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 bmr16111_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.89
_LACS_plot.Line_1_terminator_val_y_1 -1.96
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.49
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.87
_LACS_plot.Line_2_terminator_val_x_2 5.60
_LACS_plot.Line_2_terminator_val_y_2 4.83
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 LYS 5.61 0.67 0
10 SER 0.16 0.10 1
11 LYS 0.73 0.76 1
12 THR 0.39 0.69 1
13 TYR 2.74 2.24 1
14 SER -2.96 -1.47 1
16 LYS 1.73 0.71 1
18 ASP -5.89 -1.52 1
19 ASN 5.49 4.87 1
20 LYS 4.52 3.16 1
21 LYS 3.37 3.46 1
23 ASP 2.55 3.93 1
24 LYS 3.46 3.16 1
25 LYS 4.40 3.16 1
27 ILE 3.02 3.60 1
28 GLU 2.65 2.46 1
29 TRP 0.25 0.61 1
30 GLU -0.53 -0.75 1
32 ALA -3.75 -2.21 1
33 GLN 0.87 1.46 1
34 HIS -5.67 -0.62 1
36 ALA -4.68 -0.36 1
38 HIS -4.15 0.31 1
39 LYS -0.52 -0.53 1
40 ARG -1.47 -1.95 1
41 GLU 0.80 0.58 1
42 ALA 1.36 0.10 1
44 LYS -1.34 -0.76 1
45 GLU -2.35 -0.83 1
46 SER -3.21 -1.39 1
48 PHE -2.14 -0.20 1
50 TYR -2.55 -0.58 1
51 PHE -5.36 -1.85 1
52 ASP 1.08 1.00 1
54 SER 1.92 1.48 1
55 LYS -0.72 -0.90 1
56 SER -0.17 -0.04 1
60 ALA -0.14 -0.19 1
61 THR -0.29 0.27 1
63 ALA -0.27 -0.50 1
67 ALA -0.54 -0.28 1
68 ALA -0.34 -0.59 1
72 ALA -0.05 -0.32 1
73 ALA 0.16 -0.10 1
76 SER -0.13 -0.38 1
78 SER 0.19 -0.25 1
81 ALA -0.13 -0.22 1
82 ASP -0.06 -0.16 1
85 SER -2.35 -1.53 1
90 ALA -0.12 -0.20 1
91 ASP 0.35 0.10 1
94 SER -1.69 -1.07 1
97 VAL 0.23 -0.15 1
98 ASP 0.00 -0.16 1
101 SER -0.13 -0.27 1
106 SER -0.15 -0.34 1
107 THR -0.16 -0.49 1
108 HIS 0.75 1.91 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16111_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.89
_LACS_plot.Line_1_terminator_val_y_1 3.93
_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 0.13
_LACS_plot.Line_2_terminator_val_x_2 5.60
_LACS_plot.Line_2_terminator_val_y_2 -0.77
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 LYS 5.61 -4.94 0
10 SER 0.16 -0.06 1
11 LYS 0.73 0.03 1
12 THR 0.39 0.30 1
13 TYR 2.74 -0.50 1
14 SER -2.96 1.49 1
16 LYS 1.73 -1.02 1
18 ASP -5.89 4.37 1
19 ASN 5.49 -0.62 1
20 LYS 4.52 -1.36 1
21 LYS 3.37 0.09 1
23 ASP 2.55 1.38 1
24 LYS 3.46 -0.30 1
25 LYS 4.40 -1.24 1
27 ILE 3.02 0.58 1
28 GLU 2.65 -0.19 1
29 TRP 0.25 0.36 1
30 GLU -0.53 -0.22 1
32 ALA -3.75 1.54 1
