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 bmr18432_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -2.12
_LACS_plot.Line_1_terminator_val_y_1 -0.73
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.85
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.25
_LACS_plot.Line_2_terminator_val_x_2 7.29
_LACS_plot.Line_2_terminator_val_y_2 5.79
_LACS_plot.Y_axis_chem_shift_offset -0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ASP -0.49 -2.69 0
27 ILE -0.26 -2.56 0
10 ALA -0.13 -0.15 1
11 VAL -2.12 0.11 1
12 GLU 0.55 -0.19 1
13 PHE 4.44 3.64 1
14 ASN 4.70 3.59 1
15 ASP 2.98 2.75 1
16 VAL 6.17 5.28 1
17 LYS 6.00 4.36 1
18 THR 6.01 5.02 1
19 LEU 2.33 3.32 1
20 LEU 2.84 3.37 1
21 ARG 5.41 4.00 1
22 GLU 3.47 3.53 1
23 TRP 2.32 1.55 1
24 ILE 1.78 1.52 1
25 THR 1.34 1.87 1
26 THR -0.13 1.24 1
28 SER 0.86 1.09 1
29 ASP -1.79 -1.34 1
31 MET -1.36 -0.03 1
32 GLU 4.17 3.91 1
33 GLU 3.89 3.74 1
34 ASP 2.72 3.99 1
35 ILE 6.31 5.70 1
36 LEU 4.31 3.00 1
37 GLN 6.00 4.77 1
38 VAL 6.67 5.11 1
39 VAL 7.29 6.08 1
40 LYS 3.51 2.33 1
41 TYR 3.69 3.16 1
43 THR 7.02 5.01 1
44 ASP 5.61 3.59 1
45 LEU 4.32 3.46 1
46 ILE 6.40 5.31 1
47 GLU 3.81 3.17 1
48 GLU -0.55 -0.87 1
49 LYS 4.52 1.31 1
51 LEU 3.71 1.53 1
52 GLU 3.51 2.97 1
53 LYS 4.07 3.33 1
54 LEU 3.78 2.93 1
55 ASP 2.62 3.74 1
56 LEU 3.14 2.96 1
57 VAL 5.55 4.71 1
58 ILE 5.96 2.79 1
59 LYS 4.70 4.37 1
60 TYR 3.83 4.11 1
61 MET 4.30 5.39 1
62 LYS 4.15 3.89 1
63 ARG 3.81 2.55 1
64 LEU 1.18 1.99 1
65 MET 4.59 4.14 1
66 GLN 3.08 1.26 1
67 GLN 1.06 0.74 1
68 SER 0.03 -0.19 1
69 VAL 1.61 0.63 1
70 GLU -0.19 -0.59 1
71 SER 1.45 1.59 1
72 VAL 4.35 2.54 1
73 TRP 2.20 2.32 1
74 ASN 4.19 4.30 1
75 MET 3.69 3.13 1
76 ALA 4.64 3.03 1
77 PHE 6.75 5.38 1
78 ASP 4.33 3.50 1
79 PHE 3.89 3.71 1
80 ILE 5.20 5.02 1
81 LEU 4.61 3.01 1
82 ASP 3.80 3.48 1
83 ASN 2.93 4.12 1
84 VAL 5.75 4.81 1
85 GLN 4.20 3.43 1
86 VAL 5.41 4.33 1
87 VAL 5.55 4.17 1
88 LEU 4.21 3.88 1
89 GLN 4.67 3.51 1
90 GLN 3.03 2.45 1
91 THR 3.35 3.31 1
92 TYR -1.07 0.58 1
94 SER -1.88 -0.87 1
95 THR -1.50 -0.68 1
96 LEU -0.51 -0.11 1
97 LYS 0.24 -0.36 1
98 VAL -0.03 -0.14 1
99 THR 0.16 1.09 1
102 HIS -0.37 1.18 1
103 LYS 0.11 0.20 1
104 LYS -1.65 -0.61 1
105 SER -0.24 -0.28 1
106 PHE 3.55 4.05 1
107 PHE 6.70 4.34 1
108 ASP 4.64 3.22 1
109 LYS 4.74 3.36 1
110 LYS 3.20 0.76 1
111 ARG 3.55 3.43 1
112 SER 2.49 2.27 1
113 GLU -0.15 0.41 1
114 ARG 0.57 0.11 1
115 LYS 0.23 -0.36 1
