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 bmr15948_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.10
_LACS_plot.Line_1_terminator_val_y_1 -3.11
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.80
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.44
_LACS_plot.Line_2_terminator_val_x_2 6.33
_LACS_plot.Line_2_terminator_val_y_2 4.75
_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
39 PHE -8.10 -1.98 0
37 HIS 3.56 5.79 0
10 GLU -0.18 0.00 1
11 GLU -0.56 -0.12 1
12 ASP 0.08 0.04 1
13 THR 0.07 -0.10 1
14 GLU -0.65 -0.26 1
15 GLU -1.02 -0.22 1
16 LYS -3.74 -1.66 1
18 THR 4.87 3.53 1
19 ILE 3.77 3.46 1
21 LEU 5.91 1.80 1
22 SER -1.21 -0.33 1
23 ILE 0.81 0.84 1
24 LEU 0.12 -1.13 1
25 GLU -3.09 -1.62 1
26 GLU 2.29 1.63 1
28 GLU -1.30 -0.25 1
29 ASP 1.47 0.57 1
30 VAL -4.16 -1.87 1
31 ARG -3.76 -1.21 1
32 ARG -2.37 -1.71 1
33 LEU 1.52 0.93 1
36 MET 6.22 1.73 1
38 LEU -4.99 -0.93 1
40 HIS 3.28 5.20 1
41 GLN 5.32 4.24 1
42 VAL 4.50 3.24 1
44 VAL 3.83 2.61 1
45 ASP 5.34 3.92 1
46 GLN 3.60 2.53 1
47 TRP 3.02 3.13 1
48 LEU 0.79 0.87 1
49 ILE 5.08 3.72 1
50 THR -0.47 -0.23 1
51 ASN -1.90 0.15 1
52 LYS -0.06 -0.79 1
53 LYS -5.45 -1.96 1
56 ILE 1.78 2.42 1
58 ARG 6.33 1.96 1
59 VAL 1.31 0.76 1
60 ASP 1.45 1.68 1
61 ILE 1.51 1.19 1
62 GLU -0.55 -0.16 1
63 ALA -0.17 -0.02 1
64 GLN -0.52 -0.41 1
65 LEU 0.22 -0.06 1
67 SER 0.00 0.03 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15948_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.10
_LACS_plot.Line_1_terminator_val_y_1 4.99
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.56
_LACS_plot.Line_2_terminator_val_x_2 6.33
_LACS_plot.Line_2_terminator_val_y_2 -1.58
_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
39 PHE -8.10 6.12 0
37 HIS 3.56 2.23 0
10 GLU -0.18 0.18 1
11 GLU -0.56 0.44 1
12 ASP 0.08 -0.04 1
13 THR 0.07 -0.17 1
14 GLU -0.65 0.39 1
15 GLU -1.02 0.80 1
16 LYS -3.74 2.08 1
18 THR 4.87 -1.34 1
19 ILE 3.77 -0.31 1
21 LEU 5.91 -4.11 1
22 SER -1.21 0.88 1
23 ILE 0.81 0.03 1
24 LEU 0.12 -1.25 1
25 GLU -3.09 1.47 1
26 GLU 2.29 -0.66 1
28 GLU -1.30 1.05 1
29 ASP 1.47 -0.90 1
30 VAL -4.16 2.29 1
31 ARG -3.76 2.55 1
32 ARG -2.37 0.66 1
33 LEU 1.52 -0.59 1
36 MET 6.22 -4.49 1
38 LEU -4.99 4.06 1
40 HIS 3.28 1.92 1
41 GLN 5.32 -1.08 1
42 VAL 4.50 -1.26 1
44 VAL 3.83 -1.22 1
45 ASP 5.34 -1.42 1
46 GLN 3.60 -1.07 1
47 TRP 3.02 0.11 1
48 LEU 0.79 0.08 1
49 ILE 5.08 -1.36 1
50 THR -0.47 0.24 1
51 ASN -1.90 2.05 1
52 LYS -0.06 -0.73 1
53 LYS -5.45 3.49 1
56 ILE 1.78 0.64 1
58 ARG 6.33 -4.37 1
59 VAL 1.31 -0.55 1
60 ASP 1.45 0.23 1
61 ILE 1.51 -0.32 1
62 GLU -0.55 0.39 1
63 ALA -0.17 0.15 1
64 GLN -0.52 0.11 1
65 LEU 0.22 -0.28 1
