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 bmr5392_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -1.06
_LACS_plot.Line_1_terminator_val_y_1 -0.59
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.67
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.49
_LACS_plot.Line_2_terminator_val_x_2 7.14
_LACS_plot.Line_2_terminator_val_y_2 5.32
_LACS_plot.Y_axis_chem_shift_offset 0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 LYS 5.24 1.06 0
10 ALA 4.12 3.75 1
11 GLU 2.82 1.72 1
12 GLU 1.59 1.79 1
13 ILE 4.60 4.26 1
14 TRP 6.61 4.29 1
15 GLN 4.63 2.96 1
16 GLN 3.83 2.29 1
17 SER 2.42 2.28 1
18 VAL -0.77 -0.55 1
19 ILE 5.20 3.13 1
21 ASP 2.86 2.66 1
22 TYR 5.18 5.10 1
23 LEU 5.01 3.39 1
24 ALA 3.96 2.38 1
25 ARG 3.34 2.67 1
26 PHE 2.36 0.35 1
28 ASN 3.17 1.44 1
29 ASP -0.24 -0.85 1
30 ARG 4.04 3.44 1
31 VAL 5.81 4.11 1
32 LYS 3.46 3.14 1
33 ALA 4.06 2.84 1
34 LEU 4.25 2.75 1
35 LYS 3.83 2.26 1
36 ALA 2.70 2.50 1
37 MET 4.46 4.81 1
38 GLU 3.62 3.25 1
39 MET 4.09 3.05 1
40 THR 5.85 4.87 1
41 TRP 3.30 2.61 1
42 ASN 3.29 2.39 1
43 ASN -0.93 -0.31 1
44 MET 0.34 1.35 1
45 GLU -0.23 -0.06 1
46 LYS 5.35 4.15 1
47 LYS 4.65 3.17 1
48 GLU 1.48 1.45 1
49 LYS 4.27 3.38 1
50 LEU 3.68 2.91 1
51 MET 4.79 3.23 1
52 TRP 1.72 1.37 1
53 ILE 5.01 4.43 1
54 LYS 4.70 3.50 1
55 LYS 4.17 3.45 1
56 ALA 4.41 2.74 1
57 ALA 4.55 2.71 1
58 GLU 3.23 2.26 1
59 ASP 2.59 2.78 1
60 GLN 5.14 3.04 1
61 LYS 4.04 2.71 1
62 ARG 7.14 3.20 1
63 TYR 4.26 3.98 1
64 GLU 3.33 2.76 1
65 ARG 4.74 3.28 1
66 GLU 3.32 3.10 1
67 LEU 2.94 2.42 1
68 SER 3.56 2.68 1
69 GLU 1.33 0.99 1
70 MET 1.71 1.46 1
71 ARG 0.30 -0.14 1
72 ALA 0.02 -0.17 1
75 ALA -0.27 -0.38 1
76 ALA -0.12 -0.24 1
77 THR -0.01 -0.13 1
78 ASN 0.42 0.15 1
79 SER 0.43 0.15 1
80 SER 0.60 0.27 1
81 LYS 0.59 0.03 1
82 LYS 0.47 -0.02 1
83 LEU 0.04 -0.28 1
84 GLU -1.06 -0.58 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5392_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -1.06
_LACS_plot.Line_1_terminator_val_y_1 0.47
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.32
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.51
_LACS_plot.Line_2_terminator_val_x_2 7.14
_LACS_plot.Line_2_terminator_val_y_2 -1.82
_LACS_plot.Y_axis_chem_shift_offset 0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 LYS 5.24 -4.18 0
10 ALA 4.12 -0.37 1
11 GLU 2.82 -1.10 1
12 GLU 1.59 0.20 1
13 ILE 4.60 -0.34 1
14 TRP 6.61 -2.32 1
15 GLN 4.63 -1.67 1
16 GLN 3.83 -1.54 1
