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 bmr11200_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.81
_LACS_plot.Line_1_terminator_val_y_1 -2.69
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.99
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.34
_LACS_plot.Line_2_terminator_val_x_2 6.26
_LACS_plot.Line_2_terminator_val_y_2 4.79
_LACS_plot.Y_axis_chem_shift_offset -0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
55 ILE -0.51 -2.80 0
10 THR -0.42 -0.27 1
11 ASP -0.12 0.08 1
12 GLU 0.24 0.44 1
13 ARG 0.72 0.40 1
14 VAL 0.68 0.44 1
15 TYR 0.33 0.47 1
16 GLU -1.13 -0.24 1
17 SER -0.15 0.06 1
18 ILE 0.50 0.37 1
20 HIS -0.13 0.46 1
21 TYR -0.27 -0.15 1
24 GLU -0.90 -0.22 1
25 THR 1.27 0.81 1
26 VAL -3.37 -2.12 1
27 LYS -5.38 -1.88 1
28 ILE -0.87 -0.78 1
29 VAL -5.53 -2.53 1
30 ARG -2.87 -1.34 1
31 ILE -4.77 -1.97 1
32 GLU -1.50 -1.24 1
33 LYS -2.71 -1.04 1
34 ALA -1.06 -0.49 1
35 ARG 3.26 2.65 1
36 ASP 1.72 0.55 1
37 ILE -2.44 -1.86 1
39 LEU 3.01 2.55 1
41 ALA -3.07 -1.75 1
42 THR -1.38 -0.96 1
43 VAL -6.18 -3.68 1
44 ARG -4.67 -1.94 1
45 ASN -2.32 0.26 1
46 GLU -1.78 -0.86 1
47 MET 5.77 2.24 1
48 ASP 1.87 1.30 1
49 SER 0.31 1.48 1
50 VAL 1.21 0.47 1
51 ILE -6.06 -3.66 1
52 ILE 3.53 0.51 1
53 SER -0.96 -0.28 1
54 ARG -2.87 -0.35 1
56 VAL 0.53 0.38 1
57 LYS 3.19 1.98 1
60 ALA 2.87 2.40 1
61 ALA 3.76 2.96 1
62 GLU 4.23 3.49 1
63 LYS 3.54 2.77 1
64 SER 1.67 2.30 1
66 LEU -1.78 0.07 1
67 LEU -5.34 -1.93 1
68 HIS -3.07 -0.42 1
69 GLU 3.08 1.89 1
71 ASP 1.28 1.58 1
72 GLU -2.93 -2.21 1
73 VAL 0.61 0.06 1
74 LEU 0.13 0.92 1
75 GLU -6.57 -1.56 1
76 ILE -3.93 -1.12 1
77 ASN 3.41 0.74 1
79 ILE -0.34 -1.02 1
80 GLU 0.97 1.14 1
81 ILE -0.64 -1.77 1
82 ARG 3.19 2.87 1
84 LYS -1.33 -0.30 1
85 ASP -2.83 -0.98 1
86 VAL 5.33 3.87 1
87 ASN 4.81 3.75 1
88 GLU 2.35 2.39 1
89 VAL 6.27 4.62 1
90 PHE 5.26 4.16 1
91 ASP 4.35 3.48 1
92 LEU 3.25 2.95 1
93 LEU 1.79 1.87 1
94 SER 3.51 3.00 1
95 ASP -1.17 -0.05 1
96 MET -0.07 1.01 1
97 HIS -3.12 -0.22 1
99 THR 2.49 1.62 1
100 LEU -2.74 -1.15 1
101 THR 1.04 0.43 1
102 PHE -3.73 -1.15 1
103 VAL 0.62 0.01 1
104 LEU -6.81 -1.92 1
105 ILE -0.54 0.19 1
107 SER 0.29 0.18 1
108 SER 0.03 0.12 1
111 SER 0.04 0.06 1