67 SER 0.00 0.03 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15948_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.10
_LACS_plot.Line_1_terminator_val_y_1 0.39
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.26
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.04
_LACS_plot.Line_2_terminator_val_x_2 6.33
_LACS_plot.Line_2_terminator_val_y_2 -0.57
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
30 VAL -4.16 0.68 0
67 SER 0.00 -0.72 0
39 PHE -8.10 0.20 0
10 GLU -0.18 -0.08 1
11 GLU -0.56 -0.19 1
12 ASP 0.08 -0.09 1
13 THR 0.07 -0.21 1
14 GLU -0.65 -0.18 1
15 GLU -1.02 -0.17 1
16 LYS -3.74 0.12 1
18 THR 4.87 -0.49 1
19 ILE 3.77 -0.42 1
21 LEU 5.91 -0.46 1
22 SER -1.21 -0.52 1
23 ILE 0.81 -0.25 1
24 LEU 0.12 -0.19 1
25 GLU -3.09 -0.01 1
26 GLU 2.29 -0.42 1
28 GLU -1.30 -0.08 1
29 ASP 1.47 0.08 1
31 ARG -3.76 0.15 1
32 ARG -2.37 0.57 1
33 LEU 1.52 -0.04 1
36 MET 6.22 -0.63 1
37 HIS 3.56 -0.35 1
38 LEU -4.99 0.38 1
40 HIS 3.28 -0.15 1
41 GLN 5.32 -0.67 1
42 VAL 4.50 -0.23 1
44 VAL 3.83 -0.44 1
45 ASP 5.34 -0.34 1
46 GLN 3.60 -0.31 1
47 TRP 3.02 -0.55 1
48 LEU 0.79 0.15 1
49 ILE 5.08 -0.58 1
50 THR -0.47 -0.07 1
51 ASN -1.90 -0.28 1
52 LYS -0.06 0.02 1
53 LYS -5.45 0.58 1
56 ILE 1.78 -0.42 1
58 ARG 6.33 -0.36 1
59 VAL 1.31 -0.07 1
60 ASP 1.45 -0.15 1
61 ILE 1.51 -0.20 1
62 GLU -0.55 -0.09 1
63 ALA -0.17 -0.17 1
64 GLN -0.52 -0.14 1
65 LEU 0.22 -0.09 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr15948_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.10
_LACS_plot.Line_1_terminator_val_y_1 -3.52
_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 -1.05
_LACS_plot.Line_2_terminator_val_x_2 6.33
_LACS_plot.Line_2_terminator_val_y_2 1.80
_LACS_plot.Y_axis_chem_shift_offset 0.35
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
39 PHE -8.10 0.32 0
11 GLU -0.56 -0.47 1
12 ASP 0.08 0.12 1
13 THR 0.07 -0.19 1
14 GLU -0.65 -0.72 1
15 GLU -1.02 -1.29 1
16 LYS -3.74 -1.47 1
18 THR 4.87 -0.53 1
19 ILE 3.77 -0.09 1
21 LEU 5.91 -1.76 1
22 SER -1.21 -1.01 1
23 ILE 0.81 -0.99 1
24 LEU 0.12 -1.95 1
25 GLU -3.09 0.33 1
26 GLU 2.29 0.82 1
28 GLU -1.30 -0.25 1
29 ASP 1.47 0.31 1
30 VAL -4.16 -1.90 1
31 ARG -3.76 -3.42 1
32 ARG -2.37 0.59 1
36 MET 6.22 -0.16 1
37 HIS 3.56 -1.69 1
38 LEU -4.99 -3.78 1
40 HIS 3.28 2.62 1
41 GLN 5.32 1.51 1
42 VAL 4.50 2.04 1
44 VAL 3.83 -1.75 1
45 ASP 5.34 2.88 1
46 GLN 3.60 2.86 1
47 TRP 3.02 1.90 1
48 LEU 0.79 0.36 1
49 ILE 5.08 1.54 1
50 THR -0.47 -0.60 1
51 ASN -1.90 -1.59 1
52 LYS -0.06 -1.00 1
53 LYS -5.45 -1.43 1
56 ILE 1.78 0.67 1
58 ARG 6.33 -1.98 1
59 VAL 1.31 0.29 1
60 ASP 1.45 0.14 1
61 ILE 1.51 -0.40 1
62 GLU -0.55 -0.76 1
63 ALA -0.17 -0.38 1
64 GLN -0.52 -0.29 1
67 SER 0.00 -0.05 1
stop_
save_