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 bmr16809_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.47
_LACS_plot.Line_1_terminator_val_y_1 -6.16
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.51
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.83
_LACS_plot.Line_2_terminator_val_x_2 5.55
_LACS_plot.Line_2_terminator_val_y_2 1.26
_LACS_plot.Y_axis_chem_shift_offset 2.44
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
39 HIS 0.55 0.69 0
10 ALA -2.06 -3.82 1
11 LEU -1.13 -2.27 1
12 TYR -8.47 -7.17 1
13 ASP -0.32 -2.33 1
14 TYR -2.95 -2.96 1
15 GLN -1.49 -4.07 1
16 THR -1.15 -4.90 1
17 ASN -1.91 -3.54 1
18 ASP -2.37 -2.79 1
20 GLN -0.02 -2.25 1
21 GLU -5.49 -4.20 1
22 LEU -5.20 -4.66 1
23 ALA -0.08 -2.85 1
24 LEU -5.07 -5.10 1
25 ARG -4.03 -5.00 1
27 ASP 4.89 0.86 1
28 GLU 0.09 -2.55 1
29 GLU -4.85 -4.94 1
30 TYR -4.68 -4.05 1
31 TYR -0.53 -2.97 1
32 LEU -0.50 -2.89 1
33 LEU 0.41 -2.22 1
34 ASP -1.81 -2.10 1
35 SER 0.07 -4.02 1
36 SER 4.15 1.06 1
37 GLU -0.91 -3.66 1
38 ILE 4.33 0.95 1
40 TRP -4.07 -3.84 1
41 TRP -6.92 -6.90 1
42 ARG -1.20 -2.82 1
43 VAL -7.20 -6.01 1
44 GLN -7.92 -4.87 1
45 ASP -3.57 -4.28 1
46 LYS 3.77 -0.46 1
47 ASN -0.90 -2.70 1
49 HIS 0.64 -1.52 1
50 GLU -7.39 -5.24 1
52 TYR -1.15 -1.38 1
53 ALA -4.20 -3.49 1
55 SER 5.56 -0.79 1
56 SER 2.84 -0.69 1
57 TYR 0.46 -2.74 1
58 LEU -6.21 -3.85 1
59 VAL -5.64 -5.35 1
60 GLU 0.97 -1.32 1
61 LYS -0.27 -1.98 1
62 SER -0.09 -2.72 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16809_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.47
_LACS_plot.Line_1_terminator_val_y_1 2.31
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.51
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.83
_LACS_plot.Line_2_terminator_val_x_2 5.55
_LACS_plot.Line_2_terminator_val_y_2 -4.29
_LACS_plot.Y_axis_chem_shift_offset 2.44
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
39 HIS 0.55 0.14 0
10 ALA -2.06 -1.76 1
11 LEU -1.13 -1.14 1
12 TYR -8.47 1.30 1
13 ASP -0.32 -2.01 1
14 TYR -2.95 -0.01 1
15 GLN -1.49 -2.58 1
16 THR -1.15 -3.75 1
17 ASN -1.91 -1.63 1
18 ASP -2.37 -0.42 1
20 GLN -0.02 -2.23 1
21 GLU -5.49 1.29 1
22 LEU -5.20 0.54 1
23 ALA -0.08 -2.77 1
24 LEU -5.07 -0.03 1
25 ARG -4.03 -0.97 1
27 ASP 4.89 -4.03 1
28 GLU 0.09 -2.64 1
29 GLU -4.85 -0.09 1
30 TYR -4.68 0.63 1
31 TYR -0.53 -2.44 1
32 LEU -0.50 -2.39 1
33 LEU 0.41 -2.63 1
34 ASP -1.81 -0.29 1
35 SER 0.07 -4.09 1
36 SER 4.15 -3.09 1
37 GLU -0.91 -2.75 1
38 ILE 4.33 -3.38 1
40 TRP -4.07 0.23 1
41 TRP -6.92 0.02 1
42 ARG -1.20 -1.62 1
43 VAL -7.20 1.19 1
44 GLN -7.92 3.05 1
45 ASP -3.57 -0.71 1
46 LYS 3.77 -4.23 1
47 ASN -0.90 -1.80 1
49 HIS 0.64 -2.16 1
50 GLU -7.39 2.15 1
52 TYR -1.15 -0.23 1
53 ALA -4.20 0.71 1
55 SER 5.56 -6.35 1
56 SER 2.84 -3.53 1
57 TYR 0.46 -3.20 1
58 LEU -6.21 2.36 1
59 VAL -5.64 0.29 1
60 GLU 0.97 -2.29 1
