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 bmr18523_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -1.20
_LACS_plot.Line_1_terminator_val_y_1 -0.26
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.54
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.21
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 5.02
_LACS_plot.Y_axis_chem_shift_offset -0.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
36 LYS 1.92 0.83 0
11 GLU 2.63 2.49 1
12 LYS 2.97 2.39 1
13 ALA 2.95 2.43 1
14 SER 3.44 3.05 1
15 GLU 1.52 1.52 1
16 ALA 0.82 1.38 1
17 LEU -0.31 -0.01 1
18 LYS 0.43 0.42 1
20 ASP 0.29 0.57 1
21 SER 0.76 1.00 1
22 GLN 1.42 1.27 1
23 LYS -0.41 0.20 1
24 SER 0.03 0.07 1
25 TYR 3.97 3.18 1
26 ALA 3.73 3.18 1
27 GLU 3.38 3.00 1
28 GLN 3.37 3.30 1
30 LYS 4.96 4.38 1
31 GLU 3.67 3.10 1
32 TYR 3.66 4.02 1
33 ILE 3.69 3.11 1
34 THR 5.68 4.83 1
35 ASP 2.25 2.93 1
37 ALA 3.50 2.98 1
38 ASP 2.76 2.64 1
39 LYS 2.58 2.24 1
40 VAL 2.81 2.35 1
41 ALA 2.65 2.24 1
43 LYS 0.30 0.71 1
44 VAL 0.44 0.27 1
45 GLN -0.48 0.17 1
47 GLU 0.53 0.96 1
48 ASP 0.37 0.57 1
49 ASN 0.49 0.83 1
50 LYS 0.74 0.79 1
52 VAL 3.01 2.39 1
53 PHE 2.19 1.31 1
54 GLN 2.53 2.18 1
56 VAL 2.92 2.24 1
57 HIS 2.03 2.11 1
58 ASP 1.35 1.38 1
59 SER 1.65 1.79 1
60 ALA 1.23 1.28 1
61 GLU 0.62 0.79 1
62 LYS 0.93 0.86 1
64 LYS 0.76 0.80 1
65 ASP 0.63 0.78 1
66 ASN 0.21 0.57 1
67 ALA 0.58 0.86 1
68 GLU 0.33 0.59 1
70 GLN 0.12 0.45 1
72 GLU -0.79 0.02 1
73 SER -1.11 -0.06 1
74 LEU 3.40 3.08 1
75 ALA 3.36 2.97 1
76 ASP 3.58 3.11 1
77 GLN 2.93 3.04 1
78 ALA 3.36 2.92 1
79 ARG 4.51 3.92 1
80 ASP 3.85 2.97 1
81 TYR 3.34 3.10 1
82 MET 3.47 3.60 1
84 ALA 2.74 2.30 1
85 ALA 3.43 2.95 1
86 LYS 4.85 4.19 1
87 SER 4.02 3.46 1
88 LYS 2.63 1.62 1
89 LEU 3.87 3.25 1
90 ASN 4.02 4.22 1
91 ASP 4.20 3.33 1
92 ALA 3.62 3.17 1
93 VAL 6.05 5.10 1
94 GLU 3.67 3.20 1
95 TYR 3.87 3.83 1
96 VAL 5.43 4.65 1
97 SER 4.06 3.68 1
99 ARG 1.90 1.32 1
100 VAL 2.44 1.95 1
101 HIS 0.63 0.79 1
103 GLU -0.81 0.00 1
104 GLU -0.73 0.01 1
105 ASP -1.20 -0.33 1
107 THR 1.31 1.21 1
108 LYS 0.22 0.21 1
109 LYS 0.82 1.66 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18523_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -1.20
_LACS_plot.Line_1_terminator_val_y_1 0.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.46
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.79
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 -1.02
_LACS_plot.Y_axis_chem_shift_offset -0.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
36 LYS 1.92 -1.09 0
11 GLU 2.63 -0.14 1
12 LYS 2.97 -0.58 1
13 ALA 2.95 -0.52 1
14 SER 3.44 -0.39 1
15 GLU 1.52 0.00 1
16 ALA 0.82 0.56 1
17 LEU -0.31 0.30 1
18 LYS 0.43 -0.01 1
20 ASP 0.29 0.28 1
21 SER 0.76 0.24 1
22 GLN 1.42 -0.15 1
23 LYS -0.41 0.61 1
24 SER 0.03 0.04 1
25 TYR 3.97 -0.79 1
