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 bmr5055_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.34
_LACS_plot.Line_1_terminator_val_y_1 -1.77
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 1.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.95
_LACS_plot.Line_2_terminator_val_x_2 6.94
_LACS_plot.Line_2_terminator_val_y_2 5.94
_LACS_plot.Y_axis_chem_shift_offset -0.62
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
66 ALA -7.34 -0.62 0
15 ILE 1.32 -1.26 0
10 SER -3.49 -0.92 1
11 LYS 1.00 1.77 1
12 GLN 1.31 1.62 1
13 MET -1.95 0.73 1
14 ASP -1.16 -0.13 1
16 THR 0.84 0.27 1
18 ALA 3.22 3.08 1
19 ILE 4.48 4.42 1
20 ARG 6.74 5.15 1
21 GLU 3.46 3.27 1
22 HIS 3.42 5.51 1
23 LEU 4.16 3.66 1
24 GLU 4.45 4.62 1
25 GLU 3.27 3.31 1
26 ARG 4.07 1.86 1
27 LEU 3.39 2.91 1
28 ALA 3.99 3.07 1
29 LYS 2.83 2.80 1
30 LEU 2.87 2.17 1
32 LYS 3.16 2.05 1
33 TRP 1.19 1.45 1
34 GLN 2.35 0.44 1
35 THR -0.33 0.71 1
36 GLN 2.43 2.23 1
37 LEU -1.01 -1.47 1
38 ILE -1.03 0.67 1
39 SER 1.21 1.63 1
41 HIS -4.81 -0.14 1
42 PHE -5.27 -0.71 1
43 VAL -1.76 -0.44 1
44 LEU -2.69 -0.81 1
45 ASN -4.46 -0.66 1
46 LYS -0.53 0.25 1
47 VAL -0.13 -0.36 1
49 ASN 1.28 0.65 1
51 PHE -5.00 -0.34 1
52 SER -3.71 -1.54 1
53 VAL -4.09 -1.44 1
54 GLU -5.67 -1.71 1
55 ALA -6.91 -1.85 1
56 SER -3.00 -1.54 1
57 ILE -3.46 0.66 1
59 THR -1.13 1.00 1
61 LEU -2.55 -0.72 1
63 ASN 0.02 1.01 1
64 LEU -2.93 -1.45 1
65 LEU -3.75 -0.14 1
67 SER -4.50 -0.94 1
68 ALA -4.82 0.94 1
69 THR -3.20 -0.65 1
70 SER -0.78 -0.28 1
71 ASP 2.67 2.16 1
72 ASP -5.45 -1.11 1
73 MET 4.25 4.39 1
74 TYR 6.94 5.11 1
75 LYS 4.40 4.30 1
76 ALA 4.11 3.02 1
77 ILE 5.83 5.69 1
78 ASN 3.82 3.62 1
79 GLU 3.46 3.27 1
80 VAL 6.86 5.76 1
81 GLU 4.76 4.67 1
82 GLU 3.53 3.72 1
83 LYS 3.89 4.92 1
84 LEU 2.98 3.50 1
85 GLU 4.51 4.50 1
87 GLN 3.07 3.63 1
88 LEU 4.07 3.29 1
89 ASN 3.30 3.72 1
90 LYS 3.40 3.03 1
91 LEU 2.06 2.39 1
92 GLN 2.27 2.36 1
93 HIS 1.49 3.01 1
94 LYS 1.14 1.12 1
95 SER 0.94 1.47 1
96 GLU -0.08 1.20 1
97 SER 0.88 1.32 1
98 ARG 0.64 0.79 1
99 ARG 0.62 1.27 1
100 ALA 0.87 1.25 1
101 ASP 0.01 0.66 1
102 GLU 0.30 1.16 1
103 ARG 0.73 1.27 1
104 LEU -0.04 0.38 1
105 LYS 0.85 1.02 1
106 ASP 0.67 0.96 1
107 SER 0.04 0.48 1
108 PHE 0.12 0.41 1