61 LYS -0.27 -1.71 1
62 SER -0.09 -2.63 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16809_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.47
_LACS_plot.Line_1_terminator_val_y_1 0.99
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.30
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.12
_LACS_plot.Line_2_terminator_val_x_2 5.55
_LACS_plot.Line_2_terminator_val_y_2 -0.58
_LACS_plot.Y_axis_chem_shift_offset 0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
12 TYR -8.47 -0.01 0
55 SER 5.56 -1.86 0
10 ALA -2.06 0.66 1
11 LEU -1.13 -0.45 1
13 ASP -0.32 -0.16 1
14 TYR -2.95 0.27 1
15 GLN -1.49 0.02 1
16 THR -1.15 -0.11 1
17 ASN -1.91 0.06 1
18 ASP -2.37 -0.21 1
20 GLN -0.02 0.13 1
21 GLU -5.49 0.99 1
22 LEU -5.20 0.02 1
23 ALA -0.08 -0.02 1
24 LEU -5.07 0.59 1
25 ARG -4.03 0.50 1
27 ASP 4.89 -0.50 1
28 GLU 0.09 -0.17 1
29 GLU -4.85 0.70 1
30 TYR -4.68 -0.15 1
31 TYR -0.53 0.27 1
32 LEU -0.50 -0.02 1
33 LEU 0.41 0.04 1
34 ASP -1.81 0.03 1
35 SER 0.07 -0.21 1
36 SER 4.15 -0.49 1
37 GLU -0.91 0.21 1
38 ILE 4.33 -0.41 1
39 HIS 0.55 -0.58 1
40 TRP -4.07 0.15 1
41 TRP -6.92 0.73 1
42 ARG -1.20 0.08 1
43 VAL -7.20 1.24 1
44 GLN -7.92 1.28 1
45 ASP -3.57 0.33 1
46 LYS 3.77 -0.22 1
47 ASN -0.90 0.06 1
49 HIS 0.64 -0.14 1
50 GLU -7.39 1.33 1
52 TYR -1.15 0.67 1
53 ALA -4.20 0.13 1
56 SER 2.84 -0.48 1
57 TYR 0.46 -0.11 1
58 LEU -6.21 0.90 1
59 VAL -5.64 0.47 1
60 GLU 0.97 -0.05 1
61 LYS -0.27 -0.25 1
62 SER -0.09 -0.11 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16809_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.47
_LACS_plot.Line_1_terminator_val_y_1 -5.13
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.68
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.81
_LACS_plot.Line_2_terminator_val_x_2 5.55
_LACS_plot.Line_2_terminator_val_y_2 -1.30
_LACS_plot.Y_axis_chem_shift_offset 3.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 ASP 4.89 -3.84 0
45 ASP -3.57 -0.79 0
10 ALA -2.06 -1.62 1
11 LEU -1.13 -4.82 1
12 TYR -8.47 -4.84 1
13 ASP -0.32 -3.08 1
14 TYR -2.95 -4.79 1
15 GLN -1.49 -4.80 1
16 THR -1.15 -5.55 1
17 ASN -1.91 -3.32 1
20 GLN -0.02 -1.93 1
21 GLU -5.49 -5.02 1
22 LEU -5.20 -6.72 1
23 ALA -0.08 -2.97 1
24 LEU -5.07 -2.56 1
25 ARG -4.03 -4.83 1
28 GLU 0.09 -5.72 1
29 GLU -4.85 -4.26 1
30 TYR -4.68 -4.35 1
31 TYR -0.53 -2.41 1
32 LEU -0.50 -5.02 1
33 LEU 0.41 -2.74 1
34 ASP -1.81 -3.90 1
35 SER 0.07 -3.22 1
36 SER 4.15 -1.76 1
37 GLU -0.91 -2.70 1
38 ILE 4.33 -0.34 1
39 HIS 0.55 -1.08 1
40 TRP -4.07 -4.90 1
41 TRP -6.92 -4.08 1
42 ARG -1.20 -3.72 1
43 VAL -7.20 -5.86 1
44 GLN -7.92 -3.10 1
46 LYS 3.77 -2.47 1
47 ASN -0.90 -2.74 1
49 HIS 0.64 -2.96 1
50 GLU -7.39 -3.23 1
52 TYR -1.15 -3.29 1
55 SER 5.56 -0.94 1
56 SER 2.84 -1.93 1
57 TYR 0.46 -4.55 1
58 LEU -6.21 -5.34 1
59 VAL -5.64 -4.60 1
60 GLU 0.97 -3.03 1
61 LYS -0.27 -3.20 1
stop_
save_