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 bmr6002_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.51
_LACS_plot.Line_1_terminator_val_y_1 -2.60
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.92
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.72
_LACS_plot.Line_2_terminator_val_x_2 6.54
_LACS_plot.Line_2_terminator_val_y_2 4.90
_LACS_plot.Y_axis_chem_shift_offset 0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
49 LYS 5.64 0.39 0
10 ILE 4.68 3.03 1
11 VAL 5.47 4.23 1
12 SER 4.43 2.65 1
13 PHE 2.20 2.16 1
14 LEU 3.84 1.70 1
15 ALA 4.03 2.44 1
16 ARG 3.90 2.66 1
17 LEU -1.85 -1.15 1
20 SER 6.54 4.80 1
21 SER 3.94 2.16 1
23 LEU 4.56 4.26 1
24 ASP 3.96 2.64 1
25 TYR 4.20 2.99 1
26 PHE 4.07 2.96 1
27 THR 6.20 4.33 1
28 THR 3.82 3.17 1
29 GLN -0.79 -1.88 1
31 LEU -0.87 -1.63 1
32 THR -1.42 -0.14 1
33 THR -4.91 -2.19 1
34 ILE 1.46 0.49 1
35 TYR 3.21 1.62 1
36 GLN -0.03 1.91 1
37 ILE -1.54 -1.31 1
38 GLU 2.63 2.02 1
39 HIS -0.32 0.32 1
40 TYR 0.43 -0.67 1
41 SER -5.51 -2.50 1
42 MET 4.98 2.95 1
43 ASP 3.73 2.69 1
44 ASP 4.02 3.03 1
45 LEU 3.65 2.25 1
46 ALA 4.45 2.82 1
47 SER 4.29 2.91 1
48 LEU -0.78 -0.34 1
50 ILE -0.02 -0.74 1
52 GLU 4.45 4.22 1
53 GLN 4.54 2.39 1
54 PHE -2.01 -0.03 1
55 ARG 5.79 5.55 1
56 HIS 5.18 5.67 1
57 ALA 3.27 2.35 1
58 ILE 4.78 4.24 1
59 TRP 3.89 3.52 1
60 LYS 4.32 2.56 1
62 ILE 6.28 5.19 1
63 LEU 4.44 2.90 1
64 ASP 3.65 2.69 1
65 HIS 4.00 4.91 1
66 ARG 3.27 2.90 1
67 GLN 2.81 1.83 1
68 LEU 1.45 1.07 1
69 HIS 0.79 1.11 1
70 GLU 0.61 0.40 1
71 PHE 0.37 -0.09 1
72 ALA -0.35 -0.34 1
73 ALA -0.47 -0.40 1
74 ALA -0.37 -0.29 1
75 SER 0.42 1.37 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6002_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.51
_LACS_plot.Line_1_terminator_val_y_1 2.91
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.08
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.28
_LACS_plot.Line_2_terminator_val_x_2 6.54
_LACS_plot.Line_2_terminator_val_y_2 -1.64
_LACS_plot.Y_axis_chem_shift_offset 0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
49 LYS 5.64 -5.25 0
10 ILE 4.68 -1.65 1
11 VAL 5.47 -1.24 1
12 SER 4.43 -1.78 1
13 PHE 2.20 -0.04 1
14 LEU 3.84 -2.14 1
15 ALA 4.03 -1.59 1
16 ARG 3.90 -1.24 1
17 LEU -1.85 0.70 1
20 SER 6.54 -1.74 1
21 SER 3.94 -1.78 1
23 LEU 4.56 -0.30 1
24 ASP 3.96 -1.32 1
25 TYR 4.20 -1.21 1
26 PHE 4.07 -1.11 1
27 THR 6.20 -1.87 1
28 THR 3.82 -0.65 1
29 GLN -0.79 -1.09 1
31 LEU -0.87 -0.76 1
32 THR -1.42 1.28 1
33 THR -4.91 2.72 1
34 ILE 1.46 -0.97 1
35 TYR 3.21 -1.59 1
36 GLN -0.03 1.94 1
37 ILE -1.54 0.23 1
38 GLU 2.63 -0.61 1
39 HIS -0.32 0.64 1
40 TYR 0.43 -1.10 1
41 SER -5.51 3.01 1
42 MET 4.98 -2.03 1
43 ASP 3.73 -1.04 1
44 ASP 4.02 -0.99 1
45 LEU 3.65 -1.40 1
46 ALA 4.45 -1.63 1
47 SER 4.29 -1.38 1
48 LEU -0.78 0.44 1
50 ILE -0.02 -0.72 1
52 GLU 4.45 -0.23 1
53 GLN 4.54 -2.15 1
54 PHE -2.01 1.98 1
55 ARG 5.79 -0.24 1
56 HIS 5.18 0.49 1
57 ALA 3.27 -0.92 1
58 ILE 4.78 -0.54 1
59 TRP 3.89 -0.37 1
60 LYS 4.32 -1.76 1
62 ILE 6.28 -1.09 1
63 LEU 4.44 -1.54 1
64 ASP 3.65 -0.96 1
65 HIS 4.00 0.91 1
66 ARG 3.27 -0.37 1
67 GLN 2.81 -0.98 1
68 LEU 1.45 -0.38 1
69 HIS 0.79 0.32 1
70 GLU 0.61 -0.21 1
71 PHE 0.37 -0.46 1
72 ALA -0.35 0.01 1