109 GLU -0.66 0.17 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5055_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.34
_LACS_plot.Line_1_terminator_val_y_1 5.57
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.68
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.05
_LACS_plot.Line_2_terminator_val_x_2 6.94
_LACS_plot.Line_2_terminator_val_y_2 -1.00
_LACS_plot.Y_axis_chem_shift_offset -0.62
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
66 ALA -7.34 6.72 0
15 ILE 1.32 -2.58 0
10 SER -3.49 2.57 1
11 LYS 1.00 0.77 1
12 GLN 1.31 0.31 1
13 MET -1.95 2.68 1
14 ASP -1.16 1.03 1
16 THR 0.84 -0.57 1
18 ALA 3.22 -0.14 1
19 ILE 4.48 -0.06 1
20 ARG 6.74 -1.59 1
21 GLU 3.46 -0.19 1
22 HIS 3.42 2.09 1
23 LEU 4.16 -0.50 1
24 GLU 4.45 0.17 1
25 GLU 3.27 0.04 1
26 ARG 4.07 -2.21 1
27 LEU 3.39 -0.48 1
28 ALA 3.99 -0.92 1
29 LYS 2.83 -0.03 1
30 LEU 2.87 -0.70 1
32 LYS 3.16 -1.11 1
33 TRP 1.19 0.26 1
34 GLN 2.35 -1.91 1
35 THR -0.33 1.04 1
36 GLN 2.43 -0.20 1
37 LEU -1.01 -0.46 1
38 ILE -1.03 1.70 1
39 SER 1.21 0.42 1
41 HIS -4.81 4.67 1
42 PHE -5.27 4.56 1
43 VAL -1.76 1.32 1
44 LEU -2.69 1.88 1
45 ASN -4.46 3.80 1
46 LYS -0.53 0.78 1
47 VAL -0.13 -0.23 1
49 ASN 1.28 -0.63 1
51 PHE -5.00 4.66 1
52 SER -3.71 2.17 1
53 VAL -4.09 2.65 1
54 GLU -5.67 3.96 1
55 ALA -6.91 5.06 1
56 SER -3.00 1.46 1
57 ILE -3.46 4.12 1
59 THR -1.13 2.13 1
61 LEU -2.55 1.83 1
63 ASN 0.02 0.99 1
64 LEU -2.93 1.48 1
65 LEU -3.75 3.61 1
67 SER -4.50 3.56 1
68 ALA -4.82 5.76 1
69 THR -3.20 2.55 1
70 SER -0.78 0.50 1
71 ASP 2.67 -0.51 1
72 ASP -5.45 4.34 1
73 MET 4.25 0.14 1
74 TYR 6.94 -1.83 1
75 LYS 4.40 -0.10 1
76 ALA 4.11 -1.09 1
77 ILE 5.83 -0.14 1
78 ASN 3.82 -0.20 1
79 GLU 3.46 -0.19 1
80 VAL 6.86 -1.10 1
81 GLU 4.76 -0.09 1
82 GLU 3.53 0.19 1
83 LYS 3.89 1.03 1
84 LEU 2.98 0.52 1
85 GLU 4.51 -0.01 1
87 GLN 3.07 0.56 1
88 LEU 4.07 -0.78 1
89 ASN 3.30 0.42 1
90 LYS 3.40 -0.37 1
91 LEU 2.06 0.33 1
92 GLN 2.27 0.09 1
93 HIS 1.49 1.52 1
94 LYS 1.14 -0.02 1
95 SER 0.94 0.53 1
96 GLU -0.08 1.28 1
97 SER 0.88 0.44 1
98 ARG 0.64 0.15 1
99 ARG 0.62 0.65 1
100 ALA 0.87 0.38 1
101 ASP 0.01 0.65 1
102 GLU 0.30 0.86 1
103 ARG 0.73 0.54 1
104 LEU -0.04 0.42 1
105 LYS 0.85 0.17 1
106 ASP 0.67 0.29 1
