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 bmr11331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.28
_LACS_plot.Line_1_terminator_val_y_1 -2.19
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.88
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.82
_LACS_plot.Line_2_terminator_val_x_2 5.39
_LACS_plot.Line_2_terminator_val_y_2 4.42
_LACS_plot.Y_axis_chem_shift_offset -0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 MET -5.76 -0.43 0
11 VAL 0.27 0.09 1
13 ASP 0.34 0.39 1
14 THR 1.41 0.95 1
15 HIS 0.60 1.80 1
16 LEU 0.52 0.08 1
17 ARG 0.66 0.47 1
19 ILE 0.19 0.17 1
20 THR -2.33 -1.19 1
22 LEU 2.63 2.41 1
23 ASP -0.29 1.05 1
24 HIS -0.19 1.57 1
25 GLU 2.50 2.19 1
26 ASN 0.81 0.74 1
27 GLU -4.08 -1.68 1
28 LYS -0.63 -0.87 1
29 VAL 1.73 0.38 1
30 ASN -1.14 -0.13 1
32 TYR -5.09 -2.04 1
34 VAL 2.88 2.42 1
35 SER 5.07 3.96 1
36 ASP -0.89 0.45 1
37 ASP 2.70 1.03 1
38 GLN -5.63 -1.52 1
39 LEU 0.55 -0.08 1
40 ILE -4.51 -0.94 1
42 ALA 3.10 3.01 1
43 LEU 5.40 2.95 1
45 LYS -1.46 -0.74 1
46 LEU 0.73 2.66 1
47 VAL -3.73 -1.72 1
49 ARG 2.63 1.55 1
50 HIS -3.44 -1.80 1
51 ARG 3.02 2.93 1
52 ASP -0.07 -0.95 1
53 HIS -6.28 -1.30 1
54 GLN 0.48 -0.19 1
55 VAL -5.77 -2.90 1
56 ALA -6.00 -2.09 1
57 SER 0.08 0.27 1
58 LEU 2.18 1.32 1
59 ASN 1.46 1.29 1
60 ASP 1.68 1.54 1
61 ARG 1.98 0.92 1
62 PHE 2.11 1.49 1
63 GLU 1.71 1.63 1
64 LYS 2.01 1.31 1
65 LEU 2.00 1.56 1
66 LYS 2.78 2.10 1
67 GLN 1.96 1.57 1
68 THR 2.22 1.96 1
69 LEU 1.76 1.31 1
70 GLU 0.94 0.84 1
71 MET 1.21 0.98 1
72 ASN 0.71 0.52 1
73 LEU 1.03 0.80 1
74 THR 1.44 1.16 1
75 ASN 0.59 0.34 1
76 LEU 0.59 0.53 1
77 VAL 0.65 0.32 1
78 LYS 0.09 -0.02 1
79 SER -0.28 -0.11 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.28
_LACS_plot.Line_1_terminator_val_y_1 4.09
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.11
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.18
_LACS_plot.Line_2_terminator_val_x_2 5.39
_LACS_plot.Line_2_terminator_val_y_2 -0.97
_LACS_plot.Y_axis_chem_shift_offset -0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 MET -5.76 5.33 0
11 VAL 0.27 -0.18 1
13 ASP 0.34 0.05 1
14 THR 1.41 -0.46 1
15 HIS 0.60 1.20 1
16 LEU 0.52 -0.44 1
17 ARG 0.66 -0.19 1
19 ILE 0.19 -0.02 1
20 THR -2.33 1.14 1
22 LEU 2.63 -0.22 1
23 ASP -0.29 1.34 1
24 HIS -0.19 1.76 1
25 GLU 2.50 -0.31 1
26 ASN 0.81 -0.07 1
27 GLU -4.08 2.40 1
28 LYS -0.63 -0.24 1
29 VAL 1.73 -1.35 1
30 ASN -1.14 1.01 1
32 TYR -5.09 3.05 1
34 VAL 2.88 -0.46 1
35 SER 5.07 -1.11 1
36 ASP -0.89 1.34 1
37 ASP 2.70 -1.67 1
38 GLN -5.63 4.11 1
39 LEU 0.55 -0.63 1
40 ILE -4.51 3.57 1
42 ALA 3.10 -0.09 1
43 LEU 5.40 -2.45 1
45 LYS -1.46 0.72 1
46 LEU 0.73 1.93 1
47 VAL -3.73 2.01 1
49 ARG 2.63 -1.08 1
50 HIS -3.44 1.64 1
51 ARG 3.02 -0.09 1
52 ASP -0.07 -0.88 1
53 HIS -6.28 4.98 1
54 GLN 0.48 -0.67 1
55 VAL -5.77 2.87 1
56 ALA -6.00 3.91 1
57 SER 0.08 0.19 1
58 LEU 2.18 -0.86 1
59 ASN 1.46 -0.17 1
60 ASP 1.68 -0.14 1
61 ARG 1.98 -1.06 1
62 PHE 2.11 -0.62 1
63 GLU 1.71 -0.08 1
64 LYS 2.01 -0.70 1
65 LEU 2.00 -0.44 1
66 LYS 2.78 -0.68 1
67 GLN 1.96 -0.39 1
68 THR 2.22 -0.26 1
69 LEU 1.76 -0.45 1
70 GLU 0.94 -0.10 1
71 MET 1.21 -0.23 1
72 ASN 0.71 -0.19 1
73 LEU 1.03 -0.23 1
74 THR 1.44 -0.28 1
75 ASN 0.59 -0.25 1
76 LEU 0.59 -0.06 1
77 VAL 0.65 -0.33 1
