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 bmr11142_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -3.99
_LACS_plot.Line_1_terminator_val_y_1 -4.28
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.78
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -4.01
_LACS_plot.Line_2_terminator_val_x_2 8.44
_LACS_plot.Line_2_terminator_val_y_2 4.53
_LACS_plot.Y_axis_chem_shift_offset 2.49
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
89 MET 3.97 -2.05 0
46 HIS 5.04 4.31 0
39 MET 5.42 -0.89 0
82 GLN 3.68 -2.60 0
10 GLN 3.77 0.20 1
11 MET 4.70 1.62 1
12 LEU 2.94 0.24 1
13 LEU 5.24 1.67 1
14 ASP 4.57 1.19 1
15 TRP 6.11 2.53 1
17 ARG 4.47 1.66 1
18 ALA 3.52 0.28 1
19 LYS 1.01 -3.24 1
20 THR -0.83 -3.43 1
21 ARG 2.99 -0.15 1
23 TYR 2.08 -1.23 1
24 GLU 0.07 -1.88 1
25 HIS 3.12 0.70 1
26 VAL -1.39 -2.58 1
27 ASP -0.46 -2.61 1
28 ILE 2.80 -0.80 1
29 GLN -2.84 -3.37 1
30 ASN -1.47 -3.31 1
31 PHE 1.93 -0.49 1
32 SER -0.89 -3.08 1
33 SER 5.01 1.50 1
34 SER 3.09 0.70 1
35 TRP 0.65 -2.52 1
36 SER 2.65 1.44 1
37 ASP -0.22 -3.32 1
40 ALA 5.28 1.13 1
41 PHE 4.92 2.58 1
43 ALA 2.21 0.24 1
44 LEU 1.99 0.43 1
45 VAL 4.75 2.56 1
47 ASN 2.79 2.14 1
48 PHE 1.00 0.46 1
49 PHE -0.62 -3.24 1
51 GLU 0.66 -2.79 1
52 ALA 2.36 0.31 1
53 PHE -0.74 -4.21 1
54 ASP -1.65 -4.24 1
55 TYR 4.83 1.37 1
57 GLN -0.27 -2.70 1
58 LEU 0.15 -3.34 1
59 SER -3.99 -4.46 1
61 GLN 2.36 -0.62 1
62 ASN 0.30 -4.65 1
63 ARG 4.85 1.86 1
64 ARG 5.59 2.19 1
65 GLN 3.74 0.79 1
66 ASN 4.49 0.18 1
67 PHE 4.71 1.54 1
68 GLU 3.17 0.73 1
69 VAL 5.48 1.62 1
70 ALA 3.79 1.72 1
71 PHE 2.34 -2.77 1
72 SER 4.97 1.36 1
73 SER 5.33 2.59 1
74 ALA 3.66 0.89 1
75 GLU 3.38 1.16 1
76 THR 4.65 2.09 1
77 HIS 4.41 1.20 1
78 ALA -2.82 -4.15 1
79 ASP 2.70 -1.16 1
83 LEU 0.64 -1.36 1
84 LEU -2.03 -5.32 1
85 ASP -2.23 -3.17 1
86 THR 8.44 4.42 1
87 GLU 3.98 0.21 1
88 ASP 3.33 0.60 1
90 VAL 3.56 0.25 1
91 ARG 2.23 -0.01 1
92 LEU -0.96 -3.05 1
93 ARG 2.75 -0.32 1
94 GLU -2.98 -3.46 1
96 ASP -0.86 -2.19 1
97 TRP 2.30 -1.49 1
98 LYS 5.69 1.17 1
100 VAL 6.62 3.15 1
101 TYR 2.63 0.84 1
102 THR 6.17 2.79 1
103 TYR 4.74 2.22 1
104 ILE 5.47 0.30 1
105 GLN 4.03 1.72 1
106 GLU 2.95 -0.61 1
107 PHE 5.49 2.17 1
108 TYR 5.31 2.26 1
109 ARG 5.23 1.69 1
111 LEU 3.61 0.29 1
112 VAL 5.03 1.32 1
113 GLN 4.38 0.75 1
114 LYS -0.51 -2.36 1
116 LEU -0.31 -1.79 1
117 VAL -2.57 -3.24 1
119 THR -0.31 -2.47 1