116 TRP 0.41 1.02 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18432_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -2.12
_LACS_plot.Line_1_terminator_val_y_1 1.39
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.75
_LACS_plot.Line_2_terminator_val_x_2 7.29
_LACS_plot.Line_2_terminator_val_y_2 -1.50
_LACS_plot.Y_axis_chem_shift_offset -0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ASP -0.49 -2.20 0
27 ILE -0.26 -2.30 0
10 ALA -0.13 -0.02 1
11 VAL -2.12 2.23 1
12 GLU 0.55 -0.74 1
13 PHE 4.44 -0.80 1
14 ASN 4.70 -1.11 1
15 ASP 2.98 -0.23 1
16 VAL 6.17 -0.89 1
17 LYS 6.00 -1.64 1
18 THR 6.01 -0.99 1
19 LEU 2.33 0.99 1
20 LEU 2.84 0.53 1
21 ARG 5.41 -1.41 1
22 GLU 3.47 0.06 1
23 TRP 2.32 -0.77 1
24 ILE 1.78 -0.26 1
25 THR 1.34 0.53 1
26 THR -0.13 1.37 1
28 SER 0.86 0.23 1
29 ASP -1.79 0.45 1
31 MET -1.36 1.33 1
32 GLU 4.17 -0.26 1
33 GLU 3.89 -0.15 1
34 ASP 2.72 1.27 1
35 ILE 6.31 -0.61 1
36 LEU 4.31 -1.31 1
37 GLN 6.00 -1.23 1
38 VAL 6.67 -1.56 1
39 VAL 7.29 -1.21 1
40 LYS 3.51 -1.18 1
41 TYR 3.69 -0.53 1
43 THR 7.02 -2.01 1
44 ASP 5.61 -2.02 1
45 LEU 4.32 -0.86 1
46 ILE 6.40 -1.09 1
47 GLU 3.81 -0.64 1
48 GLU -0.55 -0.32 1
49 LYS 4.52 -3.21 1
51 LEU 3.71 -2.18 1
52 GLU 3.51 -0.54 1
53 LYS 4.07 -0.74 1
54 LEU 3.78 -0.85 1
55 ASP 2.62 1.12 1
56 LEU 3.14 -0.18 1
57 VAL 5.55 -0.84 1
58 ILE 5.96 -3.17 1
59 LYS 4.70 -0.33 1
60 TYR 3.83 0.28 1
61 MET 4.30 1.09 1
62 LYS 4.15 -0.26 1
63 ARG 3.81 -1.26 1
64 LEU 1.18 0.81 1
65 MET 4.59 -0.45 1
66 GLN 3.08 -1.82 1
67 GLN 1.06 -0.32 1
68 SER 0.03 -0.22 1
69 VAL 1.61 -0.98 1
70 GLU -0.19 -0.40 1
71 SER 1.45 0.14 1
72 VAL 4.35 -1.81 1
73 TRP 2.20 0.12 1
74 ASN 4.19 0.11 1
75 MET 3.69 -0.56 1
76 ALA 4.64 -1.61 1
77 PHE 6.75 -1.37 1
78 ASP 4.33 -0.83 1
79 PHE 3.89 -0.18 1
80 ILE 5.20 -0.18 1
81 LEU 4.61 -1.60 1
82 ASP 3.80 -0.32 1
83 ASN 2.93 1.19 1
84 VAL 5.75 -0.94 1
85 GLN 4.20 -0.77 1
86 VAL 5.41 -1.08 1
87 VAL 5.55 -1.38 1
88 LEU 4.21 -0.33 1
89 GLN 4.67 -1.16 1
90 GLN 3.03 -0.58 1
91 THR 3.35 -0.04 1
92 TYR -1.07 1.65 1
94 SER -1.88 1.01 1
95 THR -1.50 0.82 1
96 LEU -0.51 0.40 1
97 LYS 0.24 -0.60 1
98 VAL -0.03 -0.11 1
99 THR 0.16 0.93 1
102 HIS -0.37 1.55 1
103 LYS 0.11 0.09 1
104 LYS -1.65 1.04 1
105 SER -0.24 -0.04 1
106 PHE 3.55 0.50 1
107 PHE 6.70 -2.36 1
108 ASP 4.64 -1.42 1
109 LYS 4.74 -1.38 1
110 LYS 3.20 -2.44 1
111 ARG 3.55 -0.12 1
112 SER 2.49 -0.22 1
113 GLU -0.15 0.56 1
114 ARG 0.57 -0.46 1
115 LYS 0.23 -0.59 1