17 SER 2.42 -0.14 1
18 VAL -0.77 0.22 1
19 ILE 5.20 -2.07 1
21 ASP 2.86 -0.20 1
22 TYR 5.18 -0.08 1
23 LEU 5.01 -1.62 1
24 ALA 3.96 -1.58 1
25 ARG 3.34 -0.67 1
26 PHE 2.36 -2.01 1
28 ASN 3.17 -1.73 1
29 ASP -0.24 -0.61 1
30 ARG 4.04 -0.60 1
31 VAL 5.81 -1.70 1
32 LYS 3.46 -0.32 1
33 ALA 4.06 -1.22 1
34 LEU 4.25 -1.50 1
35 LYS 3.83 -1.57 1
36 ALA 2.70 -0.20 1
37 MET 4.46 0.35 1
38 GLU 3.62 -0.37 1
39 MET 4.09 -1.04 1
40 THR 5.85 -0.98 1
41 TRP 3.30 -0.69 1
42 ASN 3.29 -0.90 1
43 ASN -0.93 0.62 1
44 MET 0.34 1.01 1
45 GLU -0.23 0.17 1
46 LYS 5.35 -1.20 1
47 LYS 4.65 -1.48 1
48 GLU 1.48 -0.03 1
49 LYS 4.27 -0.89 1
50 LEU 3.68 -0.77 1
51 MET 4.79 -1.56 1
52 TRP 1.72 -0.35 1
53 ILE 5.01 -0.58 1
54 LYS 4.70 -1.20 1
55 LYS 4.17 -0.72 1
56 ALA 4.41 -1.67 1
57 ALA 4.55 -1.84 1
58 GLU 3.23 -0.97 1
59 ASP 2.59 0.19 1
60 GLN 5.14 -2.10 1
61 LYS 4.04 -1.33 1
62 ARG 7.14 -3.94 1
63 TYR 4.26 -0.28 1
64 GLU 3.33 -0.57 1
65 ARG 4.74 -1.46 1
66 GLU 3.32 -0.22 1
67 LEU 2.94 -0.52 1
68 SER 3.56 -0.88 1
69 GLU 1.33 -0.34 1
70 MET 1.71 -0.25 1
71 ARG 0.30 -0.44 1
72 ALA 0.02 -0.19 1
75 ALA -0.27 -0.11 1
76 ALA -0.12 -0.12 1
77 THR -0.01 -0.12 1
78 ASN 0.42 -0.27 1
79 SER 0.43 -0.28 1
80 SER 0.60 -0.33 1
81 LYS 0.59 -0.56 1
82 LYS 0.47 -0.49 1
83 LEU 0.04 -0.32 1
84 GLU -1.06 0.48 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5392_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -1.06
_LACS_plot.Line_1_terminator_val_y_1 -0.04
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.01
_LACS_plot.Line_2_terminator_val_x_2 7.14
_LACS_plot.Line_2_terminator_val_y_2 -0.56
_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
11 GLU 2.82 -2.30 0
10 ALA 4.12 -0.40 1
12 GLU 1.59 -0.59 1
13 ILE 4.60 -0.58 1
14 TRP 6.61 -2.05 1
15 GLN 4.63 -1.53 1
16 GLN 3.83 -0.54 1
17 SER 2.42 -0.13 1
18 VAL -0.77 0.56 1
19 ILE 5.20 -0.06 1
21 ASP 2.86 -0.21 1
22 TYR 5.18 -0.55 1
23 LEU 5.01 -0.50 1
24 ALA 3.96 -0.18 1
25 ARG 3.34 -0.51 1
26 PHE 2.36 0.01 1
27 LYS 5.24 -0.40 1
28 ASN 3.17 -0.74 1
29 ASP -0.24 0.02 1
30 ARG 4.04 -0.68 1
31 VAL 5.81 -0.62 1
32 LYS 3.46 -0.67 1
33 ALA 4.06 -0.62 1
34 LEU 4.25 -0.39 1
35 LYS 3.83 -0.27 1
36 ALA 2.70 -0.39 1
37 MET 4.46 -0.78 1
38 GLU 3.62 -0.29 1
39 MET 4.09 -0.29 1
40 THR 5.85 -0.43 1
41 TRP 3.30 -1.09 1
42 ASN 3.29 -0.53 1
43 ASN -0.93 -0.08 1
44 MET 0.34 -0.56 1
45 GLU -0.23 -0.25 1
46 LYS 5.35 -0.65 1
47 LYS 4.65 -0.36 1
48 GLU 1.48 -0.16 1
49 LYS 4.27 -0.28 1
50 LEU 3.68 -0.32 1
