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 bmr11332_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 -4.46
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.42
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.55
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 4.81
_LACS_plot.Y_axis_chem_shift_offset -0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
38 PHE -8.00 -1.79 0
10 SER 0.70 0.56 1
11 GLU -0.21 0.06 1
12 LEU 0.12 -0.08 1
13 THR 0.27 -0.01 1
15 TYR -0.15 -0.53 1
16 ILE -0.39 0.06 1
17 LEU -3.14 -1.83 1
19 SER 3.87 3.15 1
20 ILE 4.23 3.89 1
22 LYS 5.66 1.46 1
24 TYR 1.13 0.27 1
25 LEU -0.66 0.73 1
26 ILE -0.88 -0.93 1
27 ASP 2.41 0.60 1
28 ALA 0.28 1.23 1
29 THR -1.43 0.90 1
30 THR -1.23 0.06 1
31 ILE 1.64 0.63 1
32 THR 5.68 4.62 1
33 GLU 4.63 4.70 1
35 LEU 5.88 1.50 1
36 HIS 2.25 4.27 1
37 THR -1.38 0.09 1
40 LYS 5.01 4.46 1
41 SER 4.42 3.18 1
43 ILE -0.89 -1.11 1
44 VAL 6.01 4.72 1
45 ARG 3.65 2.65 1
46 HIS 3.10 5.38 1
47 PHE 0.13 -1.64 1
48 TYR 3.31 1.69 1
49 TYR -2.24 -0.50 1
50 SER -2.65 -2.26 1
51 ASN -0.45 -1.48 1
52 ARG -5.95 -2.88 1
55 LYS 0.79 1.58 1
57 ASN 0.83 1.93 1
58 ILE 0.87 1.28 1
59 VAL 3.09 1.89 1
60 VAL -0.83 -0.79 1
61 HIS 0.00 1.67 1
62 GLN -0.40 -0.09 1
63 THR -0.09 -0.06 1
64 GLN 0.11 0.31 1
66 LEU 0.06 0.06 1
67 SER -0.47 -0.25 1
70 SER 0.08 -0.10 1
71 SER -0.21 -0.08 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11332_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 3.54
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.58
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.45
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 -1.20
_LACS_plot.Y_axis_chem_shift_offset -0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
38 PHE -8.00 6.21 0
10 SER 0.70 -0.14 1
11 GLU -0.21 0.27 1
12 LEU 0.12 -0.20 1
13 THR 0.27 -0.28 1
15 TYR -0.15 -0.38 1
16 ILE -0.39 0.45 1
17 LEU -3.14 1.31 1
19 SER 3.87 -0.72 1
20 ILE 4.23 -0.34 1
22 LYS 5.66 -4.20 1
24 TYR 1.13 -0.86 1
25 LEU -0.66 1.39 1
26 ILE -0.88 -0.05 1
27 ASP 2.41 -1.81 1
28 ALA 0.28 0.95 1
29 THR -1.43 2.33 1
30 THR -1.23 1.29 1
31 ILE 1.64 -1.01 1
32 THR 5.68 -1.06 1
33 GLU 4.63 0.07 1
35 LEU 5.88 -4.38 1
36 HIS 2.25 2.02 1
37 THR -1.38 1.47 1
40 LYS 5.01 -0.55 1
41 SER 4.42 -1.24 1
43 ILE -0.89 -0.22 1
44 VAL 6.01 -1.29 1
45 ARG 3.65 -1.00 1
46 HIS 3.10 2.28 1
47 PHE 0.13 -1.77 1
48 TYR 3.31 -1.62 1
49 TYR -2.24 1.74 1
50 SER -2.65 0.39 1
51 ASN -0.45 -1.03 1
52 ARG -5.95 3.07 1
55 LYS 0.79 0.79 1
57 ASN 0.83 1.10 1
58 ILE 0.87 0.41 1
59 VAL 3.09 -1.20 1
60 VAL -0.83 0.04 1
61 HIS 0.00 1.67 1
62 GLN -0.40 0.31 1
63 THR -0.09 0.03 1
64 GLN 0.11 0.20 1
66 LEU 0.06 0.00 1
67 SER -0.47 0.22 1
70 SER 0.08 -0.18 1
