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 bmr18713_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.26
_LACS_plot.Line_1_terminator_val_y_1 -2.44
_LACS_plot.Line_1_terminator_val_x_2 2.00
_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 -1.31
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 6.24
_LACS_plot.Y_axis_chem_shift_offset -0.11
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 LYS 4.84 0.39 0
10 LEU 3.30 2.58 1
11 VAL 6.11 4.73 1
12 LYS 3.73 2.75 1
13 GLU 3.18 3.05 1
14 VAL 5.67 4.02 1
15 THR 6.40 5.19 1
16 ASP 4.43 3.21 1
17 GLU 3.50 2.45 1
18 PHE 2.74 3.02 1
19 THR 2.43 2.08 1
20 THR 2.60 2.05 1
21 LYS 1.25 0.98 1
22 ASP 0.68 -0.43 1
23 GLN 2.18 1.83 1
24 ASP 0.17 0.36 1
25 LEU -1.16 -0.04 1
26 ARG -4.26 -1.99 1
27 TRP -2.14 -1.39 1
28 GLN -2.28 1.15 1
29 SER 5.75 4.88 1
30 MET 3.14 2.36 1
31 ALA 3.44 2.93 1
32 ILE 4.87 2.19 1
33 MET 3.13 2.27 1
34 ALA 4.84 2.79 1
35 LEU 2.47 2.78 1
36 GLN 5.70 4.45 1
37 GLU 4.83 3.05 1
38 ALA 2.10 2.05 1
39 SER 3.47 4.25 1
40 GLU 5.04 3.29 1
41 ALA 3.38 2.43 1
42 TYR 2.80 2.45 1
43 LEU 2.84 2.43 1
44 VAL 6.60 4.95 1
46 LEU 2.36 2.31 1
47 LEU 2.40 1.85 1
48 GLU 0.74 0.85 1
49 HIS -0.12 0.76 1
50 THR -0.47 0.08 1
51 ASN 0.20 -0.23 1
52 LEU 1.94 1.78 1
53 LEU 1.54 0.91 1
54 ALA 1.03 0.75 1
55 LEU 0.37 0.32 1
56 HIS 0.17 0.42 1
57 LEU 0.24 0.31 1
58 VAL -0.39 -0.28 1
60 ARG 0.64 0.46 1
62 SER 0.15 0.45 1
63 LYS 0.19 -0.08 1
64 ARG 0.30 0.35 1
65 ILE 0.05 0.07 1
66 SER -0.03 0.28 1
68 LEU -0.00 0.31 1
70 TYR 4.30 3.75 1
71 GLU 4.34 3.52 1
72 GLU 1.77 1.75 1
73 VAL 4.61 3.25 1
74 ARG 4.78 3.95 1
75 ALA 3.82 3.04 1
76 VAL 3.83 2.75 1
77 LEU 1.54 2.15 1
78 LYS 5.80 5.15 1
79 SER 4.70 3.95 1
80 PHE 3.10 2.95 1
81 LEU 2.20 2.55 1
82 GLU 4.57 3.95 1
83 SER 3.90 2.85 1
84 VAL 4.42 3.55 1
85 ILE 8.20 5.61 1
86 ARG 5.23 3.98 1
87 ASP 3.52 2.94 1
88 SER -1.38 -1.13 1
89 VAL 5.45 3.79 1
90 THR 6.33 4.75 1
91 TYR 5.34 4.57 1
92 THR 6.20 5.59 1
93 GLU 2.70 1.69 1
94 HIS 4.14 3.25 1
95 ALA -0.36 -0.75 1
97 ARG -5.26 -0.99 1
98 LYS -2.19 -1.70 1
99 THR -1.67 -1.29 1
100 VAL 0.36 -0.25 1
101 THR -4.56 -1.81 1
102 SER 5.50 3.55 1
103 LEU 3.50 2.53 1
104 ASP 3.99 3.94 1
105 VAL 4.40 3.07 1
106 VAL 6.37 5.24 1
107 TYR 4.84 2.25 1
108 ALA 1.62 3.17 1
109 LEU 3.74 2.77 1
110 LYS 3.70 2.65 1
111 ARG 3.24 2.15 1
112 GLN 0.49 -0.15 1
114 ARG 1.34 1.95 1
115 THR -0.23 0.02 1
116 LEU -1.22 -0.34 1
117 TYR 0.19 0.24 1