73 ALA -0.47 0.07 1
74 ALA -0.37 0.08 1
75 SER 0.42 0.95 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6002_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.51
_LACS_plot.Line_1_terminator_val_y_1 0.58
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.24
_LACS_plot.Line_2_terminator_val_x_2 6.54
_LACS_plot.Line_2_terminator_val_y_2 -0.57
_LACS_plot.Y_axis_chem_shift_offset -0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ILE -0.02 -1.33 0
10 ILE 4.68 -0.58 1
11 VAL 5.47 -0.45 1
12 SER 4.43 -0.22 1
13 PHE 2.20 -0.37 1
14 LEU 3.84 -0.78 1
15 ALA 4.03 -0.11 1
16 ARG 3.90 -0.22 1
17 LEU -1.85 0.00 1
20 SER 6.54 0.39 1
21 SER 3.94 -0.11 1
23 LEU 4.56 -0.26 1
24 ASP 3.96 0.00 1
25 TYR 4.20 -0.37 1
26 PHE 4.07 -0.10 1
27 THR 6.20 -0.39 1
28 THR 3.82 -0.13 1
29 GLN -0.79 0.32 1
31 LEU -0.87 0.27 1
32 THR -1.42 0.23 1
33 THR -4.91 0.86 1
34 ILE 1.46 -0.88 1
35 TYR 3.21 -0.35 1
36 GLN -0.03 -0.11 1
37 ILE -1.54 -0.15 1
38 GLU 2.63 -0.49 1
39 HIS -0.32 0.20 1
40 TYR 0.43 0.25 1
41 SER -5.51 0.60 1
42 MET 4.98 -0.58 1
43 ASP 3.73 -0.27 1
44 ASP 4.02 -0.43 1
45 LEU 3.65 -0.21 1
46 ALA 4.45 -0.35 1
47 SER 4.29 -0.18 1
48 LEU -0.78 -0.05 1
49 LYS 5.64 -0.67 1
52 GLU 4.45 -0.74 1
53 GLN 4.54 -0.17 1
54 PHE -2.01 0.40 1
55 ARG 5.79 -0.52 1
56 HIS 5.18 -0.21 1
57 ALA 3.27 -0.09 1
58 ILE 4.78 -0.41 1
59 TRP 3.89 -0.17 1
60 LYS 4.32 -0.70 1
62 ILE 6.28 -0.58 1
63 LEU 4.44 -0.57 1
64 ASP 3.65 -0.20 1
65 HIS 4.00 -0.42 1
66 ARG 3.27 -0.39 1
67 GLN 2.81 -0.19 1
68 LEU 1.45 -0.16 1
69 HIS 0.79 -0.16 1
70 GLU 0.61 -0.12 1
71 PHE 0.37 0.03 1
72 ALA -0.35 0.04 1
73 ALA -0.47 0.06 1
74 ALA -0.37 0.14 1
75 SER 0.42 -0.16 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6002_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.51
_LACS_plot.Line_1_terminator_val_y_1 -0.89
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.00
_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 6.28
_LACS_plot.Line_2_terminator_val_y_2 2.14
_LACS_plot.Y_axis_chem_shift_offset -0.49
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
41 SER -5.51 1.52 0
10 ILE 4.68 0.70 1
11 VAL 5.47 1.80 1
12 SER 4.43 1.40 1
13 PHE 2.20 0.40 1
14 LEU 3.84 2.35 1
15 ALA 4.03 3.80 1
16 ARG 3.90 1.30 1
17 LEU -1.85 -0.20 1
21 SER 3.94 1.14 1
23 LEU 4.56 0.96 1
24 ASP 3.96 1.88 1
25 TYR 4.20 1.23 1
26 PHE 4.07 3.10 1
27 THR 6.20 4.83 1
28 THR 3.82 0.49 1
29 GLN -0.79 -0.18 1
31 LEU -0.87 -2.72 1
32 THR -1.42 1.84 1
33 THR -4.91 -0.16 1
34 ILE 1.46 -0.15 1
35 TYR 3.21 2.00 1
36 GLN -0.03 1.08 1
37 ILE -1.54 0.22 1
38 GLU 2.63 -1.33 1
39 HIS -0.32 1.66 1
40 TYR 0.43 0.00 1
42 MET 4.98 2.47 1
43 ASP 3.73 2.60 1
44 ASP 4.02 2.74 1
45 LEU 3.65 1.13 1
46 ALA 4.45 4.28 1
47 SER 4.29 0.64 1
48 LEU -0.78 -1.69 1
49 LYS 5.64 -1.73 1
50 ILE -0.02 -0.34 1
52 GLU 4.45 1.03 1
53 GLN 4.54 0.47 1
54 PHE -2.01 0.24 1
55 ARG 5.79 0.68 1
56 HIS 5.18 3.13 1
57 ALA 3.27 3.15 1
58 ILE 4.78 0.56 1
59 TRP 3.89 1.02 1
60 LYS 4.32 1.97 1
62 ILE 6.28 1.26 1
63 LEU 4.44 2.60 1
64 ASP 3.65 2.25 1
65 HIS 4.00 3.21 1
66 ARG 3.27 2.02 1
67 GLN 2.81 1.26 1
68 LEU 1.45 0.31 1
69 HIS 0.79 1.09 1
70 GLU 0.61 -0.09 1
71 PHE 0.37 -0.11 1
72 ALA -0.35 -0.72 1
73 ALA -0.47 -0.52 1
74 ALA -0.37 -1.00 1
75 SER 0.42 3.96 1
stop_
save_