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 bmr7285_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 -1.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.83
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.97
_LACS_plot.Line_2_terminator_val_x_2 5.07
_LACS_plot.Line_2_terminator_val_y_2 3.29
_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
86 ILE 1.27 -2.12 0
10 TYR -4.88 -0.79 1
11 ASN -1.68 -0.75 1
14 ASN 0.69 0.95 1
15 ASN 2.84 1.76 1
17 SER 3.87 3.02 1
18 SER -1.13 -0.99 1
19 THR 1.96 1.58 1
20 LYS 0.67 0.42 1
21 VAL 2.84 1.42 1
22 GLU -1.33 0.25 1
23 TYR -2.79 -0.20 1
24 THR -1.88 -0.26 1
25 ASP -2.73 -1.79 1
26 ALA 2.55 1.99 1
27 SER 2.06 1.83 1
29 GLN -3.44 -0.71 1
30 TRP -3.52 -0.87 1
32 VAL -2.31 -0.94 1
33 GLN -4.32 -1.15 1
34 ASN 2.67 1.14 1
36 GLN -5.43 -2.29 1
37 TRP -0.46 0.24 1
40 ILE 3.62 1.63 1
41 ASP -5.72 -1.82 1
42 TYR 5.07 3.69 1
43 SER 0.71 0.99 1
44 TYR -0.25 0.84 1
46 GLN -0.03 0.10 1
47 ASN 0.26 0.33 1
48 GLN 0.34 0.42 1
50 ASN 0.34 0.41 1
51 GLU -1.22 -0.47 1
52 SER -0.52 -0.25 1
54 THR 3.32 2.31 1
56 ASN 2.47 1.62 1
58 SER 2.54 2.24 1
59 TYR -1.90 0.08 1
63 ASN 2.48 2.67 1
64 THR 0.88 -0.08 1
66 GLN 0.19 -0.73 1
67 ALA -1.23 0.19 1
68 THR 0.09 0.08 1
69 TYR -2.92 0.58 1
70 THR -2.87 -0.48 1
71 ASP -2.30 -1.80 1
73 ASP 0.50 1.30 1
75 ASP -1.73 -0.44 1
76 TRP -6.19 -1.12 1
77 ALA -3.38 -0.53 1
78 PHE -2.04 -0.53 1
79 GLU -6.52 -1.56 1
80 ASN 2.65 0.97 1
82 ASN -5.50 -1.66 1
83 TRP -0.10 0.63 1
87 LYS 1.33 1.55 1
88 ASN 4.42 3.03 1
89 SER 2.96 1.39 1
91 LYS 0.48 0.21 1
92 GLN -0.25 -0.18 1
93 GLN 0.15 0.07 1
95 GLN -0.12 0.15 1
96 ASN 1.27 1.20 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7285_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 4.75
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.03
_LACS_plot.Line_2_terminator_val_x_2 5.07
_LACS_plot.Line_2_terminator_val_y_2 -1.78
_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
86 ILE 1.27 -3.39 0
10 TYR -4.88 4.09 1
11 ASN -1.68 0.93 1
14 ASN 0.69 0.26 1
15 ASN 2.84 -1.08 1
17 SER 3.87 -0.85 1
18 SER -1.13 0.14 1
19 THR 1.96 -0.38 1
20 LYS 0.67 -0.25 1
21 VAL 2.84 -1.42 1
22 GLU -1.33 1.58 1
23 TYR -2.79 2.59 1
24 THR -1.88 1.62 1
25 ASP -2.73 0.94 1
26 ALA 2.55 -0.56 1
27 SER 2.06 -0.23 1
29 GLN -3.44 2.73 1
30 TRP -3.52 2.65 1
32 VAL -2.31 1.37 1
33 GLN -4.32 3.17 1
34 ASN 2.67 -1.53 1
36 GLN -5.43 3.14 1
37 TRP -0.46 0.70 1
40 ILE 3.62 -1.99 1
41 ASP -5.72 3.90 1
42 TYR 5.07 -1.38 1
43 SER 0.71 0.28 1
44 TYR -0.25 1.09 1
46 GLN -0.03 0.13 1
47 ASN 0.26 0.07 1
48 GLN 0.34 0.08 1
50 ASN 0.34 0.07 1
51 GLU -1.22 0.75 1
52 SER -0.52 0.27 1
54 THR 3.32 -1.01 1
56 ASN 2.47 -0.85 1
58 SER 2.54 -0.30 1
59 TYR -1.90 1.98 1
63 ASN 2.48 0.19 1
64 THR 0.88 -0.96 1
66 GLN 0.19 -0.92 1
67 ALA -1.23 1.42 1
68 THR 0.09 -0.01 1
69 TYR -2.92 3.50 1
70 THR -2.87 2.39 1
71 ASP -2.30 0.50 1
73 ASP 0.50 0.80 1
75 ASP -1.73 1.29 1
76 TRP -6.19 5.07 1
77 ALA -3.38 2.85 1
78 PHE -2.04 1.51 1
79 GLU -6.52 4.96 1
80 ASN 2.65 -1.68 1
82 ASN -5.50 3.84 1
83 TRP -0.10 0.73 1
87 LYS 1.33 0.22 1
88 ASN 4.42 -1.39 1
89 SER 2.96 -1.57 1
91 LYS 0.48 -0.27 1
92 GLN -0.25 0.07 1
93 GLN 0.15 -0.08 1
95 GLN -0.12 0.27 1