119 PHE -0.09 0.36 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18713_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.26
_LACS_plot.Line_1_terminator_val_y_1 2.82
_LACS_plot.Line_1_terminator_val_x_2 2.00
_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 0.69
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 -1.95
_LACS_plot.Y_axis_chem_shift_offset -0.11
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 LYS 4.84 -4.45 0
10 LEU 3.30 -0.72 1
11 VAL 6.11 -1.38 1
12 LYS 3.73 -0.98 1
13 GLU 3.18 -0.13 1
14 VAL 5.67 -1.65 1
15 THR 6.40 -1.21 1
16 ASP 4.43 -1.22 1
17 GLU 3.50 -1.05 1
18 PHE 2.74 0.28 1
19 THR 2.43 -0.35 1
20 THR 2.60 -0.55 1
21 LYS 1.25 -0.27 1
22 ASP 0.68 -1.11 1
23 GLN 2.18 -0.35 1
24 ASP 0.17 0.19 1
25 LEU -1.16 1.12 1
26 ARG -4.26 2.27 1
27 TRP -2.14 0.75 1
28 GLN -2.28 3.43 1
29 SER 5.75 -0.87 1
30 MET 3.14 -0.78 1
31 ALA 3.44 -0.51 1
32 ILE 4.87 -2.68 1
33 MET 3.13 -0.86 1
34 ALA 4.84 -2.05 1
35 LEU 2.47 0.31 1
36 GLN 5.70 -1.25 1
37 GLU 4.83 -1.78 1
38 ALA 2.10 -0.05 1
39 SER 3.47 0.78 1
40 GLU 5.04 -1.75 1
41 ALA 3.38 -0.95 1
42 TYR 2.80 -0.35 1
43 LEU 2.84 -0.41 1
44 VAL 6.60 -1.65 1
46 LEU 2.36 -0.05 1
47 LEU 2.40 -0.55 1
48 GLU 0.74 0.11 1
49 HIS -0.12 0.88 1
50 THR -0.47 0.55 1
51 ASN 0.20 -0.43 1
52 LEU 1.94 -0.16 1
53 LEU 1.54 -0.63 1
54 ALA 1.03 -0.28 1
55 LEU 0.37 -0.05 1
56 HIS 0.17 0.25 1
57 LEU 0.24 0.07 1
58 VAL -0.39 0.11 1
60 ARG 0.64 -0.18 1
62 SER 0.15 0.30 1
63 LYS 0.19 -0.27 1
64 ARG 0.30 0.05 1
65 ILE 0.05 0.02 1
66 SER -0.03 0.31 1
68 LEU -0.00 0.31 1
70 TYR 4.30 -0.55 1
71 GLU 4.34 -0.82 1
72 GLU 1.77 -0.02 1
73 VAL 4.61 -1.36 1
74 ARG 4.78 -0.83 1
75 ALA 3.82 -0.78 1
76 VAL 3.83 -1.08 1
77 LEU 1.54 0.61 1
78 LYS 5.80 -0.65 1
79 SER 4.70 -0.75 1
80 PHE 3.10 -0.15 1
81 LEU 2.20 0.35 1
82 GLU 4.57 -0.62 1
83 SER 3.90 -1.05 1
84 VAL 4.42 -0.87 1
85 ILE 8.20 -2.59 1
86 ARG 5.23 -1.25 1
87 ASP 3.52 -0.58 1
88 SER -1.38 0.25 1
89 VAL 5.45 -1.66 1
90 THR 6.33 -1.58 1
91 TYR 5.34 -0.77 1
92 THR 6.20 -0.61 1
93 GLU 2.70 -1.01 1
94 HIS 4.14 -0.89 1
95 ALA -0.36 -0.39 1
97 ARG -5.26 4.27 1
98 LYS -2.19 0.49 1
99 THR -1.67 0.38 1
100 VAL 0.36 -0.61 1
101 THR -4.56 2.75 1
102 SER 5.50 -1.95 1
103 LEU 3.50 -0.97 1
104 ASP 3.99 -0.05 1
105 VAL 4.40 -1.33 1
106 VAL 6.37 -1.13 1
107 TYR 4.84 -2.59 1
108 ALA 1.62 1.55 1
109 LEU 3.74 -0.97 1
110 LYS 3.70 -1.05 1
111 ARG 3.24 -1.09 1
112 GLN 0.49 -0.64 1
114 ARG 1.34 0.61 1
115 THR -0.23 0.25 1
116 LEU -1.22 0.88 1