127 SER -0.04 -2.27 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11142_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -3.99
_LACS_plot.Line_1_terminator_val_y_1 -0.29
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -3.77
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.01
_LACS_plot.Line_2_terminator_val_x_2 8.44
_LACS_plot.Line_2_terminator_val_y_2 -3.91
_LACS_plot.Y_axis_chem_shift_offset 2.49
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
89 MET 3.97 -6.02 0
46 HIS 5.04 -0.73 0
39 MET 5.42 -6.31 0
82 GLN 3.68 -6.28 0
10 GLN 3.77 -3.57 1
11 MET 4.70 -3.08 1
12 LEU 2.94 -2.70 1
13 LEU 5.24 -3.57 1
14 ASP 4.57 -3.38 1
15 TRP 6.11 -3.58 1
17 ARG 4.47 -2.81 1
18 ALA 3.52 -3.24 1
19 LYS 1.01 -4.25 1
20 THR -0.83 -2.60 1
21 ARG 2.99 -3.14 1
23 TYR 2.08 -3.31 1
24 GLU 0.07 -1.95 1
25 HIS 3.12 -2.42 1
26 VAL -1.39 -1.19 1
27 ASP -0.46 -2.15 1
28 ILE 2.80 -3.60 1
29 GLN -2.84 -0.53 1
30 ASN -1.47 -1.84 1
31 PHE 1.93 -2.42 1
32 SER -0.89 -2.19 1
33 SER 5.01 -3.51 1
34 SER 3.09 -2.39 1
35 TRP 0.65 -3.17 1
36 SER 2.65 -1.21 1
37 ASP -0.22 -3.10 1
40 ALA 5.28 -4.15 1
41 PHE 4.92 -2.34 1
43 ALA 2.21 -1.97 1
44 LEU 1.99 -1.56 1
45 VAL 4.75 -2.19 1
47 ASN 2.79 -0.65 1
48 PHE 1.00 -0.54 1
49 PHE -0.62 -2.62 1
51 GLU 0.66 -3.45 1
52 ALA 2.36 -2.05 1
53 PHE -0.74 -3.47 1
54 ASP -1.65 -2.59 1
55 TYR 4.83 -3.46 1
57 GLN -0.27 -2.43 1
58 LEU 0.15 -3.49 1
59 SER -3.99 -0.47 1
61 GLN 2.36 -2.98 1
62 ASN 0.30 -4.95 1
63 ARG 4.85 -2.99 1
64 ARG 5.59 -3.40 1
65 GLN 3.74 -2.95 1
66 ASN 4.49 -4.31 1
67 PHE 4.71 -3.17 1
68 GLU 3.17 -2.44 1
69 VAL 5.48 -3.86 1
70 ALA 3.79 -2.07 1
71 PHE 2.34 -5.11 1
72 SER 4.97 -3.61 1
73 SER 5.33 -2.74 1
74 ALA 3.66 -2.77 1
75 GLU 3.38 -2.22 1
76 THR 4.65 -2.56 1
77 HIS 4.41 -3.21 1
78 ALA -2.82 -1.33 1
79 ASP 2.70 -3.86 1
83 LEU 0.64 -2.00 1
84 LEU -2.03 -3.29 1
85 ASP -2.23 -0.94 1
86 THR 8.44 -4.02 1
87 GLU 3.98 -3.77 1
88 ASP 3.33 -2.73 1
90 VAL 3.56 -3.31 1
91 ARG 2.23 -2.24 1
92 LEU -0.96 -2.09 1
93 ARG 2.75 -3.07 1
94 GLU -2.98 -0.48 1
96 ASP -0.86 -1.33 1
97 TRP 2.30 -3.79 1
98 LYS 5.69 -4.52 1
100 VAL 6.62 -3.47 1
101 TYR 2.63 -1.79 1
102 THR 6.17 -3.38 1
103 TYR 4.74 -2.52 1
104 ILE 5.47 -5.17 1
105 GLN 4.03 -2.31 1
106 GLU 2.95 -3.56 1
107 PHE 5.49 -3.32 1
108 TYR 5.31 -3.05 1
109 ARG 5.23 -3.54 1
111 LEU 3.61 -3.32 1
112 VAL 5.03 -3.71 1
113 GLN 4.38 -3.63 1
114 LYS -0.51 -1.85 1
116 LEU -0.31 -1.48 1
117 VAL -2.57 -0.67 1
119 THR -0.31 -2.16 1
