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 bmr5306_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.04
_LACS_plot.Line_1_terminator_val_y_1 -4.91
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.19
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.81
_LACS_plot.Line_2_terminator_val_x_2 8.91
_LACS_plot.Line_2_terminator_val_y_2 6.92
_LACS_plot.Y_axis_chem_shift_offset 0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 LYS 8.25 2.43 0
11 GLU 2.99 2.03 1
12 LYS 3.15 1.80 1
13 ARG 5.52 4.50 1
14 LYS 4.40 3.05 1
15 LEU 3.87 3.22 1
16 ILE 5.82 4.40 1
17 GLN 4.02 3.87 1
18 GLN 3.70 2.62 1
19 GLN 6.20 4.18 1
20 LEU 4.80 3.22 1
21 VAL 6.02 4.87 1
22 LEU 1.78 2.38 1
23 LEU 3.55 3.84 1
24 LEU 4.28 3.32 1
25 HIS 6.81 5.19 1
26 ALA 3.16 2.69 1
27 HIS 1.50 3.63 1
30 GLN 2.62 1.99 1
31 ARG 3.33 2.00 1
32 ARG 2.40 1.69 1
33 GLU 1.42 1.09 1
34 GLN 1.51 0.74 1
35 ALA 0.66 0.50 1
36 ASN 0.17 -0.10 1
38 GLU -1.07 -0.78 1
39 VAL -7.04 -7.56 1
40 ARG -0.42 -0.50 1
41 GLN -0.05 -0.20 1
43 ASN -1.07 -0.72 1
44 LEU -0.20 -1.16 1
48 ARG 5.83 3.25 1
49 THR 5.50 4.33 1
50 MET 2.50 1.35 1
51 LYS 5.34 4.93 1
52 ASN 4.55 2.72 1
53 VAL 7.19 6.04 1
54 LEU 4.49 3.84 1
55 ASN 3.93 2.72 1
56 HIS 5.87 4.25 1
57 MET -3.06 -2.02 1
58 THR 4.25 3.08 1
59 HIS -0.37 -0.12 1
61 GLN -0.36 -0.51 1
62 SER 2.38 1.58 1
64 LYS 3.78 2.43 1
65 SER 0.50 -0.30 1
67 GLN -0.05 -0.51 1
68 VAL 4.13 2.05 1
69 ALA 3.16 1.44 1
70 HIS 1.82 2.07 1
72 ALA 4.10 2.69 1
73 SER 3.63 1.58 1
74 SER 6.75 5.33 1
75 ARG 4.90 4.50 1
76 GLN 5.79 3.24 1
77 ILE 5.82 5.65 1
78 ILE 5.51 4.40 1
79 SER 5.50 4.70 1
80 HIS 7.43 5.50 1
81 TRP 2.41 2.38 1
82 LYS 2.21 1.49 1
83 ASN -2.32 0.22 1
85 THR -0.75 -1.30 1
87 HIS 3.06 2.69 1
88 ASP -0.91 -2.76 1
91 VAL 3.83 3.93 1
93 LEU 8.92 6.47 1
95 LEU 0.73 0.40 1
96 LYS 0.65 0.55 1
97 ASN 0.17 -0.10 1
98 ALA 0.66 0.50 1
100 ASP 0.33 0.05 1
101 LYS 0.65 1.18 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5306_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.04
_LACS_plot.Line_1_terminator_val_y_1 2.13
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.81
_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 8.91
_LACS_plot.Line_2_terminator_val_y_2 -1.99
_LACS_plot.Y_axis_chem_shift_offset 0.18
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 LYS 8.25 -5.82 0
11 GLU 2.99 -0.96 1
12 LYS 3.15 -1.35 1
13 ARG 5.52 -1.02 1
14 LYS 4.40 -1.35 1
15 LEU 3.87 -0.65 1
16 ILE 5.82 -1.42 1
17 GLN 4.02 -0.15 1
18 GLN 3.70 -1.08 1
19 GLN 6.20 -2.02 1