116 TRP 0.41 0.61 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18432_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -2.12
_LACS_plot.Line_1_terminator_val_y_1 0.16
_LACS_plot.Line_1_terminator_val_x_2 2.00
_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 0.15
_LACS_plot.Line_2_terminator_val_x_2 7.29
_LACS_plot.Line_2_terminator_val_y_2 -0.60
_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
23 TRP 2.32 -1.64 0
24 ILE 1.78 -1.66 0
10 ALA -0.13 -0.32 1
11 VAL -2.12 0.17 1
12 GLU 0.55 -0.09 1
13 PHE 4.44 -0.36 1
14 ASN 4.70 -0.72 1
15 ASP 2.98 -0.18 1
16 VAL 6.17 -0.91 1
17 LYS 6.00 -0.84 1
18 THR 6.01 -0.48 1
19 LEU 2.33 0.02 1
20 LEU 2.84 0.04 1
21 ARG 5.41 -0.48 1
22 GLU 3.47 -0.45 1
25 THR 1.34 -0.25 1
26 THR -0.13 0.26 1
27 ILE -0.26 0.33 1
28 SER 0.86 0.05 1
29 ASP -1.79 -0.13 1
31 MET -1.36 -0.01 1
32 GLU 4.17 -0.48 1
33 GLU 3.89 -0.27 1
34 ASP 2.72 0.37 1
35 ILE 6.31 -0.22 1
36 LEU 4.31 -0.17 1
37 GLN 6.00 -0.22 1
38 VAL 6.67 -0.51 1
39 VAL 7.29 -0.72 1
40 LYS 3.51 -0.13 1
41 TYR 3.69 -0.01 1
43 THR 7.02 -0.43 1
44 ASP 5.61 -0.18 1
45 LEU 4.32 -0.46 1
46 ILE 6.40 -0.76 1
47 GLU 3.81 -0.33 1
48 GLU -0.55 -0.06 1
49 LYS 4.52 -0.66 1
50 ASP -0.49 0.42 1
51 LEU 3.71 -0.44 1
52 GLU 3.51 -0.27 1
53 LYS 4.07 -0.58 1
54 LEU 3.78 -0.43 1
55 ASP 2.62 -0.37 1
56 LEU 3.14 -0.37 1
57 VAL 5.55 -0.11 1
58 ILE 5.96 -0.16 1
59 LYS 4.70 -0.42 1
60 TYR 3.83 -0.22 1
61 MET 4.30 -0.75 1
62 LYS 4.15 -1.68 1
63 ARG 3.81 -0.47 1
64 LEU 1.18 -0.49 1
65 MET 4.59 -0.73 1
66 GLN 3.08 0.04 1
67 GLN 1.06 -0.10 1
68 SER 0.03 -0.06 1
69 VAL 1.61 0.07 1
70 GLU -0.19 0.12 1
72 VAL 4.35 -0.08 1
73 TRP 2.20 -0.12 1
74 ASN 4.19 -0.34 1
75 MET 3.69 -0.11 1
76 ALA 4.64 -0.05 1
77 PHE 6.75 -0.42 1
78 ASP 4.33 -0.40 1
79 PHE 3.89 -0.33 1
80 ILE 5.20 -0.75 1
81 LEU 4.61 -0.61 1
82 ASP 3.80 -0.38 1
83 ASN 2.93 -0.59 1
84 VAL 5.75 -0.71 1
85 GLN 4.20 0.11 1
86 VAL 5.41 -0.39 1
87 VAL 5.55 -0.36 1
88 LEU 4.21 -0.30 1
89 GLN 4.67 -0.35 1
90 GLN 3.03 -0.26 1
91 THR 3.35 -0.33 1
92 TYR -1.07 0.19 1
94 SER -1.88 0.19 1
95 THR -1.50 0.08 1
96 LEU -0.51 -0.02 1
97 LYS 0.24 0.11 1
98 VAL -0.03 0.15 1
99 THR 0.16 -0.19 1
102 HIS -0.37 -0.05 1
103 LYS 0.11 0.02 1
104 LYS -1.65 0.10 1
105 SER -0.24 0.38 1
106 PHE 3.55 -0.51 1
107 PHE 6.70 -0.73 1
108 ASP 4.64 -0.24 1
109 LYS 4.74 -0.37 1
110 LYS 3.20 -0.46 1
111 ARG 3.55 -0.30 1
112 SER 2.49 -0.18 1
113 GLU -0.15 -0.21 1
114 ARG 0.57 -0.31 1
115 LYS 0.23 -0.06 1