112 SER -0.01 0.09 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11200_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.81
_LACS_plot.Line_1_terminator_val_y_1 4.12
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.66
_LACS_plot.Line_2_terminator_val_x_2 6.26
_LACS_plot.Line_2_terminator_val_y_2 -1.47
_LACS_plot.Y_axis_chem_shift_offset -0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
55 ILE -0.51 -2.29 0
10 THR -0.42 0.15 1
11 ASP -0.12 0.20 1
12 GLU 0.24 0.20 1
13 ARG 0.72 -0.32 1
14 VAL 0.68 -0.24 1
15 TYR 0.33 0.14 1
16 GLU -1.13 0.89 1
17 SER -0.15 0.21 1
18 ILE 0.50 -0.13 1
20 HIS -0.13 0.59 1
21 TYR -0.27 0.12 1
24 GLU -0.90 0.68 1
25 THR 1.27 -0.46 1
26 VAL -3.37 1.25 1
27 LYS -5.38 3.50 1
28 ILE -0.87 0.09 1
29 VAL -5.53 3.00 1
30 ARG -2.87 1.53 1
31 ILE -4.77 2.80 1
32 GLU -1.50 0.26 1
33 LYS -2.71 1.67 1
34 ALA -1.06 0.57 1
35 ARG 3.26 -0.61 1
36 ASP 1.72 -1.17 1
37 ILE -2.44 0.58 1
39 LEU 3.01 -0.46 1
41 ALA -3.07 1.32 1
42 THR -1.38 0.42 1
43 VAL -6.18 2.50 1
44 ARG -4.67 2.73 1
45 ASN -2.32 2.58 1
46 GLU -1.78 0.92 1
47 MET 5.77 -3.53 1
48 ASP 1.87 -0.57 1
49 SER 0.31 1.17 1
50 VAL 1.21 -0.74 1
51 ILE -6.06 2.40 1
52 ILE 3.53 -3.02 1
53 SER -0.96 0.68 1
54 ARG -2.87 2.52 1
56 VAL 0.53 -0.15 1
57 LYS 3.19 -1.21 1
60 ALA 2.87 -0.47 1
61 ALA 3.76 -0.80 1
62 GLU 4.23 -0.74 1
63 LYS 3.54 -0.77 1
64 SER 1.67 0.63 1
66 LEU -1.78 1.85 1
67 LEU -5.34 3.41 1
68 HIS -3.07 2.65 1
69 GLU 3.08 -1.19 1
71 ASP 1.28 0.30 1
72 GLU -2.93 0.72 1
73 VAL 0.61 -0.55 1
74 LEU 0.13 0.79 1
75 GLU -6.57 5.01 1
76 ILE -3.93 2.81 1
77 ASN 3.41 -2.67 1
79 ILE -0.34 -0.68 1
80 GLU 0.97 0.17 1
81 ILE -0.64 -1.13 1
82 ARG 3.19 -0.32 1
84 LYS -1.33 1.03 1
85 ASP -2.83 1.85 1
86 VAL 5.33 -1.46 1
87 ASN 4.81 -1.06 1
88 GLU 2.35 0.04 1
89 VAL 6.27 -1.65 1
90 PHE 5.26 -1.10 1
91 ASP 4.35 -0.87 1
92 LEU 3.25 -0.30 1
93 LEU 1.79 0.08 1
94 SER 3.51 -0.51 1
95 ASP -1.17 1.12 1
96 MET -0.07 1.08 1
97 HIS -3.12 2.90 1
99 THR 2.49 -0.87 1
100 LEU -2.74 1.59 1
101 THR 1.04 -0.61 1
102 PHE -3.73 2.58 1
103 VAL 0.62 -0.61 1
104 LEU -6.81 4.89 1
105 ILE -0.54 0.73 1
107 SER 0.29 -0.11 1
108 SER 0.03 0.09 1
111 SER 0.04 0.02 1