33 GLN 0.87 0.59 1
34 HIS -5.67 5.05 1
36 ALA -4.68 4.32 1
38 HIS -4.15 4.46 1
39 LYS -0.52 -0.01 1
40 ARG -1.47 -0.48 1
41 GLU 0.80 -0.22 1
42 ALA 1.36 -1.26 1
44 LYS -1.34 0.58 1
45 GLU -2.35 1.52 1
46 SER -3.21 1.82 1
48 PHE -2.14 1.94 1
50 TYR -2.55 1.97 1
51 PHE -5.36 3.51 1
52 ASP 1.08 -0.08 1
54 SER 1.92 -0.44 1
55 LYS -0.72 -0.18 1
56 SER -0.17 0.13 1
60 ALA -0.14 -0.05 1
61 THR -0.29 0.56 1
63 ALA -0.27 -0.23 1
67 ALA -0.54 0.26 1
68 ALA -0.34 -0.25 1
72 ALA -0.05 -0.27 1
73 ALA 0.16 -0.26 1
76 SER -0.13 -0.25 1
78 SER 0.19 -0.44 1
81 ALA -0.13 -0.09 1
82 ASP -0.06 -0.10 1
85 SER -2.35 0.82 1
90 ALA -0.12 -0.08 1
91 ASP 0.35 -0.25 1
94 SER -1.69 0.62 1
97 VAL 0.23 -0.38 1
98 ASP 0.00 -0.16 1
101 SER -0.13 -0.14 1
106 SER -0.15 -0.19 1
107 THR -0.16 -0.33 1
108 HIS 0.75 1.16 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16111_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.89
_LACS_plot.Line_1_terminator_val_y_1 0.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.08
_LACS_plot.Line_2_terminator_val_x_2 5.60
_LACS_plot.Line_2_terminator_val_y_2 -0.35
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
13 TYR 2.74 -0.77 0
10 SER 0.16 0.13 1
11 LYS 0.73 0.06 1
12 THR 0.39 0.00 1
14 SER -2.96 0.20 1
16 LYS 1.73 -0.16 1
18 ASP -5.89 0.29 1
19 ASN 5.49 -0.49 1
20 LYS 4.52 -0.10 1
21 LYS 3.37 -0.21 1
23 ASP 2.55 -0.62 1
24 LYS 3.46 -0.33 1
25 LYS 4.40 -0.16 1
27 ILE 3.02 -0.32 1
28 GLU 2.65 -0.28 1
29 TRP 0.25 0.21 1
30 GLU -0.53 0.48 1
31 LYS 5.61 -0.10 1
32 ALA -3.75 -0.18 1
33 GLN 0.87 -0.18 1
34 HIS -5.67 0.30 1
36 ALA -4.68 0.06 1
38 HIS -4.15 0.35 1
39 LYS -0.52 0.40 1
40 ARG -1.47 0.25 1
41 GLU 0.80 -0.14 1
42 ALA 1.36 -0.13 1
44 LYS -1.34 0.13 1
45 GLU -2.35 0.44 1
46 SER -3.21 0.26 1
48 PHE -2.14 -0.10 1
50 TYR -2.55 0.59 1
51 PHE -5.36 0.26 1
52 ASP 1.08 0.15 1
54 SER 1.92 -0.09 1
55 LYS -0.72 0.21 1
56 SER -0.17 -0.24 1
60 ALA -0.14 -0.04 1
61 THR -0.29 -0.17 1
63 ALA -0.27 -0.11 1
67 ALA -0.54 -0.12 1
68 ALA -0.34 -0.35 1
72 ALA -0.05 -0.04 1
73 ALA 0.16 -0.04 1
76 SER -0.13 0.01 1
78 SER 0.19 -0.06 1
81 ALA -0.13 -0.04 1
82 ASP -0.06 -0.04 1
85 SER -2.35 -0.19 1
90 ALA -0.12 -0.05 1
91 ASP 0.35 -0.17 1
94 SER -1.69 -0.15 1
97 VAL 0.23 -0.02 1
98 ASP 0.00 -0.03 1
101 SER -0.13 -0.01 1
106 SER -0.15 0.03 1
107 THR -0.16 0.00 1
108 HIS 0.75 -0.25 1
stop_
save_