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 bmr25271_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -9.40
_LACS_plot.Line_1_terminator_val_y_1 -3.40
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.55
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.38
_LACS_plot.Line_2_terminator_val_x_2 4.42
_LACS_plot.Line_2_terminator_val_y_2 3.54
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
94 GLU -9.40 -2.33 0
10 ALA -2.26 -1.16 1
11 VAL 2.38 2.24 1
12 GLU -4.09 -1.58 1
13 ALA 2.12 3.06 1
14 GLU -0.92 -1.25 1
15 ASP 0.19 1.20 1
16 ARG -4.51 -1.24 1
17 VAL -5.40 -3.96 1
18 THR 0.73 0.26 1
19 ILE -6.50 -2.53 1
20 ASP -2.98 -1.51 1
21 PHE -5.95 -1.74 1
22 THR -1.32 0.53 1
24 SER -3.22 -0.76 1
25 VAL -2.43 -0.69 1
26 ASP 2.90 1.53 1
28 GLU -4.02 -1.79 1
29 GLU 0.06 0.43 1
30 PHE -5.22 -3.26 1
31 GLU 2.07 1.53 1
34 LYS -4.57 -1.67 1
35 ALA -4.66 -0.65 1
36 SER -3.51 -1.88 1
37 ASP 3.45 1.98 1
38 PHE -0.48 0.21 1
39 VAL 1.40 -0.10 1
40 LEU -4.24 -2.03 1
41 ALA 1.68 -0.52 1
42 MET 1.06 1.61 1
44 GLN -1.50 -1.42 1
46 ARG 1.93 1.88 1
47 MET -5.06 -3.46 1
48 ILE 0.75 -0.80 1
51 PHE 2.32 3.43 1
52 GLU 4.42 3.68 1
53 ASP 3.85 3.13 1
55 ILE 2.16 2.10 1
56 LYS 3.25 2.63 1
58 HIS -0.62 0.82 1
59 LYS -4.62 -1.42 1
60 ALA 2.45 1.40 1
62 GLU -1.99 0.73 1
63 GLU -4.47 -1.81 1
64 PHE -1.19 -1.79 1
65 THR -2.35 -1.00 1
66 ILE -4.15 -1.60 1
67 ASP -2.24 -0.29 1
68 VAL -5.79 -2.34 1
69 THR -0.95 -0.49 1
70 PHE 2.26 2.43 1
72 GLU 3.19 2.91 1
73 GLU 0.27 -1.11 1
74 TYR -0.10 1.45 1
75 HIS 2.52 3.53 1
76 ALA -1.08 -1.66 1
77 GLU 3.38 3.18 1
78 ASN 3.34 1.37 1
79 LEU -2.03 -0.92 1
80 LYS 2.60 2.13 1
82 LYS -0.48 -0.38 1
83 ALA -0.30 -0.42 1
84 ALA -7.24 -2.05 1
85 LYS -4.62 -1.69 1
86 PHE -3.62 -0.78 1
87 ALA -0.30 -0.58 1
88 ILE -1.80 -2.12 1
89 ASN -2.22 -0.93 1
90 LEU -0.92 -0.47 1
91 LYS 1.71 2.16 1
92 LYS -2.72 0.51 1
93 VAL -1.61 0.05 1
95 GLU -7.93 -3.66 1
96 ARG 0.63 0.10 1
97 GLU -1.28 -0.34 1
98 LEU -1.67 -2.44 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr25271_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -9.40
_LACS_plot.Line_1_terminator_val_y_1 6.00
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.45
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.62
_LACS_plot.Line_2_terminator_val_x_2 4.42
_LACS_plot.Line_2_terminator_val_y_2 -0.88
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
94 GLU -9.40 7.07 0
10 ALA -2.26 1.10 1
11 VAL 2.38 -0.14 1
12 GLU -4.09 2.51 1
13 ALA 2.12 0.94 1
14 GLU -0.92 -0.33 1
15 ASP 0.19 1.01 1
16 ARG -4.51 3.27 1