112 SER -0.01 0.10 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11200_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.81
_LACS_plot.Line_1_terminator_val_y_1 0.75
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.16
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.20
_LACS_plot.Line_2_terminator_val_x_2 6.26
_LACS_plot.Line_2_terminator_val_y_2 -0.56
_LACS_plot.Y_axis_chem_shift_offset -0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
43 VAL -6.18 1.31 0
104 LEU -6.81 1.37 0
28 ILE -0.87 0.96 0
30 ARG -2.87 1.18 0
67 LEU -5.34 0.00 0
10 THR -0.42 0.02 1
11 ASP -0.12 -0.03 1
12 GLU 0.24 -0.12 1
13 ARG 0.72 -0.10 1
14 VAL 0.68 -0.09 1
15 TYR 0.33 -0.05 1
16 GLU -1.13 0.05 1
17 SER -0.15 0.00 1
18 ILE 0.50 0.09 1
20 HIS -0.13 -0.05 1
21 TYR -0.27 0.03 1
24 GLU -0.90 0.09 1
25 THR 1.27 0.01 1
26 VAL -3.37 0.69 1
27 LYS -5.38 0.45 1
29 VAL -5.53 0.68 1
31 ILE -4.77 0.25 1
32 GLU -1.50 0.35 1
33 LYS -2.71 0.18 1
34 ALA -1.06 0.20 1
35 ARG 3.26 -0.44 1
36 ASP 1.72 -0.18 1
37 ILE -2.44 0.27 1
39 LEU 3.01 -0.32 1
41 ALA -3.07 0.97 1
42 THR -1.38 0.32 1
44 ARG -4.67 0.47 1
45 ASN -2.32 0.97 1
46 GLU -1.78 0.10 1
47 MET 5.77 -0.56 1
48 ASP 1.87 -0.03 1
49 SER 0.31 0.16 1
50 VAL 1.21 0.25 1
51 ILE -6.06 0.82 1
52 ILE 3.53 -0.01 1
53 SER -0.96 0.09 1
54 ARG -2.87 0.22 1
55 ILE -0.51 0.33 1
56 VAL 0.53 -0.27 1
57 LYS 3.19 -0.24 1
60 ALA 2.87 -0.24 1
61 ALA 3.76 -0.48 1
62 GLU 4.23 -0.60 1
63 LYS 3.54 -0.40 1
64 SER 1.67 -0.25 1
66 LEU -1.78 0.07 1
68 HIS -3.07 -0.02 1
69 GLU 3.08 -0.77 1
71 ASP 1.28 -0.09 1
72 GLU -2.93 0.69 1
73 VAL 0.61 0.00 1
74 LEU 0.13 0.20 1
75 GLU -6.57 0.91 1
76 ILE -3.93 0.43 1
77 ASN 3.41 -0.45 1
79 ILE -0.34 -0.13 1
80 GLU 0.97 -0.07 1
81 ILE -0.64 -0.07 1
82 ARG 3.19 0.00 1
84 LYS -1.33 0.08 1
85 ASP -2.83 0.16 1
86 VAL 5.33 -0.60 1
87 ASN 4.81 -0.21 1
88 GLU 2.35 -0.13 1
89 VAL 6.27 -0.67 1
90 PHE 5.26 -0.44 1
91 ASP 4.35 -0.24 1
92 LEU 3.25 -0.21 1
93 LEU 1.79 -0.28 1
94 SER 3.51 -0.32 1
95 ASP -1.17 0.24 1
96 MET -0.07 -0.08 1
97 HIS -3.12 0.03 1
99 THR 2.49 0.05 1
100 LEU -2.74 0.47 1
101 THR 1.04 0.58 1
102 PHE -3.73 0.44 1
103 VAL 0.62 0.55 1
105 ILE -0.54 0.40 1
107 SER 0.29 -0.20 1
108 SER 0.03 0.02 1
111 SER 0.04 0.01 1
