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 bmr5622_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.01
_LACS_plot.Line_1_terminator_val_y_1 -2.43
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.59
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.74
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 4.46
_LACS_plot.Y_axis_chem_shift_offset -0.53
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
12 THR 2.57 -3.36 0
10 SER -1.57 0.38 1
15 TYR -0.43 1.68 1
18 MET 4.38 3.87 1
19 ALA 3.38 2.39 1
20 ILE 4.81 2.75 1
21 GLU 3.85 3.31 1
22 VAL 4.49 3.36 1
23 VAL 6.53 4.56 1
24 ASP 5.19 3.44 1
25 GLU 4.40 3.28 1
26 ALA 4.82 2.51 1
27 LYS 3.75 2.15 1
28 LYS 4.04 3.24 1
29 GLU 1.45 1.69 1
30 PHE 0.55 1.69 1
32 ASP 2.21 1.09 1
33 LYS 1.49 1.78 1
34 ILE -5.54 -2.83 1
35 ASP -4.32 -1.30 1
36 VAL -1.94 -0.88 1
37 GLU -4.42 -1.84 1
38 LYS -0.41 -0.78 1
39 ILE -2.34 -0.20 1
40 ASP -2.79 -2.09 1
41 ILE 3.15 2.50 1
42 MET 2.53 0.21 1
43 VAL 0.94 1.55 1
44 ASP -1.45 -0.94 1
45 ARG 0.98 1.15 1
46 GLU 4.65 3.97 1
47 LYS 3.16 1.97 1
48 ALA 3.96 2.69 1
49 ILE 4.07 3.18 1
50 GLU 3.47 2.84 1
51 TYR -0.73 -1.10 1
53 LEU 0.16 0.40 1
54 MET 4.31 4.21 1
55 ALA -3.82 -1.01 1
56 VAL -3.12 -1.85 1
58 ALA -6.01 -1.24 1
59 ILE -4.75 -0.91 1
60 ALA -5.17 -2.49 1
61 ILE -2.20 -1.11 1
62 ASN 2.66 0.82 1
64 VAL -3.68 -1.53 1
65 VAL 5.64 3.40 1
66 ARG -3.67 -2.04 1
67 PHE -3.97 -0.88 1
68 VAL 1.32 0.67 1
70 ALA -5.13 -0.56 1
72 SER -2.58 -1.25 1
73 ARG 4.94 3.84 1
74 GLU 5.11 4.02 1
75 GLU 2.17 2.29 1
76 LEU 4.33 2.81 1
77 PHE 5.74 2.79 1
78 GLU 3.59 3.15 1
79 ALA 3.17 2.39 1
80 ILE 6.00 5.13 1
81 ASN 3.92 3.81 1
82 ASP -4.16 -2.47 1
83 GLU 0.69 3.33 1
84 MET 4.64 1.62 1
85 GLU -4.60 -0.59 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5622_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.01
_LACS_plot.Line_1_terminator_val_y_1 3.58
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.41
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.26
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 -2.07
_LACS_plot.Y_axis_chem_shift_offset -0.53
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
12 THR 2.57 -5.93 0
10 SER -1.57 1.95 1
15 TYR -0.43 2.11 1
18 MET 4.38 -0.51 1
19 ALA 3.38 -0.99 1
20 ILE 4.81 -2.06 1
21 GLU 3.85 -0.54 1
22 VAL 4.49 -1.13 1
23 VAL 6.53 -1.97 1
24 ASP 5.19 -1.75 1
25 GLU 4.40 -1.12 1
26 ALA 4.82 -2.31 1
27 LYS 3.75 -1.60 1
28 LYS 4.04 -0.80 1
29 GLU 1.45 0.24 1
30 PHE 0.55 1.14 1
32 ASP 2.21 -1.12 1
33 LYS 1.49 0.29 1
34 ILE -5.54 2.71 1
35 ASP -4.32 3.02 1
36 VAL -1.94 1.06 1
37 GLU -4.42 2.58 1
38 LYS -0.41 -0.37 1
39 ILE -2.34 2.14 1
40 ASP -2.79 0.70 1
41 ILE 3.15 -0.65 1
42 MET 2.53 -2.32 1
43 VAL 0.94 0.61 1
44 ASP -1.45 0.51 1
45 ARG 0.98 0.17 1
46 GLU 4.65 -0.68 1
47 LYS 3.16 -1.19 1
48 ALA 3.96 -1.27 1
49 ILE 4.07 -0.89 1
50 GLU 3.47 -0.63 1
51 TYR -0.73 -0.37 1
53 LEU 0.16 0.24 1
54 MET 4.31 -0.10 1
55 ALA -3.82 2.81 1
56 VAL -3.12 1.27 1
58 ALA -6.01 4.77 1
59 ILE -4.75 3.84 1
60 ALA -5.17 2.68 1
61 ILE -2.20 1.09 1
62 ASN 2.66 -1.84 1
64 VAL -3.68 2.15 1
65 VAL 5.64 -2.24 1
66 ARG -3.67 1.63 1
67 PHE -3.97 3.09 1
68 VAL 1.32 -0.65 1
70 ALA -5.13 4.57 1
72 SER -2.58 1.33 1
73 ARG 4.94 -1.10 1
74 GLU 5.11 -1.09 1
75 GLU 2.17 0.12 1
76 LEU 4.33 -1.52 1
77 PHE 5.74 -2.95 1
78 GLU 3.59 -0.44 1
79 ALA 3.17 -0.78 1
80 ILE 6.00 -0.87 1
81 ASN 3.92 -0.11 1