20 LEU 4.80 -1.58 1
21 VAL 6.02 -1.15 1
22 LEU 1.78 0.60 1
23 LEU 3.55 0.29 1
24 LEU 4.28 -0.96 1
25 HIS 6.81 -1.62 1
26 ALA 3.16 -0.47 1
27 HIS 1.50 2.13 1
30 GLN 2.62 -0.63 1
31 ARG 3.33 -1.33 1
32 ARG 2.40 -0.71 1
33 GLU 1.42 -0.33 1
34 GLN 1.51 -0.77 1
35 ALA 0.66 -0.16 1
36 ASN 0.17 -0.27 1
38 GLU -1.07 0.29 1
39 VAL -7.04 -0.52 1
40 ARG -0.42 -0.08 1
41 GLN -0.05 -0.15 1
43 ASN -1.07 0.35 1
44 LEU -0.20 -0.96 1
48 ARG 5.83 -2.58 1
49 THR 5.50 -1.17 1
50 MET 2.50 -1.15 1
51 LYS 5.34 -0.41 1
52 ASN 4.55 -1.83 1
53 VAL 7.19 -1.15 1
54 LEU 4.49 -0.65 1
55 ASN 3.93 -1.21 1
56 HIS 5.87 -1.62 1
57 MET -3.06 1.04 1
58 THR 4.25 -1.17 1
59 HIS -0.37 0.25 1
61 GLN -0.36 -0.15 1
62 SER 2.38 -0.80 1
64 LYS 3.78 -1.35 1
65 SER 0.50 -0.80 1
67 GLN -0.05 -0.46 1
68 VAL 4.13 -2.08 1
69 ALA 3.16 -1.72 1
70 HIS 1.82 0.25 1
72 ALA 4.10 -1.41 1
73 SER 3.63 -2.05 1
74 SER 6.75 -1.42 1
75 ARG 4.90 -0.40 1
76 GLN 5.79 -2.55 1
77 ILE 5.82 -0.17 1
78 ILE 5.51 -1.11 1
79 SER 5.50 -0.80 1
80 HIS 7.43 -1.93 1
81 TRP 2.41 -0.03 1
82 LYS 2.21 -0.72 1
83 ASN -2.32 2.54 1
85 THR -0.75 -0.55 1
87 HIS 3.06 -0.37 1
88 ASP -0.91 -1.85 1
91 VAL 3.83 0.10 1
93 LEU 8.92 -2.45 1
95 LEU 0.73 -0.33 1
96 LYS 0.65 -0.10 1
97 ASN 0.17 -0.27 1
98 ALA 0.66 -0.16 1
100 ASP 0.33 -0.28 1
101 LYS 0.65 0.53 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5306_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.04
_LACS_plot.Line_1_terminator_val_y_1 0.59
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.19
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.13
_LACS_plot.Line_2_terminator_val_x_2 8.91
_LACS_plot.Line_2_terminator_val_y_2 -0.74
_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
57 MET -3.06 -0.68 0
11 GLU 2.99 -0.21 1
12 LYS 3.15 -0.34 1
13 ARG 5.52 -0.69 1
14 LYS 4.40 -0.18 1
15 LEU 3.87 -0.26 1
16 ILE 5.82 -0.79 1
17 GLN 4.02 -0.54 1
18 GLN 3.70 -0.39 1
19 GLN 6.20 -0.54 1
20 LEU 4.80 -0.39 1
21 VAL 6.02 -0.68 1
22 LEU 1.78 -0.24 1
23 LEU 3.55 -0.48 1
24 LEU 4.28 -0.47 1
25 HIS 6.81 -0.63 1
26 ALA 3.16 -0.33 1
27 HIS 1.50 -0.35 1
28 LYS 8.25 -0.58 1
30 GLN 2.62 -0.18 1
31 ARG 3.33 -0.30 1
32 ARG 2.40 -0.20 1
33 GLU 1.42 -0.19 1
34 GLN 1.51 -0.12 1
35 ALA 0.66 -0.04 1
36 ASN 0.17 -0.04 1
38 GLU -1.07 -0.05 1
39 VAL -7.04 -0.03 1
40 ARG -0.42 0.00 1
41 GLN -0.05 -0.11 1
43 ASN -1.07 0.18 1
44 LEU -0.20 0.05 1
48 ARG 5.83 -0.43 1
49 THR 5.50 -0.39 1
50 MET 2.50 0.04 1
51 LYS 5.34 -0.45 1
52 ASN 4.55 -0.18 1
53 VAL 7.19 -0.37 1
54 LEU 4.49 -0.43 1
55 ASN 3.93 -0.28 1