107 SER 0.04 0.44 1
108 PHE 0.12 0.29 1
109 GLU -0.66 0.83 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5055_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.34
_LACS_plot.Line_1_terminator_val_y_1 0.96
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.35
_LACS_plot.Line_2_terminator_val_x_2 6.94
_LACS_plot.Line_2_terminator_val_y_2 -0.80
_LACS_plot.Y_axis_chem_shift_offset -0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
69 THR -3.20 1.22 0
66 ALA -7.34 0.54 0
10 SER -3.49 0.72 1
11 LYS 1.00 0.18 1
12 GLN 1.31 -0.04 1
13 MET -1.95 0.11 1
14 ASP -1.16 0.05 1
15 ILE 1.32 -0.16 1
16 THR 0.84 0.11 1
18 ALA 3.22 -0.15 1
19 ILE 4.48 -0.49 1
20 ARG 6.74 -0.69 1
21 GLU 3.46 -0.36 1
22 HIS 3.42 -0.43 1
23 LEU 4.16 -0.68 1
24 GLU 4.45 -0.58 1
25 GLU 3.27 -0.27 1
26 ARG 4.07 -0.36 1
27 LEU 3.39 -0.35 1
28 ALA 3.99 -0.23 1
29 LYS 2.83 -0.28 1
30 LEU 2.87 -0.06 1
32 LYS 3.16 -0.20 1
33 TRP 1.19 -0.17 1
34 GLN 2.35 -0.28 1
35 THR -0.33 0.09 1
36 GLN 2.43 -0.26 1
37 LEU -1.01 0.53 1
38 ILE -1.03 -0.08 1
39 SER 1.21 -0.63 1
41 HIS -4.81 1.05 1
42 PHE -5.27 0.83 1
43 VAL -1.76 0.72 1
44 LEU -2.69 0.86 1
45 ASN -4.46 0.65 1
46 LYS -0.53 0.22 1
47 VAL -0.13 0.31 1
49 ASN 1.28 -0.12 1
51 PHE -5.00 0.59 1
52 SER -3.71 1.06 1
53 VAL -4.09 1.07 1
54 GLU -5.67 0.71 1
55 ALA -6.91 0.74 1
56 SER -3.00 0.80 1
57 ILE -3.46 0.04 1
59 THR -1.13 0.88 1
61 LEU -2.55 0.10 1
63 ASN 0.02 0.36 1
64 LEU -2.93 0.32 1
65 LEU -3.75 0.96 1
67 SER -4.50 1.19 1
68 ALA -4.82 0.35 1
70 SER -0.78 0.28 1
71 ASP 2.67 0.15 1
72 ASP -5.45 0.33 1
73 MET 4.25 -1.10 1
74 TYR 6.94 -0.76 1
75 LYS 4.40 -0.24 1
76 ALA 4.11 -0.25 1
77 ILE 5.83 -0.70 1
78 ASN 3.82 -0.31 1
79 GLU 3.46 -0.22 1
80 VAL 6.86 -0.61 1
81 GLU 4.76 -0.50 1
82 GLU 3.53 -0.33 1
83 LYS 3.89 -0.32 1
84 LEU 2.98 -0.48 1
85 GLU 4.51 -0.89 1
87 GLN 3.07 -0.34 1
88 LEU 4.07 -0.55 1
89 ASN 3.30 -0.48 1
90 LYS 3.40 -0.23 1
91 LEU 2.06 -0.25 1
92 GLN 2.27 -0.29 1
93 HIS 1.49 -0.18 1
94 LYS 1.14 -0.05 1
95 SER 0.94 -0.07 1
96 GLU -0.08 -0.03 1
97 SER 0.88 -0.08 1
98 ARG 0.64 0.04 1
99 ARG 0.62 -0.02 1
100 ALA 0.87 -0.08 1
101 ASP 0.01 -0.08 1
102 GLU 0.30 -0.12 1
103 ARG 0.73 -0.05 1
104 LEU -0.04 -0.04 1
105 LYS 0.85 -0.02 1
106 ASP 0.67 -0.10 1
107 SER 0.04 -0.09 1