82 ASP -4.16 1.69 1
83 GLU 0.69 2.64 1
84 MET 4.64 -3.02 1
85 GLU -4.60 4.01 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5622_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.01
_LACS_plot.Line_1_terminator_val_y_1 0.48
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.12
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.14
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 -0.43
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
34 ILE -5.54 1.17 0
59 ILE -4.75 1.27 0
10 SER -1.57 0.34 1
12 THR 2.57 0.06 1
15 TYR -0.43 0.44 1
18 MET 4.38 -0.19 1
19 ALA 3.38 -0.22 1
20 ILE 4.81 -0.68 1
21 GLU 3.85 -0.23 1
22 VAL 4.49 -0.09 1
23 VAL 6.53 -0.41 1
24 ASP 5.19 -0.12 1
25 GLU 4.40 -0.20 1
26 ALA 4.82 -0.22 1
27 LYS 3.75 -0.23 1
28 LYS 4.04 -0.30 1
29 GLU 1.45 -0.34 1
30 PHE 0.55 -0.24 1
32 ASP 2.21 -0.13 1
33 LYS 1.49 -0.04 1
35 ASP -4.32 0.31 1
36 VAL -1.94 0.64 1
37 GLU -4.42 0.25 1
38 LYS -0.41 0.47 1
39 ILE -2.34 -0.03 1
40 ASP -2.79 0.35 1
41 ILE 3.15 -0.31 1
42 MET 2.53 0.09 1
43 VAL 0.94 -0.07 1
44 ASP -1.45 0.33 1
45 ARG 0.98 0.00 1
46 GLU 4.65 -0.41 1
47 LYS 3.16 -0.33 1
48 ALA 3.96 -0.70 1
49 ILE 4.07 -0.37 1
50 GLU 3.47 -0.42 1
51 TYR -0.73 0.06 1
53 LEU 0.16 -0.33 1
54 MET 4.31 0.11 1
55 ALA -3.82 0.23 1
56 VAL -3.12 -0.01 1
58 ALA -6.01 1.07 1
60 ALA -5.17 1.09 1
61 ILE -2.20 -0.08 1
62 ASN 2.66 -0.11 1
64 VAL -3.68 0.00 1
65 VAL 5.64 0.19 1
66 ARG -3.67 0.00 1
67 PHE -3.97 0.42 1
68 VAL 1.32 0.37 1
70 ALA -5.13 -0.14 1
72 SER -2.58 -0.11 1
73 ARG 4.94 -0.89 1
74 GLU 5.11 -0.60 1
75 GLU 2.17 -0.22 1
76 LEU 4.33 -0.21 1
77 PHE 5.74 -0.28 1
78 GLU 3.59 -0.16 1
79 ALA 3.17 -0.01 1
80 ILE 6.00 -0.89 1
81 ASN 3.92 -0.37 1
82 ASP -4.16 -0.23 1
83 GLU 0.69 0.15 1
84 MET 4.64 -0.43 1
85 GLU -4.60 0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5622_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.01
_LACS_plot.Line_1_terminator_val_y_1 -1.84
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.64
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.58
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 2.00
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
40 ASP -2.79 2.39 0
34 ILE -5.54 0.47 0
61 ILE -2.20 -4.43 0
12 THR 2.57 2.40 1
15 TYR -0.43 1.99 1
18 MET 4.38 2.15 1
19 ALA 3.38 0.08 1
20 ILE 4.81 3.02 1
21 GLU 3.85 2.91 1
22 VAL 4.49 1.50 1
23 VAL 6.53 1.58 1
24 ASP 5.19 4.31 1
25 GLU 4.40 3.33 1
26 ALA 4.82 1.20 1
27 LYS 3.75 -1.22 1
28 LYS 4.04 1.27 1
29 GLU 1.45 1.12 1
30 PHE 0.55 -2.22 1
32 ASP 2.21 0.43 1
33 LYS 1.49 -0.04 1
35 ASP -4.32 -1.87 1
36 VAL -1.94 -1.32 1
37 GLU -4.42 -2.47 1
38 LYS -0.41 -1.03 1
39 ILE -2.34 -2.64 1
41 ILE 3.15 0.28 1
42 MET 2.53 1.52 1
43 VAL 0.94 -0.29 1
44 ASP -1.45 -1.17 1
45 ARG 0.98 1.78 1
46 GLU 4.65 2.63 1
47 LYS 3.16 1.10 1
48 ALA 3.96 2.15 1
49 ILE 4.07 -1.27 1
50 GLU 3.47 2.23 1
51 TYR -0.73 0.78 1
53 LEU 0.16 -0.76 1
54 MET 4.31 -1.43 1
55 ALA -3.82 -3.42 1
58 ALA -6.01 -1.97 1
59 ILE -4.75 -0.29 1
60 ALA -5.17 -1.93 1
62 ASN 2.66 -2.42 1
64 VAL -3.68 -0.15 1
65 VAL 5.64 -1.15 1
66 ARG -3.67 -1.28 1
67 PHE -3.97 -0.83 1
68 VAL 1.32 -0.10 1
72 SER -2.58 0.38 1
73 ARG 4.94 0.76 1
74 GLU 5.11 2.97 1
75 GLU 2.17 3.23 1
76 LEU 4.33 -0.01 1
77 PHE 5.74 2.94 1
78 GLU 3.59 1.18 1
79 ALA 3.17 2.54 1
80 ILE 6.00 1.16 1
81 ASN 3.92 2.03 1
82 ASP -4.16 0.28 1
83 GLU 0.69 -2.35 1
84 MET 4.64 0.55 1
stop_
save_