17 VAL -5.40 1.44 1
18 THR 0.73 -0.47 1
19 ILE -6.50 3.97 1
20 ASP -2.98 1.47 1
21 PHE -5.95 4.21 1
22 THR -1.32 1.85 1
24 SER -3.22 2.46 1
25 VAL -2.43 1.74 1
26 ASP 2.90 -1.37 1
28 GLU -4.02 2.23 1
29 GLU 0.06 0.37 1
30 PHE -5.22 1.96 1
31 GLU 2.07 -0.54 1
34 LYS -4.57 2.90 1
35 ALA -4.66 4.01 1
36 SER -3.51 1.63 1
37 ASP 3.45 -1.47 1
38 PHE -0.48 0.69 1
39 VAL 1.40 -1.50 1
40 LEU -4.24 2.21 1
41 ALA 1.68 -2.20 1
42 MET 1.06 0.55 1
44 GLN -1.50 0.08 1
46 ARG 1.93 -0.05 1
47 MET -5.06 1.60 1
48 ILE 0.75 -1.55 1
51 PHE 2.32 1.11 1
52 GLU 4.42 -0.74 1
53 ASP 3.85 -0.72 1
55 ILE 2.16 -0.06 1
56 LYS 3.25 -0.62 1
58 HIS -0.62 1.44 1
59 LYS -4.62 3.20 1
60 ALA 2.45 -1.05 1
62 GLU -1.99 2.72 1
63 GLU -4.47 2.66 1
64 PHE -1.19 -0.60 1
65 THR -2.35 1.35 1
66 ILE -4.15 2.55 1
67 ASP -2.24 1.95 1
68 VAL -5.79 3.45 1
69 THR -0.95 0.46 1
70 PHE 2.26 0.17 1
72 GLU 3.19 -0.28 1
73 GLU 0.27 -1.38 1
74 TYR -0.10 1.55 1
75 HIS 2.52 1.01 1
76 ALA -1.08 -0.58 1
77 GLU 3.38 -0.20 1
78 ASN 3.34 -1.97 1
79 LEU -2.03 1.11 1
80 LYS 2.60 -0.47 1
82 LYS -0.48 0.10 1
83 ALA -0.30 -0.12 1
84 ALA -7.24 5.19 1
85 LYS -4.62 2.93 1
86 PHE -3.62 2.84 1
87 ALA -0.30 -0.28 1
88 ILE -1.80 -0.32 1
89 ASN -2.22 1.29 1
90 LEU -0.92 0.45 1
91 LYS 1.71 0.45 1
92 LYS -2.72 3.23 1
93 VAL -1.61 1.66 1
95 GLU -7.93 4.27 1
96 ARG 0.63 -0.53 1
97 GLU -1.28 0.94 1
98 LEU -1.67 -0.77 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr25271_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -9.40
_LACS_plot.Line_1_terminator_val_y_1 1.34
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.27
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.30
_LACS_plot.Line_2_terminator_val_x_2 3.84
_LACS_plot.Line_2_terminator_val_y_2 -0.54
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
94 GLU -9.40 0.97 0
10 ALA -2.26 -0.13 1
11 VAL 2.38 -0.27 1
12 GLU -4.09 0.14 1
13 ALA 2.12 -0.47 1
14 GLU -0.92 0.29 1
15 ASP 0.19 0.57 1
16 ARG -4.51 0.87 1
17 VAL -5.40 1.24 1
19 ILE -6.50 1.56 1
20 ASP -2.98 0.69 1
21 PHE -5.95 1.44 1
22 THR -1.32 0.51 1
24 SER -3.22 0.54 1
25 VAL -2.43 0.34 1
26 ASP 2.90 -0.35 1
28 GLU -4.02 0.35 1
29 GLU 0.06 0.08 1
30 PHE -5.22 0.44 1
34 LYS -4.57 0.92 1
35 ALA -4.66 -0.02 1
36 SER -3.51 0.62 1
37 ASP 3.45 -0.86 1
38 PHE -0.48 -0.22 1
39 VAL 1.40 0.35 1
40 LEU -4.24 0.03 1
41 ALA 1.68 -0.06 1
42 MET 1.06 -0.30 1
44 GLN -1.50 0.26 1
46 ARG 1.93 -0.20 1
47 MET -5.06 0.38 1
48 ILE 0.75 0.25 1
53 ASP 3.85 -0.44 1
55 ILE 2.16 -0.32 1
56 LYS 3.25 -0.76 1
58 HIS -0.62 -0.12 1
59 LYS -4.62 0.35 1
60 ALA 2.45 -0.47 1