26 ALA 3.73 -0.55 1
27 GLU 3.38 -0.38 1
28 GLN 3.37 -0.07 1
30 LYS 4.96 -0.58 1
31 GLU 3.67 -0.57 1
32 TYR 3.66 0.36 1
33 ILE 3.69 -0.58 1
34 THR 5.68 -0.85 1
35 ASP 2.25 0.68 1
37 ALA 3.50 -0.52 1
38 ASP 2.76 -0.12 1
39 LYS 2.58 -0.34 1
40 VAL 2.81 -0.46 1
41 ALA 2.65 -0.41 1
43 LYS 0.30 0.41 1
44 VAL 0.44 -0.17 1
45 GLN -0.48 0.65 1
47 GLU 0.53 0.43 1
48 ASP 0.37 0.20 1
49 ASN 0.49 0.34 1
50 LYS 0.74 0.05 1
52 VAL 3.01 -0.62 1
53 PHE 2.19 -0.88 1
54 GLN 2.53 -0.35 1
56 VAL 2.92 -0.68 1
57 HIS 2.03 0.08 1
58 ASP 1.35 0.03 1
59 SER 1.65 0.14 1
60 ALA 1.23 0.05 1
61 GLU 0.62 0.17 1
62 LYS 0.93 -0.07 1
64 LYS 0.76 0.04 1
65 ASP 0.63 0.15 1
66 ASN 0.21 0.36 1
67 ALA 0.58 0.28 1
68 GLU 0.33 0.26 1
70 GLN 0.12 0.33 1
72 GLU -0.79 0.81 1
73 SER -1.11 1.05 1
74 LEU 3.40 -0.32 1
75 ALA 3.36 -0.39 1
76 ASP 3.58 -0.47 1
77 GLN 2.93 0.11 1
78 ALA 3.36 -0.44 1
79 ARG 4.51 -0.59 1
80 ASP 3.85 -0.88 1
81 TYR 3.34 -0.24 1
82 MET 3.47 0.13 1
84 ALA 2.74 -0.44 1
85 ALA 3.43 -0.48 1
86 LYS 4.85 -0.66 1
87 SER 4.02 -0.56 1
88 LYS 2.63 -1.01 1
89 LEU 3.87 -0.62 1
90 ASN 4.02 0.20 1
91 ASP 4.20 -0.87 1
92 ALA 3.62 -0.45 1
93 VAL 6.05 -0.95 1
94 GLU 3.67 -0.47 1
95 TYR 3.87 -0.04 1
96 VAL 5.43 -0.78 1
97 SER 4.06 -0.38 1
99 ARG 1.90 -0.58 1
100 VAL 2.44 -0.49 1
101 HIS 0.63 0.16 1
103 GLU -0.81 0.81 1
104 GLU -0.73 0.74 1
105 ASP -1.20 0.87 1
107 THR 1.31 -0.10 1
108 LYS 0.22 -0.01 1
109 LYS 0.82 0.84 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18523_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -1.20
_LACS_plot.Line_1_terminator_val_y_1 0.05
_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 0.11
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 -0.46
_LACS_plot.Y_axis_chem_shift_offset 0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 VAL 5.43 -0.66 0
11 GLU 2.63 -0.27 1
12 LYS 2.97 -0.21 1
13 ALA 2.95 -0.33 1
14 SER 3.44 -0.39 1
15 GLU 1.52 -0.21 1
16 ALA 0.82 -0.08 1
17 LEU -0.31 -0.01 1
18 LYS 0.43 -0.07 1
20 ASP 0.29 -0.08 1
21 SER 0.76 -0.12 1
22 GLN 1.42 -0.09 1
23 LYS -0.41 -0.03 1
24 SER 0.03 0.00 1
25 TYR 3.97 -0.20 1
26 ALA 3.73 -0.29 1
27 GLU 3.38 -0.35 1
28 GLN 3.37 -0.19 1
30 LYS 4.96 -0.39 1
31 GLU 3.67 -0.34 1
32 TYR 3.66 -0.30 1
33 ILE 3.69 -0.40 1
34 THR 5.68 -0.45 1
35 ASP 2.25 -0.16 1
36 LYS 1.92 -0.19 1
37 ALA 3.50 -0.34 1
38 ASP 2.76 -0.26 1
39 LYS 2.58 -0.20 1
40 VAL 2.81 -0.23 1
41 ALA 2.65 -0.23 1
43 LYS 0.30 0.01 1
44 VAL 0.44 0.00 1
45 GLN -0.48 -0.02 1
47 GLU 0.53 -0.16 1
48 ASP 0.37 -0.08 1
49 ASN 0.49 -0.09 1
50 LYS 0.74 -0.04 1
52 VAL 3.01 -0.28 1
53 PHE 2.19 -0.07 1
54 GLN 2.53 -0.20 1
56 VAL 2.92 -0.18 1
57 HIS 2.03 -0.22 1
58 ASP 1.35 -0.11 1
59 SER 1.65 -0.15 1
60 ALA 1.23 -0.10 1
61 GLU 0.62 -0.17 1
62 LYS 0.93 -0.05 1
64 LYS 0.76 -0.04 1
65 ASP 0.63 -0.09 1
66 ASN 0.21 -0.08 1
67 ALA 0.58 -0.05 1