71 SER -0.21 0.13 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11332_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 0.56
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.14
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 -0.48
_LACS_plot.Y_axis_chem_shift_offset 0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 PHE 0.13 0.93 0
10 SER 0.70 -0.10 1
11 GLU -0.21 -0.08 1
12 LEU 0.12 0.03 1
13 THR 0.27 -0.10 1
15 TYR -0.15 -0.01 1
16 ILE -0.39 0.05 1
17 LEU -3.14 0.29 1
19 SER 3.87 -0.23 1
20 ILE 4.23 -0.14 1
22 LYS 5.66 -0.30 1
24 TYR 1.13 -0.04 1
25 LEU -0.66 0.12 1
26 ILE -0.88 0.07 1
27 ASP 2.41 -0.37 1
28 ALA 0.28 -0.37 1
29 THR -1.43 0.22 1
30 THR -1.23 0.53 1
31 ILE 1.64 0.11 1
32 THR 5.68 -0.60 1
33 GLU 4.63 -0.43 1
35 LEU 5.88 -0.49 1
36 HIS 2.25 -0.08 1
37 THR -1.38 0.81 1
38 PHE -8.00 0.46 1
40 LYS 5.01 -0.34 1
41 SER 4.42 -0.38 1
43 ILE -0.89 -0.35 1
44 VAL 6.01 -0.50 1
45 ARG 3.65 -0.65 1
46 HIS 3.10 -0.48 1
48 TYR 3.31 -0.24 1
49 TYR -2.24 0.15 1
50 SER -2.65 0.14 1
51 ASN -0.45 0.10 1
52 ARG -5.95 1.10 1
55 LYS 0.79 0.03 1
57 ASN 0.83 -0.18 1
58 ILE 0.87 0.11 1
59 VAL 3.09 -0.26 1
60 VAL -0.83 -0.14 1
61 HIS 0.00 -0.22 1
62 GLN -0.40 -0.01 1
63 THR -0.09 -0.07 1
64 GLN 0.11 -0.01 1
66 LEU 0.06 0.02 1
67 SER -0.47 0.02 1
70 SER 0.08 0.02 1
71 SER -0.21 0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11332_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.00
_LACS_plot.Line_1_terminator_val_y_1 -1.57
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.90
_LACS_plot.Line_2_terminator_val_x_2 6.01
_LACS_plot.Line_2_terminator_val_y_2 1.30
_LACS_plot.Y_axis_chem_shift_offset 0.34
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
22 LYS 5.66 -1.88 0
38 PHE -8.00 -1.13 0
46 HIS 3.10 4.15 0
10 SER 0.70 0.09 1
11 GLU -0.21 -0.28 1
12 LEU 0.12 -0.39 1
13 THR 0.27 -0.38 1
15 TYR -0.15 -0.71 1
16 ILE -0.39 -1.55 1
17 LEU -3.14 -0.70 1
19 SER 3.87 0.37 1
20 ILE 4.23 0.46 1
24 TYR 1.13 0.43 1
25 LEU -0.66 -0.15 1
26 ILE -0.88 0.14 1
27 ASP 2.41 -1.56 1
28 ALA 0.28 0.00 1
29 THR -1.43 -2.64 1
30 THR -1.23 -0.26 1
31 ILE 1.64 0.62 1
32 THR 5.68 1.13 1
33 GLU 4.63 0.38 1
35 LEU 5.88 -1.13 1
36 HIS 2.25 -0.08 1
37 THR -1.38 -2.57 1
40 LYS 5.01 1.68 1
41 SER 4.42 2.96 1
43 ILE -0.89 -0.73 1
44 VAL 6.01 2.24 1
45 ARG 3.65 2.62 1
47 PHE 0.13 1.70 1
48 TYR 3.31 1.49 1
49 TYR -2.24 -0.75 1
50 SER -2.65 -1.99 1
51 ASN -0.45 -1.61 1
52 ARG -5.95 0.15 1
55 LYS 0.79 0.44 1
57 ASN 0.83 -1.01 1
58 ILE 0.87 -1.19 1
59 VAL 3.09 -0.71 1
60 VAL -0.83 -0.62 1
61 HIS 0.00 1.30 1
62 GLN -0.40 -0.49 1
63 THR -0.09 -0.32 1
64 GLN 0.11 -0.64 1
66 LEU 0.06 -0.26 1
67 SER -0.47 -0.19 1
70 SER 0.08 0.08 1
71 SER -0.21 -0.66 1
stop_
save_