62 GLU -1.99 0.25 1
63 GLU -4.47 1.02 1
64 PHE -1.19 0.36 1
65 THR -2.35 1.17 1
66 ILE -4.15 0.65 1
67 ASP -2.24 0.80 1
68 VAL -5.79 0.39 1
69 THR -0.95 0.58 1
70 PHE 2.26 -0.80 1
72 GLU 3.19 -0.47 1
73 GLU 0.27 0.15 1
74 TYR -0.10 -0.13 1
75 HIS 2.52 -0.63 1
76 ALA -1.08 0.20 1
77 GLU 3.38 -0.60 1
78 ASN 3.34 -0.32 1
79 LEU -2.03 -0.29 1
80 LYS 2.60 -0.52 1
82 LYS -0.48 0.04 1
83 ALA -0.30 0.48 1
84 ALA -7.24 0.88 1
86 PHE -3.62 0.63 1
87 ALA -0.30 0.35 1
88 ILE -1.80 0.55 1
89 ASN -2.22 0.25 1
90 LEU -0.92 0.35 1
91 LYS 1.71 0.03 1
92 LYS -2.72 0.14 1
93 VAL -1.61 0.48 1
95 GLU -7.93 1.14 1
96 ARG 0.63 -0.60 1
97 GLU -1.28 -0.14 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr25271_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -9.40
_LACS_plot.Line_1_terminator_val_y_1 -2.37
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.33
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.08
_LACS_plot.Line_2_terminator_val_x_2 4.42
_LACS_plot.Line_2_terminator_val_y_2 0.16
_LACS_plot.Y_axis_chem_shift_offset 0.69
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
52 GLU 4.42 2.77 0
10 ALA -2.26 0.31 1
11 VAL 2.38 0.57 1
13 ALA 2.12 -0.56 1
14 GLU -0.92 1.00 1
15 ASP 0.19 -3.18 1
16 ARG -4.51 -0.25 1
17 VAL -5.40 -2.63 1
18 THR 0.73 0.16 1
19 ILE -6.50 -1.86 1
20 ASP -2.98 -0.17 1
21 PHE -5.95 -1.24 1
22 THR -1.32 0.13 1
24 SER -3.22 -1.61 1
25 VAL -2.43 -0.11 1
26 ASP 2.90 -0.42 1
28 GLU -4.02 -0.52 1
29 GLU 0.06 -0.76 1
30 PHE -5.22 -0.33 1
34 LYS -4.57 -1.48 1
35 ALA -4.66 -1.86 1
36 SER -3.51 -1.37 1
37 ASP 3.45 -2.54 1
38 PHE -0.48 -1.40 1
39 VAL 1.40 -1.96 1
40 LEU -4.24 -3.89 1
41 ALA 1.68 -2.08 1
42 MET 1.06 1.34 1
44 GLN -1.50 0.97 1
46 ARG 1.93 -3.01 1
47 MET -5.06 -0.68 1
53 ASP 3.85 1.61 1
55 ILE 2.16 -0.47 1
56 LYS 3.25 -0.13 1
58 HIS -0.62 -2.10 1
59 LYS -4.62 -1.78 1
60 ALA 2.45 0.58 1
62 GLU -1.99 -1.95 1
63 GLU -4.47 -0.74 1
64 PHE -1.19 -3.13 1
65 THR -2.35 -0.05 1
66 ILE -4.15 -2.87 1
67 ASP -2.24 -0.77 1
68 VAL -5.79 -2.47 1
69 THR -0.95 -0.32 1
72 GLU 3.19 0.33 1
73 GLU 0.27 -1.28 1
74 TYR -0.10 -0.72 1
75 HIS 2.52 0.59 1
76 ALA -1.08 -0.65 1
77 GLU 3.38 0.49 1
78 ASN 3.34 -0.72 1
79 LEU -2.03 -3.10 1
80 LYS 2.60 0.56 1
82 LYS -0.48 -0.82 1
83 ALA -0.30 -1.34 1
84 ALA -7.24 -1.40 1
85 LYS -4.62 -0.45 1
86 PHE -3.62 -1.77 1
87 ALA -0.30 -1.08 1
88 ILE -1.80 -1.52 1
89 ASN -2.22 -0.72 1
90 LEU -0.92 -3.34 1
91 LYS 1.71 0.28 1
92 LYS -2.72 -3.60 1
93 VAL -1.61 -2.28 1
94 GLU -9.40 -2.50 1
95 GLU -7.93 -1.65 1
96 ARG 0.63 0.26 1
97 GLU -1.28 -1.21 1
stop_
save_