96 ASN 1.27 -0.07 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7285_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 0.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.19
_LACS_plot.Line_2_terminator_val_x_2 5.07
_LACS_plot.Line_2_terminator_val_y_2 -0.50
_LACS_plot.Y_axis_chem_shift_offset 0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
79 GLU -6.52 0.09 0
82 ASN -5.50 -0.12 0
10 TYR -4.88 0.19 1
11 ASN -1.68 -0.06 1
14 ASN 0.69 -0.12 1
15 ASN 2.84 -0.42 1
17 SER 3.87 -0.09 1
18 SER -1.13 0.27 1
19 THR 1.96 -0.20 1
20 LYS 0.67 -0.22 1
21 VAL 2.84 -0.34 1
22 GLU -1.33 0.30 1
23 TYR -2.79 0.23 1
24 THR -1.88 0.70 1
25 ASP -2.73 -0.01 1
26 ALA 2.55 -0.33 1
27 SER 2.06 -0.38 1
29 GLN -3.44 0.50 1
30 TRP -3.52 0.67 1
32 VAL -2.31 0.46 1
33 GLN -4.32 0.23 1
34 ASN 2.67 -0.45 1
36 GLN -5.43 0.32 1
37 TRP -0.46 0.52 1
40 ILE 3.62 -0.81 1
41 ASP -5.72 0.54 1
42 TYR 5.07 -0.44 1
43 SER 0.71 0.07 1
44 TYR -0.25 -0.01 1
46 GLN -0.03 -0.11 1
47 ASN 0.26 -0.06 1
48 GLN 0.34 -0.04 1
50 ASN 0.34 0.05 1
51 GLU -1.22 0.09 1
52 SER -0.52 0.09 1
54 THR 3.32 -0.72 1
56 ASN 2.47 -0.05 1
58 SER 2.54 -0.24 1
59 TYR -1.90 0.01 1
63 ASN 2.48 -0.12 1
64 THR 0.88 -0.12 1
66 GLN 0.19 -0.01 1
67 ALA -1.23 -0.09 1
68 THR 0.09 0.29 1
69 TYR -2.92 0.28 1
70 THR -2.87 0.82 1
71 ASP -2.30 -0.08 1
73 ASP 0.50 0.10 1
75 ASP -1.73 0.56 1
76 TRP -6.19 0.78 1
77 ALA -3.38 0.92 1
78 PHE -2.04 0.10 1
80 ASN 2.65 -0.54 1
83 TRP -0.10 0.24 1
86 ILE 1.27 -0.15 1
87 LYS 1.33 -0.05 1
88 ASN 4.42 -0.39 1
89 SER 2.96 -0.26 1
91 LYS 0.48 0.01 1
92 GLN -0.25 -0.04 1
93 GLN 0.15 -0.10 1
95 GLN -0.12 -0.07 1
96 ASN 1.27 -0.07 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr7285_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.52
_LACS_plot.Line_1_terminator_val_y_1 -1.59
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.08
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.80
_LACS_plot.Line_2_terminator_val_x_2 5.07
_LACS_plot.Line_2_terminator_val_y_2 0.82
_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
41 ASP -5.72 1.50 0
10 TYR -4.88 -2.00 1
11 ASN -1.68 1.00 1
14 ASN 0.69 0.10 1
15 ASN 2.84 0.80 1
17 SER 3.87 0.00 1
18 SER -1.13 -0.50 1
19 THR 1.96 -1.70 1
20 LYS 0.67 -0.30 1
21 VAL 2.84 0.50 1
22 GLU -1.33 0.10 1
23 TYR -2.79 -3.70 1
24 THR -1.88 -2.30 1
25 ASP -2.73 0.10 1
26 ALA 2.55 1.60 1
27 SER 2.06 -1.90 1
29 GLN -3.44 -1.10 1
30 TRP -3.52 0.20 1
32 VAL -2.31 -0.40 1
33 GLN -4.32 -0.10 1
34 ASN 2.67 0.30 1
36 GLN -5.43 -1.40 1
37 TRP -0.46 -0.30 1
40 ILE 3.62 -2.50 1
42 TYR 5.07 0.70 1
43 SER 0.71 -0.50 1
44 TYR -0.25 -0.10 1
46 GLN -0.03 -0.20 1
47 ASN 0.26 0.00 1
48 GLN 0.34 0.50 1
50 ASN 0.34 -0.50 1
51 GLU -1.22 -0.60 1
52 SER -0.52 -0.50 1
54 THR 3.32 -1.00 1
56 ASN 2.47 -0.30 1
58 SER 2.54 -0.40 1
59 TYR -1.90 -1.50 1
63 ASN 2.48 1.70 1
64 THR 0.88 -1.90 1
66 GLN 0.19 -2.60 1
67 ALA -1.23 1.00 1
68 THR 0.09 1.90 1
69 TYR -2.92 -3.40 1
70 THR -2.87 -2.40 1
71 ASP -2.30 1.10 1
73 ASP 0.50 -0.80 1
75 ASP -1.73 -3.40 1
76 TRP -6.19 -0.80 1
77 ALA -3.38 -4.30 1
78 PHE -2.04 -1.40 1
79 GLU -6.52 -1.20 1
80 ASN 2.65 0.30 1
82 ASN -5.50 -2.30 1
83 TRP -0.10 -0.30 1
86 ILE 1.27 1.50 1
87 LYS 1.33 1.80 1
88 ASN 4.42 2.40 1
89 SER 2.96 1.50 1
91 LYS 0.48 -0.40 1
92 GLN -0.25 -0.40 1
93 GLN 0.15 -0.40 1
95 GLN -0.12 -0.30 1
96 ASN 1.27 -0.30 1
stop_
save_