127 SER -0.04 -2.23 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11142_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -3.99
_LACS_plot.Line_1_terminator_val_y_1 0.09
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.34
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.07
_LACS_plot.Line_2_terminator_val_x_2 8.44
_LACS_plot.Line_2_terminator_val_y_2 -0.78
_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
86 THR 8.44 -0.34 0
43 ALA 2.21 -1.29 0
98 LYS 5.69 -1.48 0
31 PHE 1.93 0.63 0
10 GLN 3.77 -0.50 1
11 MET 4.70 -0.32 1
12 LEU 2.94 0.03 1
13 LEU 5.24 -0.44 1
14 ASP 4.57 -0.31 1
15 TRP 6.11 -0.25 1
17 ARG 4.47 -0.77 1
18 ALA 3.52 -0.37 1
19 LYS 1.01 -0.46 1
20 THR -0.83 -0.25 1
21 ARG 2.99 -0.38 1
23 TYR 2.08 -0.65 1
24 GLU 0.07 -0.56 1
25 HIS 3.12 -0.62 1
26 VAL -1.39 -0.23 1
27 ASP -0.46 -0.21 1
28 ILE 2.80 -0.78 1
29 GLN -2.84 -0.04 1
30 ASN -1.47 -0.40 1
32 SER -0.89 0.40 1
33 SER 5.01 -0.17 1
34 SER 3.09 -0.04 1
35 TRP 0.65 -0.31 1
36 SER 2.65 0.00 1
37 ASP -0.22 -0.06 1
39 MET 5.42 -0.42 1
40 ALA 5.28 -0.69 1
41 PHE 4.92 -0.06 1
44 LEU 1.99 -0.75 1
45 VAL 4.75 -0.07 1
46 HIS 5.04 -1.37 1
47 ASN 2.79 -0.65 1
48 PHE 1.00 -0.75 1
49 PHE -0.62 0.01 1
51 GLU 0.66 -0.22 1
52 ALA 2.36 -0.40 1
53 PHE -0.74 -0.08 1
54 ASP -1.65 0.33 1
55 TYR 4.83 -0.78 1
57 GLN -0.27 -0.14 1
58 LEU 0.15 0.03 1
59 SER -3.99 -0.14 1
61 GLN 2.36 -0.35 1
62 ASN 0.30 0.11 1
63 ARG 4.85 -0.82 1
64 ARG 5.59 -0.74 1
65 GLN 3.74 -0.52 1
66 ASN 4.49 -0.87 1
67 PHE 4.71 -1.28 1
68 GLU 3.17 -0.49 1
69 VAL 5.48 -0.68 1
70 ALA 3.79 -0.54 1
71 PHE 2.34 0.00 1
72 SER 4.97 -0.14 1
73 SER 5.33 -0.67 1
74 ALA 3.66 -0.27 1
75 GLU 3.38 -0.05 1
76 THR 4.65 -0.62 1
77 HIS 4.41 -0.68 1
78 ALA -2.82 0.17 1
79 ASP 2.70 -0.10 1
82 GLN 3.68 0.19 1
83 LEU 0.64 -0.50 1
84 LEU -2.03 -0.26 1
85 ASP -2.23 -0.30 1
87 GLU 3.98 -0.55 1
88 ASP 3.33 -0.37 1
89 MET 3.97 -0.42 1
90 VAL 3.56 -0.34 1
91 ARG 2.23 -0.30 1
92 LEU -0.96 -0.06 1
93 ARG 2.75 -0.25 1
94 GLU -2.98 0.05 1
96 ASP -0.86 -0.21 1
97 TRP 2.30 0.17 1
100 VAL 6.62 -0.67 1
101 TYR 2.63 -1.20 1
102 THR 6.17 -0.87 1
103 TYR 4.74 -0.65 1
104 ILE 5.47 -0.58 1
105 GLN 4.03 -0.75 1
106 GLU 2.95 -0.18 1
107 PHE 5.49 -0.66 1
108 TYR 5.31 -1.31 1
109 ARG 5.23 -0.72 1
111 LEU 3.61 -0.72 1
112 VAL 5.03 -0.44 1
113 GLN 4.38 -0.42 1
114 LYS -0.51 -0.09 1
116 LEU -0.31 -0.09 1
117 VAL -2.57 -0.05 1
119 THR -0.31 -0.12 1