56 HIS 5.87 -0.33 1
58 THR 4.25 -0.66 1
59 HIS -0.37 0.07 1
61 GLN -0.36 0.43 1
62 SER 2.38 0.02 1
64 LYS 3.78 -0.20 1
65 SER 0.50 -0.01 1
67 GLN -0.05 0.10 1
68 VAL 4.13 -0.53 1
69 ALA 3.16 -0.63 1
70 HIS 1.82 -0.32 1
72 ALA 4.10 0.00 1
73 SER 3.63 -0.40 1
74 SER 6.75 -0.50 1
75 ARG 4.90 -0.65 1
76 GLN 5.79 -0.48 1
77 ILE 5.82 -0.63 1
78 ILE 5.51 -0.51 1
79 SER 5.50 -0.24 1
80 HIS 7.43 -0.75 1
81 TRP 2.41 -0.20 1
82 LYS 2.21 -0.55 1
83 ASN -2.32 -0.18 1
85 THR -0.75 0.16 1
87 HIS 3.06 -0.33 1
88 ASP -0.91 -0.12 1
91 VAL 3.83 -0.39 1
93 LEU 8.92 -0.45 1
95 LEU 0.73 0.00 1
96 LYS 0.65 0.07 1
97 ASN 0.17 -0.01 1
98 ALA 0.66 0.00 1
100 ASP 0.33 -0.01 1
101 LYS 0.65 -0.15 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5306_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.04
_LACS_plot.Line_1_terminator_val_y_1 -1.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.93
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.06
_LACS_plot.Line_2_terminator_val_x_2 8.91
_LACS_plot.Line_2_terminator_val_y_2 2.47
_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
101 LYS 0.65 4.76 0
39 VAL -7.04 -0.42 0
11 GLU 2.99 2.82 1
12 LYS 3.15 2.26 1
13 ARG 5.52 1.18 1
14 LYS 4.40 2.28 1
15 LEU 3.87 2.75 1
16 ILE 5.82 0.42 1
17 GLN 4.02 1.56 1
18 GLN 3.70 2.17 1
19 GLN 6.20 1.35 1
20 LEU 4.80 -0.12 1
21 VAL 6.02 3.13 1
22 LEU 1.78 1.15 1
23 LEU 3.55 0.35 1
24 LEU 4.28 2.57 1
25 HIS 6.81 2.56 1
26 ALA 3.16 1.11 1
27 HIS 1.50 2.91 1
28 LYS 8.25 1.18 1
30 GLN 2.62 1.37 1
31 ARG 3.33 2.03 1
32 ARG 2.40 1.33 1
33 GLU 1.42 1.27 1
34 GLN 1.51 0.85 1
35 ALA 0.66 0.12 1
36 ASN 0.17 0.42 1
38 GLU -1.07 -0.52 1
40 ARG -0.42 -0.58 1
41 GLN -0.05 -0.86 1
43 ASN -1.07 1.40 1
48 ARG 5.83 2.46 1
49 THR 5.50 1.86 1
50 MET 2.50 2.41 1
51 LYS 5.34 2.29 1
52 ASN 4.55 3.99 1
53 VAL 7.19 1.51 1
54 LEU 4.49 1.15 1
55 ASN 3.93 2.36 1
56 HIS 5.87 3.62 1
57 MET -3.06 2.58 1
58 THR 4.25 -0.63 1
59 HIS -0.37 -1.12 1
61 GLN -0.36 0.68 1
62 SER 2.38 -0.20 1
64 LYS 3.78 -0.20 1
65 SER 0.50 -0.89 1
67 GLN -0.05 0.28 1
68 VAL 4.13 0.77 1
69 ALA 3.16 -0.59 1
70 HIS 1.82 1.82 1
72 ALA 4.10 4.35 1
73 SER 3.63 2.27 1
74 SER 6.75 0.52 1
75 ARG 4.90 4.27 1
76 GLN 5.79 1.79 1
77 ILE 5.82 1.41 1
78 ILE 5.51 1.19 1
79 SER 5.50 1.43 1
80 HIS 7.43 1.60 1
81 TRP 2.41 1.52 1
82 LYS 2.21 0.03 1
83 ASN -2.32 -1.82 1
87 HIS 3.06 0.53 1
88 ASP -0.91 -1.06 1
91 VAL 3.83 0.24 1
93 LEU 8.92 0.38 1
95 LEU 0.73 0.60 1
96 LYS 0.65 0.12 1
97 ASN 0.17 -0.21 1
98 ALA 0.66 0.30 1
100 ASP 0.33 -1.00 1
stop_
save_