117 TYR 0.19 0.05 1
119 PHE -0.09 0.45 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18713_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.26
_LACS_plot.Line_1_terminator_val_y_1 0.44
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.19
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 -0.67
_LACS_plot.Y_axis_chem_shift_offset -0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
81 LEU 2.20 -0.78 0
10 LEU 3.30 -0.11 1
11 VAL 6.11 -0.70 1
12 LYS 3.73 -0.32 1
13 GLU 3.18 -0.27 1
14 VAL 5.67 -0.11 1
15 THR 6.40 -0.58 1
16 ASP 4.43 -0.10 1
17 GLU 3.50 -0.26 1
18 PHE 2.74 -0.22 1
19 THR 2.43 0.16 1
20 THR 2.60 -0.09 1
21 LYS 1.25 -0.03 1
22 ASP 0.68 0.09 1
23 GLN 2.18 0.08 1
24 ASP 0.17 0.02 1
25 LEU -1.16 0.26 1
26 ARG -4.26 0.45 1
27 TRP -2.14 -0.05 1
28 GLN -2.28 -0.18 1
29 SER 5.75 -0.19 1
30 MET 3.14 -0.05 1
31 ALA 3.44 -0.31 1
32 ILE 4.87 -0.48 1
33 MET 3.13 -0.21 1
34 ALA 4.84 -0.38 1
35 LEU 2.47 -0.40 1
36 GLN 5.70 -0.62 1
37 GLU 4.83 -0.31 1
38 ALA 2.10 -0.09 1
39 SER 3.47 -0.31 1
40 GLU 5.04 -0.81 1
41 ALA 3.38 -0.31 1
42 TYR 2.80 -0.58 1
43 LEU 2.84 -0.53 1
44 VAL 6.60 -0.67 1
46 LEU 2.36 -0.34 1
47 LEU 2.40 -0.17 1
48 GLU 0.74 -0.21 1
49 HIS -0.12 0.15 1
50 THR -0.47 0.22 1
51 ASN 0.20 0.13 1
52 LEU 1.94 -0.20 1
53 LEU 1.54 -0.09 1
54 ALA 1.03 -0.10 1
55 LEU 0.37 -0.11 1
56 HIS 0.17 -0.06 1
57 LEU 0.24 0.07 1
58 VAL -0.39 0.05 1
60 ARG 0.64 -0.01 1
62 SER 0.15 0.00 1
63 LYS 0.19 0.05 1
64 ARG 0.30 0.05 1
65 ILE 0.05 0.08 1
66 SER -0.03 0.04 1
68 LEU -0.00 0.15 1
70 TYR 4.30 -0.51 1
71 GLU 4.34 -0.18 1
72 GLU 1.77 -0.18 1
73 VAL 4.61 -0.36 1
74 ARG 4.78 -0.69 1
75 ALA 3.82 -0.16 1
76 VAL 3.83 0.00 1
77 LEU 1.54 0.08 1
78 LYS 5.80 -0.41 1
79 SER 4.70 -0.20 1
80 PHE 3.10 -0.37 1
82 GLU 4.57 -0.56 1
83 SER 3.90 -0.30 1
84 VAL 4.42 -0.46 1
85 ILE 8.20 -0.63 1
86 ARG 5.23 -0.54 1
87 ASP 3.52 -0.10 1
88 SER -1.38 -0.30 1
89 VAL 5.45 -0.51 1
90 THR 6.33 -0.34 1
91 TYR 5.34 -0.39 1
92 THR 6.20 -0.67 1
93 GLU 2.70 -0.11 1
94 HIS 4.14 -0.27 1
95 ALA -0.36 0.01 1
96 LYS 4.84 -0.36 1
97 ARG -5.26 0.31 1
98 LYS -2.19 0.09 1
99 THR -1.67 0.42 1
100 VAL 0.36 -0.13 1
101 THR -4.56 0.45 1
102 SER 5.50 -0.56 1
103 LEU 3.50 -0.38 1
104 ASP 3.99 -0.40 1
105 VAL 4.40 -0.09 1
106 VAL 6.37 -0.61 1
107 TYR 4.84 -0.44 1
108 ALA 1.62 -0.30 1
109 LEU 3.74 -0.45 1
110 LYS 3.70 -0.16 1
111 ARG 3.24 -0.20 1
112 GLN 0.49 0.09 1
114 ARG 1.34 0.23 1
115 THR -0.23 -0.09 1
116 LEU -1.22 0.08 1