127 SER -0.04 -0.09 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11142_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -3.99
_LACS_plot.Line_1_terminator_val_y_1 -4.49
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.79
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.43
_LACS_plot.Line_2_terminator_val_x_2 8.44
_LACS_plot.Line_2_terminator_val_y_2 0.75
_LACS_plot.Y_axis_chem_shift_offset 2.66
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
86 THR 8.44 -2.01 0
59 SER -3.99 -1.22 0
71 PHE 2.34 3.00 0
10 GLN 3.77 -0.72 1
11 MET 4.70 1.19 1
12 LEU 2.94 -0.22 1
13 LEU 5.24 -1.01 1
14 ASP 4.57 0.80 1
15 TRP 6.11 -1.10 1
17 ARG 4.47 -0.71 1
18 ALA 3.52 0.86 1
19 LYS 1.01 -3.37 1
20 THR -0.83 -2.40 1
21 ARG 2.99 -1.14 1
23 TYR 2.08 -2.00 1
24 GLU 0.07 -3.03 1
25 HIS 3.12 -2.29 1
26 VAL -1.39 -3.68 1
27 ASP -0.46 -4.01 1
28 ILE 2.80 -3.58 1
29 GLN -2.84 -3.77 1
30 ASN -1.47 -3.51 1
31 PHE 1.93 -5.62 1
32 SER -0.89 -0.93 1
33 SER 5.01 0.70 1
34 SER 3.09 -3.48 1
35 TRP 0.65 -0.87 1
36 SER 2.65 -2.03 1
37 ASP -0.22 -3.35 1
39 MET 5.42 -0.43 1
40 ALA 5.28 -0.99 1
41 PHE 4.92 -0.28 1
43 ALA 2.21 -3.18 1
44 LEU 1.99 -2.43 1
45 VAL 4.75 -0.40 1
46 HIS 5.04 -0.80 1
47 ASN 2.79 -0.36 1
48 PHE 1.00 -3.73 1
49 PHE -0.62 -4.70 1
51 GLU 0.66 -1.00 1
52 ALA 2.36 -2.72 1
53 PHE -0.74 -6.07 1
54 ASP -1.65 -1.35 1
55 TYR 4.83 -1.45 1
57 GLN -0.27 -2.24 1
58 LEU 0.15 -3.04 1
61 GLN 2.36 -1.07 1
62 ASN 0.30 -3.56 1
63 ARG 4.85 -2.18 1
64 ARG 5.59 -1.69 1
65 GLN 3.74 -1.65 1
66 ASN 4.49 -0.28 1
67 PHE 4.71 -2.05 1
68 GLU 3.17 1.85 1
69 VAL 5.48 0.46 1
70 ALA 3.79 -0.42 1
72 SER 4.97 0.66 1
73 SER 5.33 -0.87 1
74 ALA 3.66 0.13 1
75 GLU 3.38 -0.25 1
76 THR 4.65 -0.89 1
77 HIS 4.41 -1.39 1
78 ALA -2.82 -5.20 1
79 ASP 2.70 -4.24 1
82 GLN 3.68 -1.23 1
83 LEU 0.64 -2.62 1
84 LEU -2.03 -5.22 1
85 ASP -2.23 -1.71 1
87 GLU 3.98 0.67 1
88 ASP 3.33 -0.77 1
89 MET 3.97 -0.45 1
90 VAL 3.56 -0.81 1
91 ARG 2.23 -1.78 1
92 LEU -0.96 -2.96 1
93 ARG 2.75 -1.90 1
94 GLU -2.98 -4.45 1
96 ASP -0.86 -0.57 1
97 TRP 2.30 -1.10 1
98 LYS 5.69 1.14 1
100 VAL 6.62 -1.51 1
101 TYR 2.63 -1.67 1
102 THR 6.17 -0.76 1
103 TYR 4.74 -2.19 1
104 ILE 5.47 -0.85 1
105 GLN 4.03 0.03 1
106 GLU 2.95 -1.00 1
107 PHE 5.49 -1.50 1
108 TYR 5.31 -1.55 1
109 ARG 5.23 1.37 1
111 LEU 3.61 0.36 1
112 VAL 5.03 2.53 1
113 GLN 4.38 -0.34 1
114 LYS -0.51 -2.43 1
116 LEU -0.31 -3.35 1
117 VAL -2.57 -4.05 1
127 SER -0.04 -3.04 1
stop_
save_