51 MET 4.79 -0.49 1
52 TRP 1.72 -0.16 1
53 ILE 5.01 -0.30 1
54 LYS 4.70 -0.08 1
55 LYS 4.17 -0.17 1
56 ALA 4.41 -0.15 1
57 ALA 4.55 -0.02 1
58 GLU 3.23 -0.26 1
59 ASP 2.59 0.23 1
60 GLN 5.14 -0.33 1
61 LYS 4.04 -0.21 1
62 ARG 7.14 -0.36 1
63 TYR 4.26 -0.50 1
64 GLU 3.33 -0.68 1
65 ARG 4.74 -0.27 1
66 GLU 3.32 -0.44 1
67 LEU 2.94 -0.51 1
68 SER 3.56 -0.31 1
69 GLU 1.33 -0.23 1
70 MET 1.71 -0.22 1
71 ARG 0.30 -0.08 1
72 ALA 0.02 -0.07 1
75 ALA -0.27 -0.09 1
76 ALA -0.12 0.01 1
77 THR -0.01 -0.07 1
78 ASN 0.42 -0.03 1
79 SER 0.43 -0.06 1
80 SER 0.60 -0.08 1
81 LYS 0.59 -0.07 1
82 LYS 0.47 -0.10 1
83 LEU 0.04 -0.07 1
84 GLU -1.06 -0.17 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5392_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -1.06
_LACS_plot.Line_1_terminator_val_y_1 -0.36
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 1.05
_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 7.14
_LACS_plot.Line_2_terminator_val_y_2 3.23
_LACS_plot.Y_axis_chem_shift_offset -0.16
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 VAL 5.81 -3.12 0
10 ALA 4.12 0.18 1
11 GLU 2.82 1.42 1
12 GLU 1.59 2.21 1
13 ILE 4.60 2.32 1
14 TRP 6.61 2.80 1
15 GLN 4.63 1.85 1
16 GLN 3.83 1.42 1
17 SER 2.42 1.28 1
18 VAL -0.77 1.90 1
19 ILE 5.20 -0.53 1
21 ASP 2.86 2.75 1
22 TYR 5.18 2.59 1
23 LEU 5.01 1.68 1
24 ALA 3.96 3.65 1
25 ARG 3.34 1.19 1
26 PHE 2.36 -0.64 1
27 LYS 5.24 -0.44 1
28 ASN 3.17 -1.54 1
29 ASP -0.24 -0.92 1
30 ARG 4.04 1.15 1
32 LYS 3.46 2.69 1
33 ALA 4.06 0.66 1
34 LEU 4.25 2.25 1
35 LYS 3.83 2.53 1
36 ALA 2.70 3.27 1
37 MET 4.46 1.82 1
38 GLU 3.62 2.13 1
39 MET 4.09 2.28 1
40 THR 5.85 2.11 1
41 TRP 3.30 2.32 1
42 ASN 3.29 1.36 1
43 ASN -0.93 -0.85 1
44 MET 0.34 -0.33 1
45 GLU -0.23 1.02 1
46 LYS 5.35 2.08 1
47 LYS 4.65 1.66 1
48 GLU 1.48 1.28 1
49 LYS 4.27 2.05 1
50 LEU 3.68 1.19 1
51 MET 4.79 1.71 1
52 TRP 1.72 2.18 1
53 ILE 5.01 3.03 1
54 LYS 4.70 2.93 1
55 LYS 4.17 3.36 1
56 ALA 4.41 2.49 1
57 ALA 4.55 3.67 1
58 GLU 3.23 2.77 1
59 ASP 2.59 1.81 1
60 GLN 5.14 1.98 1
61 LYS 4.04 2.47 1
62 ARG 7.14 1.93 1
63 TYR 4.26 0.29 1
64 GLU 3.33 3.13 1
65 ARG 4.74 2.84 1
66 GLU 3.32 3.37 1
67 LEU 2.94 1.80 1
68 SER 3.56 1.90 1
69 GLU 1.33 1.02 1
70 MET 1.71 0.21 1
71 ARG 0.30 -0.75 1
75 ALA -0.27 -0.14 1
76 ALA -0.12 0.24 1
77 THR -0.01 -0.23 1
78 ASN 0.42 0.21 1
79 SER 0.43 0.18 1
80 SER 0.60 0.02 1
81 LYS 0.59 -0.15 1
82 LYS 0.47 -0.25 1
83 LEU 0.04 -0.57 1
84 GLU -1.06 -0.65 1
stop_
save_