117 TYR 0.19 0.00 1
119 PHE -0.09 -0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18713_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.26
_LACS_plot.Line_1_terminator_val_y_1 -2.54
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.51
_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 8.19
_LACS_plot.Line_2_terminator_val_y_2 2.92
_LACS_plot.Y_axis_chem_shift_offset 0.31
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
101 THR -4.56 1.76 0
10 LEU 3.30 0.18 1
11 VAL 6.11 1.53 1
12 LYS 3.73 0.19 1
13 GLU 3.18 2.68 1
14 VAL 5.67 2.05 1
15 THR 6.40 3.49 1
16 ASP 4.43 2.15 1
17 GLU 3.50 1.62 1
18 PHE 2.74 1.33 1
19 THR 2.43 0.46 1
20 THR 2.60 0.58 1
21 LYS 1.25 -0.53 1
22 ASP 0.68 -1.22 1
23 GLN 2.18 -0.14 1
24 ASP 0.17 -1.46 1
25 LEU -1.16 -1.05 1
26 ARG -4.26 -2.26 1
27 TRP -2.14 0.18 1
28 GLN -2.28 0.28 1
30 MET 3.14 2.15 1
31 ALA 3.44 0.29 1
32 ILE 4.87 2.01 1
33 MET 3.13 1.67 1
34 ALA 4.84 1.88 1
35 LEU 2.47 2.03 1
36 GLN 5.70 1.85 1
37 GLU 4.83 2.59 1
38 ALA 2.10 1.94 1
39 SER 3.47 -0.11 1
40 GLU 5.04 0.48 1
41 ALA 3.38 2.57 1
42 TYR 2.80 1.32 1
43 LEU 2.84 0.19 1
44 VAL 6.60 1.66 1
46 LEU 2.36 1.92 1
47 LEU 2.40 0.61 1
48 GLU 0.74 0.52 1
49 HIS -0.12 -0.03 1
50 THR -0.47 -1.31 1
51 ASN 0.20 0.24 1
52 LEU 1.94 -0.16 1
53 LEU 1.54 -0.24 1
54 ALA 1.03 -0.18 1
55 LEU 0.37 -0.86 1
56 HIS 0.17 0.05 1
57 LEU 0.24 -1.84 1
58 VAL -0.39 -1.02 1
60 ARG 0.64 0.32 1
62 SER 0.15 -0.33 1
63 LYS 0.19 -0.65 1
64 ARG 0.30 -0.75 1
65 ILE 0.05 -0.52 1
66 SER -0.03 -0.11 1
68 LEU -0.00 -0.15 1
72 GLU 1.77 1.49 1
73 VAL 4.61 0.32 1
74 ARG 4.78 0.56 1
75 ALA 3.82 2.58 1
76 VAL 3.83 2.04 1
77 LEU 1.54 0.33 1
78 LYS 5.80 0.72 1
79 SER 4.70 2.72 1
80 PHE 3.10 0.68 1
81 LEU 2.20 0.68 1
82 GLU 4.57 1.27 1
83 SER 3.90 3.23 1
84 VAL 4.42 2.97 1
85 ILE 8.20 0.15 1
86 ARG 5.23 2.62 1
87 ASP 3.52 1.75 1
88 SER -1.38 0.75 1
89 VAL 5.45 1.14 1
90 THR 6.33 2.71 1
91 TYR 5.34 2.28 1
92 THR 6.20 1.18 1
93 GLU 2.70 4.74 1
94 HIS 4.14 1.29 1
95 ALA -0.36 -2.42 1
96 LYS 4.84 -1.58 1
97 ARG -5.26 -1.05 1
98 LYS -2.19 -2.28 1
99 THR -1.67 -2.53 1
100 VAL 0.36 -0.61 1
102 SER 5.50 0.61 1
103 LEU 3.50 0.18 1
104 ASP 3.99 0.93 1
105 VAL 4.40 1.25 1
106 VAL 6.37 2.22 1
107 TYR 4.84 2.05 1
108 ALA 1.62 2.55 1
109 LEU 3.74 1.69 1
110 LYS 3.70 2.87 1
111 ARG 3.24 0.94 1
112 GLN 0.49 0.06 1
114 ARG 1.34 -0.81 1
115 THR -0.23 -1.24 1
116 LEU -1.22 -1.77 1
117 TYR 0.19 -0.07 1
119 PHE -0.09 -0.52 1
stop_
save_