116 TRP 0.41 -0.19 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18432_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -2.12
_LACS_plot.Line_1_terminator_val_y_1 -0.67
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.94
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.45
_LACS_plot.Line_2_terminator_val_x_2 7.29
_LACS_plot.Line_2_terminator_val_y_2 2.74
_LACS_plot.Y_axis_chem_shift_offset -0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
99 THR 0.16 4.27 0
10 ALA -0.13 -2.38 1
11 VAL -2.12 1.25 1
12 GLU 0.55 2.03 1
13 PHE 4.44 0.89 1
14 ASN 4.70 2.39 1
15 ASP 2.98 1.59 1
16 VAL 6.17 1.44 1
17 LYS 6.00 1.80 1
18 THR 6.01 2.01 1
19 LEU 2.33 1.30 1
20 LEU 2.84 0.59 1
21 ARG 5.41 3.23 1
22 GLU 3.47 1.55 1
23 TRP 2.32 -1.01 1
24 ILE 1.78 0.68 1
25 THR 1.34 2.04 1
26 THR -0.13 -0.48 1
27 ILE -0.26 -1.01 1
28 SER 0.86 -1.14 1
31 MET -1.36 1.91 1
32 GLU 4.17 1.48 1
33 GLU 3.89 2.92 1
34 ASP 2.72 1.35 1
35 ILE 6.31 2.63 1
36 LEU 4.31 2.67 1
37 GLN 6.00 3.29 1
38 VAL 6.67 1.92 1
39 VAL 7.29 1.24 1
40 LYS 3.51 0.47 1
41 TYR 3.69 1.05 1
43 THR 7.02 2.39 1
44 ASP 5.61 3.25 1
45 LEU 4.32 1.91 1
46 ILE 6.40 3.54 1
47 GLU 3.81 1.49 1
48 GLU -0.55 -1.35 1
49 LYS 4.52 -0.80 1
50 ASP -0.49 0.04 1
51 LEU 3.71 2.19 1
52 GLU 3.51 2.02 1
53 LYS 4.07 1.35 1
54 LEU 3.78 -0.39 1
55 ASP 2.62 1.66 1
56 LEU 3.14 3.21 1
57 VAL 5.55 1.35 1
58 ILE 5.96 1.91 1
59 LYS 4.70 2.71 1
60 TYR 3.83 1.45 1
61 MET 4.30 0.82 1
62 LYS 4.15 1.12 1
63 ARG 3.81 2.23 1
64 LEU 1.18 1.55 1
65 MET 4.59 0.83 1
66 GLN 3.08 0.70 1
67 GLN 1.06 0.15 1
68 SER 0.03 0.73 1
69 VAL 1.61 0.08 1
70 GLU -0.19 0.25 1
71 SER 1.45 2.25 1
72 VAL 4.35 1.37 1
73 TRP 2.20 1.85 1
74 ASN 4.19 2.56 1
75 MET 3.69 2.77 1
76 ALA 4.64 1.20 1
77 PHE 6.75 0.51 1
78 ASP 4.33 1.83 1
79 PHE 3.89 3.00 1
80 ILE 5.20 0.81 1
81 LEU 4.61 1.05 1
82 ASP 3.80 2.33 1
83 ASN 2.93 2.25 1
84 VAL 5.75 0.78 1
85 GLN 4.20 3.33 1
86 VAL 5.41 2.10 1
87 VAL 5.55 3.79 1
88 LEU 4.21 1.70 1
89 GLN 4.67 3.00 1
90 GLN 3.03 1.21 1
91 THR 3.35 0.34 1
92 TYR -1.07 0.92 1
94 SER -1.88 -1.65 1
95 THR -1.50 0.02 1
96 LEU -0.51 -0.63 1
97 LYS 0.24 -0.58 1
98 VAL -0.03 -1.14 1
102 HIS -0.37 1.07 1
103 LYS 0.11 -0.95 1
104 LYS -1.65 -0.88 1
105 SER -0.24 1.09 1
106 PHE 3.55 1.90 1
107 PHE 6.70 2.44 1
108 ASP 4.64 3.01 1
109 LYS 4.74 2.68 1
110 LYS 3.20 2.76 1
111 ARG 3.55 2.30 1
112 SER 2.49 0.60 1
113 GLU -0.15 -0.04 1
114 ARG 0.57 -1.05 1
115 LYS 0.23 -1.33 1
stop_
save_