78 LYS 0.09 -0.11 1
79 SER -0.28 0.17 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.28
_LACS_plot.Line_1_terminator_val_y_1 0.51
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.16
_LACS_plot.Line_2_terminator_val_x_2 5.39
_LACS_plot.Line_2_terminator_val_y_2 -0.46
_LACS_plot.Y_axis_chem_shift_offset 0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 HIS -3.44 -1.31 0
11 VAL 0.27 -0.06 1
13 ASP 0.34 -0.04 1
14 THR 1.41 -0.18 1
15 HIS 0.60 -0.16 1
16 LEU 0.52 -0.08 1
17 ARG 0.66 -0.06 1
19 ILE 0.19 0.09 1
20 THR -2.33 0.49 1
22 LEU 2.63 -0.26 1
23 ASP -0.29 -0.11 1
24 HIS -0.19 0.01 1
25 GLU 2.50 -0.15 1
26 ASN 0.81 -0.06 1
27 GLU -4.08 0.17 1
28 LYS -0.63 0.23 1
29 VAL 1.73 -0.33 1
30 ASN -1.14 0.02 1
31 MET -5.76 0.35 1
32 TYR -5.09 0.37 1
34 VAL 2.88 -0.66 1
35 SER 5.07 -0.34 1
36 ASP -0.89 0.16 1
37 ASP 2.70 -0.47 1
38 GLN -5.63 0.32 1
39 LEU 0.55 0.54 1
40 ILE -4.51 0.72 1
42 ALA 3.10 -0.27 1
43 LEU 5.40 -0.44 1
45 LYS -1.46 -0.33 1
46 LEU 0.73 -0.10 1
47 VAL -3.73 0.51 1
49 ARG 2.63 -0.22 1
51 ARG 3.02 0.29 1
52 ASP -0.07 0.16 1
53 HIS -6.28 0.05 1
54 GLN 0.48 0.13 1
55 VAL -5.77 1.33 1
56 ALA -6.00 0.50 1
57 SER 0.08 0.15 1
58 LEU 2.18 -0.23 1
59 ASN 1.46 -0.21 1
60 ASP 1.68 -0.14 1
61 ARG 1.98 -0.33 1
62 PHE 2.11 -0.24 1
63 GLU 1.71 -0.31 1
64 LYS 2.01 -0.16 1
65 LEU 2.00 -0.18 1
66 LYS 2.78 -0.31 1
67 GLN 1.96 -0.08 1
68 THR 2.22 -0.15 1
69 LEU 1.76 -0.11 1
70 GLU 0.94 -0.19 1
71 MET 1.21 -0.10 1
72 ASN 0.71 -0.06 1
73 LEU 1.03 0.00 1
74 THR 1.44 -0.11 1
75 ASN 0.59 -0.06 1
76 LEU 0.59 -0.02 1
77 VAL 0.65 -0.06 1
78 LYS 0.09 0.06 1
79 SER -0.28 0.02 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11331_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.00
_LACS_plot.Line_1_terminator_val_y_1 -1.94
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.54
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.76
_LACS_plot.Line_2_terminator_val_x_2 5.39
_LACS_plot.Line_2_terminator_val_y_2 1.66
_LACS_plot.Y_axis_chem_shift_offset 0.10
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
42 ALA 3.10 3.51 0
31 MET -5.76 -4.08 0
37 ASP 2.70 -2.24 0
11 VAL 0.27 0.05 1
13 ASP 0.34 0.68 1
14 THR 1.41 0.36 1
15 HIS 0.60 1.44 1
16 LEU 0.52 -0.42 1
17 ARG 0.66 0.35 1
19 ILE 0.19 -0.51 1
20 THR -2.33 -0.66 1
22 LEU 2.63 0.53 1
23 ASP -0.29 -0.60 1
24 HIS -0.19 -0.29 1
25 GLU 2.50 0.11 1
26 ASN 0.81 -0.31 1
27 GLU -4.08 -0.56 1
28 LYS -0.63 0.80 1
29 VAL 1.73 -0.49 1
30 ASN -1.14 -1.02 1
32 TYR -5.09 -2.64 1
34 VAL 2.88 2.16 1
35 SER 5.07 0.38 1
36 ASP -0.89 -1.66 1
38 GLN -5.63 -1.52 1
39 LEU 0.55 -1.05 1
40 ILE -4.51 -2.68 1
43 LEU 5.40 2.07 1
45 LYS -1.46 -1.53 1
46 LEU 0.73 0.77 1
47 VAL -3.73 0.18 1
49 ARG 2.63 -0.03 1
50 HIS -3.44 1.11 1
51 ARG 3.02 1.47 1
54 GLN 0.48 -1.39 1
55 VAL -5.77 -1.35 1
56 ALA -6.00 -1.54 1
57 SER 0.08 0.49 1
58 LEU 2.18 0.14 1
59 ASN 1.46 0.71 1
60 ASP 1.68 0.75 1
61 ARG 1.98 0.46 1
62 PHE 2.11 0.76 1
63 GLU 1.71 1.17 1
64 LYS 2.01 1.45 1
65 LEU 2.00 0.45 1
66 LYS 2.78 0.84 1
67 GLN 1.96 1.23 1
68 THR 2.22 0.55 1
69 LEU 1.76 0.47 1
70 GLU 0.94 0.71 1
71 MET 1.21 0.05 1
72 ASN 0.71 0.47 1
73 LEU 1.03 0.43 1
74 THR 1.44 -0.10 1
75 ASN 0.59 -0.07 1
76 LEU 0.59 -0.24 1
77 VAL 0.65 -0.13 1
78 LYS 0.09 -0.17 1
79 SER -0.28 -0.11 1
stop_
save_