.10 -1.10 1
29 LEU 3.68 -1.28 1
30 ARG 5.02 -1.52 1
31 HIS 2.47 0.50 1
32 VAL 5.30 -1.50 1
33 MET 3.69 -1.72 1
34 THR 4.38 -1.18 1
35 ASN 2.01 -0.53 1
36 LEU 0.16 -0.17 1
38 GLU -0.83 -0.15 1
39 LYS 0.92 -1.48 1
40 LEU -3.27 1.79 1
41 THR -2.33 0.79 1
42 ASP 4.66 -1.36 1
43 GLU 3.88 -1.11 1
44 GLU 1.90 0.01 1
45 VAL 6.13 -1.78 1
46 ASP 4.17 -1.00 1
47 GLU 3.10 -0.97 1
48 MET 3.44 0.06 1
49 ILE 5.83 -1.68 1
50 ARG 3.97 -1.41 1
51 GLU 1.61 -0.67 1
52 ALA -0.16 0.27 1
54 ILE 3.07 -1.05 1
55 ASP -0.50 -1.36 1
59 GLN -2.89 0.94 1
60 VAL -3.18 1.45 1
61 ASN -2.08 0.35 1
62 TYR 4.09 -1.32 1
63 GLU 4.56 -1.79 1
64 ASP 3.40 -1.04 1
65 PHE 3.50 -0.63 1
66 VAL 6.11 -2.09 1
67 GLN 4.32 -1.65 1
68 MET 3.64 -1.29 1
69 MET 1.37 -0.65 1
70 THR 0.56 -0.30 1
71 ALA 0.23 -0.35 1
72 LYS 0.84 0.02 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11440_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -4.41
_LACS_plot.Line_1_terminator_val_y_1 0.76
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.47
_LACS_plot.Line_2_terminator_val_x_2 6.12
_LACS_plot.Line_2_terminator_val_y_2 -0.51
_LACS_plot.Y_axis_chem_shift_offset -0.23
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
17 ASP -0.63 0.89 0
23 TYR -4.22 1.21 0
62 TYR 4.09 -0.90 0
10 ARG 5.32 -0.20 1
11 GLU 2.83 -0.11 1
12 ALA 2.98 0.05 1
13 PHE 3.13 -0.46 1
14 ARG 4.05 -0.22 1
15 VAL 4.43 -0.39 1
16 PHE 1.77 -0.08 1
18 LYS 3.79 -0.10 1
21 ASN -1.83 0.03 1
24 ILE -4.41 0.94 1
25 SER -1.62 0.51 1
26 ALA 3.85 -0.36 1
27 ALA 3.17 -0.17 1
28 ASP 3.10 -0.19 1
29 LEU 3.68 -0.50 1
30 ARG 5.02 -0.51 1
31 HIS 2.47 -0.20 1
32 VAL 5.30 -0.42 1
33 MET 3.69 -0.04 1
34 THR 4.38 0.00 1
35 ASN 2.01 0.09 1
36 LEU 0.16 0.22 1
38 GLU -0.83 0.18 1
39 LYS 0.92 0.18 1
40 LEU -3.27 0.53 1
41 THR -2.33 0.30 1
42 ASP 4.66 -0.24 1
43 GLU 3.88 -0.07 1
44 GLU 1.90 -0.12 1
45 VAL 6.13 -0.36 1
46 ASP 4.17 -0.15 1
47 GLU 3.10 -0.18 1
48 MET 3.44 -0.20 1
49 ILE 5.83 -0.45 1
50 ARG 3.97 -0.12 1
51 GLU 1.61 -0.12 1
52 ALA -0.16 0.15 1
53 ASP -0.10 0.62 1
54 ILE 3.07 0.00 1
55 ASP -0.50 0.13 1
57 ASP 0.22 0.38 1
59 GLN -2.89 0.85 1
60 VAL -3.18 0.64 1
61 ASN -2.08 0.28 1
63 GLU 4.56 -0.41 1
64 ASP 3.40 -0.08 1
65 PHE 3.50 -0.30 1
66 VAL 6.11 -0.72 1
67 GLN 4.32 -0.25 1
68 MET 3.64 -0.19 1
69 MET 1.37 -0.08 1
70 THR 0.56 0.12 1
71 ALA 0.23 0.21 1
72 LYS 0.84 -0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11440_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -4.41
_LACS_plot.Line_1_terminator_val_y_1 -1.09
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.98
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.27
_LACS_plot.Line_2_terminator_val_x_2 6.12
_LACS_plot.Line_2_terminator_val_y_2 2.22
_LACS_plot.Y_axis_chem_shift_offset -0.34
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
72 LYS 0.84 4.68 0
10 ARG 5.32 2.60 1
11 GLU 2.83 1.55 1
12 ALA 2.98 1.47 1
13 PHE 3.13 1.52 1
14 ARG 4.05 2.24 1
15 VAL 4.43 0.55 1
16 PHE 1.77 -0.03 1
17 ASP -0.63 -0.75 1
24 ILE -4.41 -2.15 1
25 SER -1.62 1.01 1
26 ALA 3.85 0.91 1
27 ALA 3.17 2.12 1
28 ASP 3.10 1.45 1
29 LEU 3.68 0.71 1
30 ARG 5.02 1.79 1
31 HIS 2.47 3.35 1
32 VAL 5.30 1.64 1
33 MET 3.69 2.33 1
34 THR 4.38 1.90 1
35 ASN 2.01 1.02 1
36 LEU 0.16 -0.17 1
38 GLU -0.83 -0.77 1
39 LYS 0.92 -0.91 1
40 LEU -3.27 0.04 1
41 THR -2.33 0.56 1
42 ASP 4.66 1.82 1
43 GLU 3.88 2.43 1
44 GLU 1.90 2.81 1
45 VAL 6.13 0.96 1
46 ASP 4.17 2.67 1
47 GLU 3.10 1.63 1
48 MET 3.44 2.14 1
49 ILE 5.83 0.86 1
50 ARG 3.97 2.53 1
51 GLU 1.61 0.85 1
52 ALA -0.16 -0.03 1
53 ASP -0.10 0.85 1
54 ILE 3.07 0.19 1
55 ASP -0.50 1.32 1
60 VAL -3.18 -2.43 1
61 ASN -2.08 0.44 1
62 TYR 4.09 -0.06 1
63 GLU 4.56 -0.08 1
64 ASP 3.40 2.32 1
65 PHE 3.50 0.74 1
66 VAL 6.11 2.39 1
67 GLN 4.32 2.00 1
68 MET 3.64 1.71 1
69 MET 1.37 1.31 1
70 THR 0.56 -0.36 1
71 ALA 0.23 -1.14 1
stop_
save_