108 PHE 0.12 0.06 1
109 GLU -0.66 -0.06 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5055_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.34
_LACS_plot.Line_1_terminator_val_y_1 -3.08
_LACS_plot.Line_1_terminator_val_x_2 1.99
_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 -0.73
_LACS_plot.Line_2_terminator_val_x_2 6.94
_LACS_plot.Line_2_terminator_val_y_2 2.83
_LACS_plot.Y_axis_chem_shift_offset -0.10
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
93 HIS 1.49 4.84 0
10 SER -3.49 0.00 1
11 LYS 1.00 0.19 1
12 GLN 1.31 -1.44 1
13 MET -1.95 -1.62 1
14 ASP -1.16 -0.57 1
15 ILE 1.32 -0.67 1
18 ALA 3.22 3.32 1
19 ILE 4.48 1.04 1
20 ARG 6.74 1.62 1
21 GLU 3.46 2.49 1
22 HIS 3.42 4.13 1
23 LEU 4.16 1.25 1
24 GLU 4.45 3.35 1
25 GLU 3.27 3.09 1
26 ARG 4.07 2.84 1
27 LEU 3.39 2.01 1
28 ALA 3.99 3.32 1
29 LYS 2.83 2.84 1
30 LEU 2.87 1.32 1
32 LYS 3.16 0.56 1
33 TRP 1.19 0.21 1
34 GLN 2.35 -0.83 1
35 THR -0.33 -0.95 1
36 GLN 2.43 -2.54 1
37 LEU -1.01 -0.78 1
38 ILE -1.03 -1.05 1
41 HIS -4.81 0.10 1
42 PHE -5.27 -1.84 1
43 VAL -1.76 -0.62 1
44 LEU -2.69 -2.66 1
45 ASN -4.46 -0.91 1
46 LYS -0.53 -1.05 1
49 ASN 1.28 -0.64 1
51 PHE -5.00 -1.87 1
52 SER -3.71 -1.10 1
53 VAL -4.09 -2.37 1
54 GLU -5.67 -1.88 1
55 ALA -6.91 -2.22 1
56 SER -3.00 -0.60 1
57 ILE -3.46 -1.86 1
61 LEU -2.55 -1.41 1
63 ASN 0.02 -0.26 1
64 LEU -2.93 -1.54 1
65 LEU -3.75 -1.59 1
66 ALA -7.34 -3.36 1
67 SER -4.50 -1.84 1
68 ALA -4.82 -2.07 1
69 THR -3.20 -0.60 1
70 SER -0.78 -0.90 1
71 ASP 2.67 -0.92 1
72 ASP -5.45 -0.47 1
73 MET 4.25 0.86 1
74 TYR 6.94 0.30 1
75 LYS 4.40 3.19 1
76 ALA 4.11 1.40 1
77 ILE 5.83 2.27 1
78 ASN 3.82 1.37 1
79 GLU 3.46 2.93 1
80 VAL 6.86 0.84 1
81 GLU 4.76 1.30 1
82 GLU 3.53 3.31 1
83 LYS 3.89 3.67 1
84 LEU 2.98 -0.53 1
85 GLU 4.51 2.03 1
87 GLN 3.07 2.97 1
88 LEU 4.07 1.10 1
89 ASN 3.30 2.80 1
90 LYS 3.40 2.79 1
91 LEU 2.06 1.60 1
92 GLN 2.27 1.24 1
94 LYS 1.14 0.73 1
95 SER 0.94 0.75 1
96 GLU -0.08 0.58 1
97 SER 0.88 0.32 1
98 ARG 0.64 0.45 1
99 ARG 0.62 0.60 1
100 ALA 0.87 0.24 1
101 ASP 0.01 -2.06 1
102 GLU 0.30 0.35 1
103 ARG 0.73 0.46 1
104 LEU -0.04 0.08 1
105 LYS 0.85 1.35 1
106 ASP 0.67 0.01 1
107 SER 0.04 -0.29 1
108 PHE 0.12 -0.11 1
109 GLU -0.66 -1.32 1
stop_
save_