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 bmr18650_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -1.52
_LACS_plot.Line_1_terminator_val_y_1 -0.84
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.48
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.67
_LACS_plot.Line_2_terminator_val_x_2 5.57
_LACS_plot.Line_2_terminator_val_y_2 3.66
_LACS_plot.Y_axis_chem_shift_offset 0.26
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ASN -0.94 -2.28 0
20 HIS -0.60 0.84 0
65 HIS -0.36 1.20 0
11 GLU -0.41 -0.20 1
13 THR -0.49 -0.34 1
14 LEU 1.60 0.80 1
15 SER 1.99 1.23 1
16 GLU 1.77 1.19 1
17 ALA 1.88 1.09 1
18 LEU 1.50 0.70 1
19 LEU 1.39 0.80 1
21 LEU -0.34 -0.41 1
22 GLN 0.02 -0.29 1
23 PHE -1.34 -0.79 1
24 ASP 1.99 2.59 1
25 ALA 1.04 0.72 1
26 ASP -0.08 -0.34 1
27 GLU -0.28 -0.12 1
28 ASP -1.52 -0.94 1
29 LEU 1.13 0.45 1
31 ALA 2.05 0.98 1
32 LEU 1.32 0.60 1
33 LEU 0.52 -0.13 1
35 ASN 0.29 -0.18 1
37 THR 0.15 -0.36 1
38 ASP -0.61 -0.28 1
41 VAL 0.27 -0.29 1
42 PHE 0.50 -0.14 1
43 THR 0.61 0.22 1
44 ASP -0.72 -0.55 1
45 LEU 2.15 1.09 1
46 ALA 2.73 1.73 1
47 SER 0.17 -0.27 1
48 VAL 0.93 0.06 1
49 ASP -1.28 -1.88 1
51 SER 5.57 3.85 1
52 GLU 3.14 2.14 1
53 PHE 4.22 3.79 1
54 GLN 4.33 3.04 1
55 GLN 3.75 2.30 1
56 LEU 3.40 2.04 1
57 LEU 2.35 1.04 1
58 ASN 1.00 0.38 1
59 GLN 1.29 0.64 1
61 VAL 0.02 -0.34 1
62 SER 0.12 -0.37 1
63 MET 0.01 -0.27 1
64 SER 0.11 -0.30 1
66 SER 0.13 -0.20 1
67 THR 0.12 -0.37 1
68 ALA -0.55 -0.56 1
69 GLU -0.63 -0.38 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18650_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -1.52
_LACS_plot.Line_1_terminator_val_y_1 0.68
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.52
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.33
_LACS_plot.Line_2_terminator_val_x_2 5.57
_LACS_plot.Line_2_terminator_val_y_2 -1.91
_LACS_plot.Y_axis_chem_shift_offset 0.26
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ASN -0.94 -1.34 0
20 HIS -0.60 1.44 0
65 HIS -0.36 1.56 0
11 GLU -0.41 0.21 1
13 THR -0.49 0.15 1
14 LEU 1.60 -0.80 1
15 SER 1.99 -0.76 1
16 GLU 1.77 -0.58 1
17 ALA 1.88 -0.79 1
18 LEU 1.50 -0.80 1
19 LEU 1.39 -0.59 1
21 LEU -0.34 -0.07 1
22 GLN 0.02 -0.31 1
23 PHE -1.34 0.55 1
24 ASP 1.99 0.60 1
25 ALA 1.04 -0.32 1
26 ASP -0.08 -0.26 1
27 GLU -0.28 0.16 1
28 ASP -1.52 0.58 1
29 LEU 1.13 -0.68 1
31 ALA 2.05 -1.07 1
32 LEU 1.32 -0.72 1
33 LEU 0.52 -0.65 1
35 ASN 0.29 -0.47 1
37 THR 0.15 -0.51 1
38 ASP -0.61 0.33 1
41 VAL 0.27 -0.56 1
42 PHE 0.50 -0.64 1
43 THR 0.61 -0.39 1
44 ASP -0.72 0.17 1
45 LEU 2.15 -1.06 1
46 ALA 2.73 -1.00 1
47 SER 0.17 -0.44 1
48 VAL 0.93 -0.87 1
49 ASP -1.28 -0.60 1
51 SER 5.57 -1.72 1
52 GLU 3.14 -1.00 1
53 PHE 4.22 -0.43 1
54 GLN 4.33 -1.29 1
55 GLN 3.75 -1.45 1
56 LEU 3.40 -1.36 1
57 LEU 2.35 -1.31 1
58 ASN 1.00 -0.62 1
59 GLN 1.29 -0.65 1
61 VAL 0.02 -0.36 1
62 SER 0.12 -0.49 1
63 MET 0.01 -0.28 1
64 SER 0.11 -0.41 1
66 SER 0.13 -0.33 1
67 THR 0.12 -0.49 1
68 ALA -0.55 -0.01 1
69 GLU -0.63 0.25 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18650_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -1.52
_LACS_plot.Line_1_terminator_val_y_1 0.10
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.25
_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 5.57
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_LACS_plot.Y_axis_chem_shift_offset 0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 ASN -0.94 0.49 0
51 SER 5.57 -0.36 0
11 GLU -0.41 -0.05 1
13 THR -0.49 0.03 1
14 LEU 1.60 -0.08 1
15 SER 1.99 -0.28 1
16 GLU 1.77 -0.26 1
17 ALA 1.88 -0.15 1
18 LEU 1.50 -0.18 1
19 LEU 1.39 -0.22 1
20 HIS -0.60 -0.06 1
21 LEU -0.34 -0.10 1
22 GLN 0.02 0.03 1
23 PHE -1.34 0.07 1
24 ASP 1.99 -0.43 1
25 ALA 1.04 0.01 1
26 ASP -0.08 0.04 1
27 GLU -0.28 -0.14 1
28 ASP -1.52 0.07 1
29 LEU 1.13 -0.50 1
31 ALA 2.05 -0.11 1
32 LEU 1.32 -0.22 1
33 LEU 0.52 -0.17 1
35 ASN 0.29 0.01 1
37 THR 0.15 -0.04 1
38 ASP -0.61 -0.07 1
41 VAL 0.27 -0.06 1
42 PHE 0.50 -0.04 1
43 THR 0.61 -0.16 1
44 ASP -0.72 -0.04 1
45 LEU 2.15 -0.41 1
46 ALA 2.73 -0.34 1
47 SER 0.17 -0.09 1
48 VAL 0.93 -0.36 1
49 ASP -1.28 0.31 1
52 GLU 3.14 -0.17 1
53 PHE 4.22 -0.55 1
54 GLN 4.33 -0.64 1
55 GLN 3.75 -0.34 1
56 LEU 3.40 -0.40 1
57 LEU 2.35 -0.59 1
58 ASN 1.00 -0.12 1
59 GLN 1.29 -0.09 1
61 VAL 0.02 0.03 1
62 SER 0.12 -0.02 1
63 MET 0.01 0.03 1
64 SER 0.11 -0.07 1
65 HIS -0.36 -0.11 1
66 SER 0.13 0.03 1
67 THR 0.12 0.00 1
68 ALA -0.55 0.01 1
69 GLU -0.63 -0.08 1
stop_
save_