112 SER -0.01 0.00 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11200_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.81
_LACS_plot.Line_1_terminator_val_y_1 -2.50
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.42
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.02
_LACS_plot.Line_2_terminator_val_x_2 6.26
_LACS_plot.Line_2_terminator_val_y_2 1.96
_LACS_plot.Y_axis_chem_shift_offset 0.27
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 MET 5.77 -0.74 0
51 ILE -6.06 0.31 0
85 ASP -2.83 2.00 0
10 THR -0.42 -0.66 1
11 ASP -0.12 -0.17 1
12 GLU 0.24 -0.02 1
13 ARG 0.72 0.05 1
14 VAL 0.68 -0.27 1
15 TYR 0.33 -0.30 1
16 GLU -1.13 -0.57 1
17 SER -0.15 -0.11 1
18 ILE 0.50 0.66 1
20 HIS -0.13 0.17 1
21 TYR -0.27 0.40 1
24 GLU -0.90 -0.12 1
25 THR 1.27 -0.84 1
26 VAL -3.37 -1.06 1
27 LYS -5.38 -2.60 1
28 ILE -0.87 0.19 1
29 VAL -5.53 -2.62 1
30 ARG -2.87 -1.08 1
31 ILE -4.77 -2.20 1
32 GLU -1.50 -1.11 1
33 LYS -2.71 -1.93 1
34 ALA -1.06 0.28 1
35 ARG 3.26 0.22 1
36 ASP 1.72 -1.30 1
37 ILE -2.44 -1.58 1
39 LEU 3.01 -0.22 1
41 ALA -3.07 -2.71 1
42 THR -1.38 -0.20 1
43 VAL -6.18 -2.32 1
44 ARG -4.67 -2.49 1
45 ASN -2.32 0.33 1
46 GLU -1.78 -0.98 1
48 ASP 1.87 -0.48 1
49 SER 0.31 -1.16 1
50 VAL 1.21 -2.40 1
52 ILE 3.53 -0.72 1
53 SER -0.96 -0.49 1
54 ARG -2.87 -2.20 1
55 ILE -0.51 -0.57 1
56 VAL 0.53 0.21 1
57 LYS 3.19 1.30 1
60 ALA 2.87 3.30 1
61 ALA 3.76 2.86 1
62 GLU 4.23 1.97 1
63 LYS 3.54 2.02 1
64 SER 1.67 1.13 1
66 LEU -1.78 -1.98 1
67 LEU -5.34 -3.34 1
68 HIS -3.07 -0.69 1
69 GLU 3.08 0.48 1
71 ASP 1.28 -1.63 1
72 GLU -2.93 -0.78 1
73 VAL 0.61 -1.76 1
74 LEU 0.13 0.96 1
75 GLU -6.57 -2.03 1
76 ILE -3.93 -1.22 1
77 ASN 3.41 -0.27 1
79 ILE -0.34 -0.76 1
80 GLU 0.97 -0.34 1
81 ILE -0.64 -1.51 1
82 ARG 3.19 1.65 1
84 LYS -1.33 -0.88 1
86 VAL 5.33 0.66 1
87 ASN 4.81 2.51 1
88 GLU 2.35 2.88 1
89 VAL 6.27 0.75 1
90 PHE 5.26 3.12 1
91 ASP 4.35 2.60 1
92 LEU 3.25 1.63 1
93 LEU 1.79 1.72 1
94 SER 3.51 0.41 1
95 ASP -1.17 -0.41 1
96 MET -0.07 -1.48 1
97 HIS -3.12 -0.39 1
99 THR 2.49 -0.33 1
100 LEU -2.74 -2.09 1
101 THR 1.04 -0.42 1
102 PHE -3.73 -1.28 1
103 VAL 0.62 -0.84 1
104 LEU -6.81 -0.82 1
105 ILE -0.54 0.46 1
107 SER 0.29 1.15 1
108 SER 0.03 -0.01 1
111 SER 0.04 0.09 1
112 SER -0.01 -0.66 1
stop_
save_