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 bmr15438_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.20
_LACS_plot.Line_1_terminator_val_y_1 -3.40
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.43
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.78
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 4.56
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
74 ASN -1.81 1.90 0
10 ALA 1.95 1.24 1
11 ASN 0.45 -0.14 1
12 LYS 3.07 1.84 1
14 ARG 2.25 -0.50 1
15 GLU 6.51 3.98 1
17 LYS -0.31 -0.65 1
19 MET -1.80 0.10 1
20 ILE -2.38 -2.67 1
21 SER -1.93 -1.63 1
22 LEU 1.95 0.79 1
23 VAL 3.51 2.48 1
24 ASP -2.35 -1.82 1
26 GLU -2.47 -2.07 1
27 GLU -0.33 0.07 1
29 LYS 3.07 1.84 1
31 THR -5.48 -1.81 1
32 VAL -3.91 -2.01 1
33 TYR 2.19 0.73 1
34 LEU -0.00 -1.16 1
36 ASP 2.90 1.57 1
38 TRP -0.75 -0.44 1
39 SER -4.86 -1.24 1
40 ALA -8.20 -3.44 1
41 LYS -4.73 -1.67 1
42 LYS -1.02 -0.11 1
43 ASP -2.16 -1.82 1
45 ALA -0.19 -0.71 1
46 THR -1.37 -0.24 1
47 ILE -0.81 -2.67 1
48 VAL -1.17 -1.62 1
49 ILE -1.40 -0.52 1
50 SER -1.89 -0.90 1
52 ALA 2.55 2.03 1
53 GLU -5.01 -2.07 1
54 GLU -0.33 -0.12 1
55 THR -5.47 -2.98 1
56 ALA 3.52 2.42 1
57 LEU -0.98 -0.18 1
58 PHE -1.89 -2.20 1
59 LYS -5.72 -2.85 1
60 ALA 0.20 -0.12 1
61 LYS -4.54 -1.67 1
63 ILE -5.11 -2.28 1
64 SER 0.62 -0.45 1
65 ALA 4.11 2.82 1
66 ALA 3.51 2.22 1
67 HIS -0.22 2.06 1
68 LEU 4.49 2.75 1
69 LYS 4.63 3.79 1
70 ILE 4.26 3.58 1
71 ILE 5.24 4.75 1
72 ALA 3.52 2.03 1
73 LYS 1.68 1.42 1
75 LEU -2.63 -0.47 1
76 LEU 0.44 0.65 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15438_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.20
_LACS_plot.Line_1_terminator_val_y_1 4.80
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.56
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.22
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 -1.94
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
74 ASN -1.81 3.71 0
10 ALA 1.95 -0.71 1
11 ASN 0.45 -0.59 1
12 LYS 3.07 -1.23 1
14 ARG 2.25 -2.75 1
15 GLU 6.51 -2.53 1
17 LYS -0.31 -0.34 1
19 MET -1.80 1.90 1
20 ILE -2.38 -0.29 1
21 SER -1.93 0.30 1
22 LEU 1.95 -1.16 1
23 VAL 3.51 -1.03 1
24 ASP -2.35 0.53 1
26 GLU -2.47 0.40 1
27 GLU -0.33 0.40 1
29 LYS 3.07 -1.23 1
31 THR -5.48 3.67 1
32 VAL -3.91 1.90 1
33 TYR 2.19 -1.46 1
34 LEU -0.00 -1.16 1
36 ASP 2.90 -1.33 1
38 TRP -0.75 0.31 1
39 SER -4.86 3.62 1
40 ALA -8.20 4.76 1
41 LYS -4.73 3.06 1
42 LYS -1.02 0.91 1
43 ASP -2.16 0.34 1
45 ALA -0.19 -0.52 1
46 THR -1.37 1.13 1
47 ILE -0.81 -1.86 1
48 VAL -1.17 -0.45 1
49 ILE -1.40 0.88 1
50 SER -1.89 0.99 1
52 ALA 2.55 -0.52 1
53 GLU -5.01 2.94 1
54 GLU -0.33 0.21 1
55 THR -5.47 2.49 1
56 ALA 3.52 -1.10 1
57 LEU -0.98 0.80 1
58 PHE -1.89 -0.31 1
59 LYS -5.72 2.87 1
60 ALA 0.20 -0.32 1
61 LYS -4.54 2.87 1
63 ILE -5.11 2.83 1
64 SER 0.62 -1.07 1
65 ALA 4.11 -1.29 1
66 ALA 3.51 -1.29 1
67 HIS -0.22 2.28 1
68 LEU 4.49 -1.74 1
69 LYS 4.63 -0.84 1
70 ILE 4.26 -0.68 1
71 ILE 5.24 -0.49 1
72 ALA 3.52 -1.49 1
73 LYS 1.68 -0.26 1
75 LEU -2.63 2.16 1
76 LEU 0.44 0.21 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15438_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.20
_LACS_plot.Line_1_terminator_val_y_1 0.75
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.17
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 -0.60
_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
40 ALA -8.20 -0.27 0
10 ALA 1.95 -0.21 1
11 ASN 0.45 -0.86 1
12 LYS 3.07 -0.07 1
14 ARG 2.25 -0.09 1
15 GLU 6.51 -0.50 1
17 LYS -0.31 0.31 1
19 MET -1.80 -0.13 1
20 ILE -2.38 0.12 1
21 SER -1.93 -0.02 1
22 LEU 1.95 -0.19 1
23 VAL 3.51 -0.38 1
24 ASP -2.35 0.12 1
26 GLU -2.47 0.10 1
27 GLU -0.33 -0.10 1
29 LYS 3.07 -0.21 1
31 THR -5.48 1.12 1
32 VAL -3.91 0.13 1
33 TYR 2.19 -0.37 1
34 LEU -0.00 0.01 1
36 ASP 2.90 -0.29 1
38 TRP -0.75 0.08 1
39 SER -4.86 0.39 1
41 LYS -4.73 0.54 1
42 LYS -1.02 0.42 1
43 ASP -2.16 0.22 1
45 ALA -0.19 0.24 1
46 THR -1.37 -0.40 1
47 ILE -0.81 0.18 1
48 VAL -1.17 0.53 1
49 ILE -1.40 0.75 1
50 SER -1.89 0.05 1
52 ALA 2.55 -0.47 1
53 GLU -5.01 -0.06 1
54 GLU -0.33 0.30 1
55 THR -5.47 0.51 1
56 ALA 3.52 -0.30 1
57 LEU -0.98 -0.05 1
58 PHE -1.89 0.65 1
59 LYS -5.72 0.60 1
60 ALA 0.20 0.74 1
61 LYS -4.54 0.60 1
63 ILE -5.11 0.28 1
64 SER 0.62 -0.12 1
65 ALA 4.11 -0.37 1
66 ALA 3.51 -0.27 1
67 HIS -0.22 -0.47 1
68 LEU 4.49 -0.41 1
69 LYS 4.63 -0.47 1
70 ILE 4.26 -0.43 1
71 ILE 5.24 -0.83 1
72 ALA 3.52 -0.37 1
73 LYS 1.68 -0.07 1
74 ASN -1.81 0.22 1
75 LEU -2.63 0.32 1
76 LEU 0.44 -0.14 1
stop_
save_