68 GLU 0.33 -0.10 1
70 GLN 0.12 0.03 1
72 GLU -0.79 0.05 1
73 SER -1.11 0.08 1
74 LEU 3.40 -0.17 1
75 ALA 3.36 -0.37 1
76 ASP 3.58 -0.27 1
77 GLN 2.93 -0.23 1
78 ALA 3.36 -0.21 1
79 ARG 4.51 -0.37 1
80 ASP 3.85 -0.17 1
81 TYR 3.34 -0.13 1
82 MET 3.47 -0.27 1
84 ALA 2.74 -0.06 1
85 ALA 3.43 -0.33 1
86 LYS 4.85 -0.47 1
87 SER 4.02 -0.19 1
88 LYS 2.63 0.01 1
89 LEU 3.87 -0.27 1
90 ASN 4.02 -0.37 1
91 ASP 4.20 -0.21 1
92 ALA 3.62 -0.14 1
93 VAL 6.05 -0.55 1
94 GLU 3.67 -0.32 1
95 TYR 3.87 -0.34 1
97 SER 4.06 -0.43 1
99 ARG 1.90 -0.17 1
100 VAL 2.44 -0.20 1
101 HIS 0.63 0.04 1
103 GLU -0.81 -0.06 1
104 GLU -0.73 -0.11 1
105 ASP -1.20 -0.05 1
107 THR 1.31 -0.10 1
108 LYS 0.22 0.00 1
109 LYS 0.82 -0.20 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18523_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -1.20
_LACS_plot.Line_1_terminator_val_y_1 -0.52
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.96
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.87
_LACS_plot.Line_2_terminator_val_x_2 6.04
_LACS_plot.Line_2_terminator_val_y_2 2.80
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
109 LYS 0.82 4.59 0
11 GLU 2.63 1.87 1
12 LYS 2.97 1.94 1
13 ALA 2.95 0.59 1
14 SER 3.44 1.57 1
15 GLU 1.52 0.90 1
16 ALA 0.82 0.11 1
17 LEU -0.31 -1.38 1
18 LYS 0.43 0.06 1
20 ASP 0.29 0.38 1
21 SER 0.76 0.29 1
22 GLN 1.42 0.05 1
23 LYS -0.41 -0.38 1
24 SER 0.03 1.16 1
25 TYR 3.97 1.85 1
26 ALA 3.73 1.20 1
27 GLU 3.38 2.50 1
28 GLN 3.37 3.16 1
30 LYS 4.96 2.37 1
31 GLU 3.67 1.52 1
32 TYR 3.66 2.19 1
33 ILE 3.69 1.18 1
34 THR 5.68 1.87 1
35 ASP 2.25 1.64 1
36 LYS 1.92 1.40 1
37 ALA 3.50 1.01 1
38 ASP 2.76 2.03 1
39 LYS 2.58 2.01 1
40 VAL 2.81 0.39 1
41 ALA 2.65 1.33 1
43 LYS 0.30 0.02 1
44 VAL 0.44 -1.36 1
45 GLN -0.48 -0.53 1
47 GLU 0.53 -0.13 1
48 ASP 0.37 -0.45 1
49 ASN 0.49 -0.24 1
50 LYS 0.74 0.37 1
52 VAL 3.01 0.12 1
53 PHE 2.19 0.77 1
54 GLN 2.53 1.31 1
56 VAL 2.92 0.28 1
57 HIS 2.03 1.04 1
58 ASP 1.35 0.90 1
59 SER 1.65 0.52 1
60 ALA 1.23 0.43 1
61 GLU 0.62 0.47 1
62 LYS 0.93 0.93 1
64 LYS 0.76 0.07 1
65 ASP 0.63 -0.01 1
66 ASN 0.21 0.13 1
67 ALA 0.58 0.14 1
68 GLU 0.33 0.66 1
70 GLN 0.12 0.48 1
72 GLU -0.79 -0.06 1
73 SER -1.11 0.82 1
74 LEU 3.40 0.89 1
75 ALA 3.36 1.32 1
76 ASP 3.58 2.20 1
77 GLN 2.93 2.08 1
78 ALA 3.36 1.29 1
79 ARG 4.51 2.79 1
80 ASP 3.85 2.73 1
81 TYR 3.34 2.01 1
82 MET 3.47 1.90 1
84 ALA 2.74 2.39 1
85 ALA 3.43 1.08 1
86 LYS 4.85 1.87 1
87 SER 4.02 1.89 1
88 LYS 2.63 1.95 1
89 LEU 3.87 0.69 1
90 ASN 4.02 2.52 1
91 ASP 4.20 2.46 1
92 ALA 3.62 1.17 1
93 VAL 6.05 2.49 1
94 GLU 3.67 2.72 1
95 TYR 3.87 2.51 1
96 VAL 5.43 1.45 1
97 SER 4.06 2.33 1
99 ARG 1.90 1.60 1
100 VAL 2.44 0.02 1
101 HIS 0.63 1.11 1
103 GLU -0.81 -0.16 1
104 GLU -0.73 -0.80 1
105 ASP -1.20 0.29 1
107 THR 1.31 0.21 1
108 LYS 0.22 -1.19 1
stop_
save_