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 bmr11315_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.04
_LACS_plot.Line_1_terminator_val_y_1 -2.68
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.78
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.48
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 4.11
_LACS_plot.Y_axis_chem_shift_offset -0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
38 MET -8.04 -1.17 0
10 THR -0.42 -0.15 1
11 TYR -0.12 -0.07 1
13 ASP 0.39 0.31 1
14 ALA 0.08 0.35 1
15 VAL 0.79 0.40 1
16 LYS -1.37 -0.86 1
17 ILE -5.23 -2.55 1
19 ASN 0.71 3.76 1
20 ILE 1.11 -0.51 1
22 HIS 4.25 2.29 1
23 SER -2.50 -0.81 1
24 LEU 1.32 1.65 1
25 LEU -3.04 -0.49 1
26 ILE 1.69 1.37 1
29 GLN -4.49 -0.81 1
30 SER -4.17 -2.08 1
32 GLU 2.01 1.66 1
33 THR 5.13 3.95 1
36 ILE 0.54 1.61 1
37 ARG -5.90 -1.79 1
39 HIS -0.07 3.24 1
40 LEU 4.64 4.23 1
43 VAL 2.90 2.43 1
44 ALA 2.32 2.26 1
45 LYS 3.58 3.81 1
46 TYR 1.23 0.17 1
47 PHE 3.12 2.28 1
48 GLN 0.99 0.25 1
49 SER -0.60 -0.28 1
50 ASN 0.07 0.50 1
51 ALA -1.93 -0.26 1
52 GLU -5.49 -2.06 1
54 ARG 0.19 3.56 1
57 HIS 0.92 2.28 1
59 ASN -0.07 -0.01 1
60 ASP 2.20 1.75 1
61 TYR -3.11 -1.83 1
62 TRP -3.90 -0.66 1
64 HIS 0.00 0.14 1
65 GLU -0.03 -1.00 1
66 ILE -0.65 -0.38 1
68 LYS -0.39 -0.14 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11315_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.04
_LACS_plot.Line_1_terminator_val_y_1 5.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.52
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 -1.01
_LACS_plot.Y_axis_chem_shift_offset -0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
38 MET -8.04 6.87 0
10 THR -0.42 0.27 1
11 TYR -0.12 0.05 1
13 ASP 0.39 -0.08 1
14 ALA 0.08 0.27 1
15 VAL 0.79 -0.39 1
16 LYS -1.37 0.51 1
17 ILE -5.23 2.68 1
19 ASN 0.71 3.05 1
20 ILE 1.11 -1.62 1
22 HIS 4.25 -1.96 1
23 SER -2.50 1.69 1
24 LEU 1.32 0.33 1
25 LEU -3.04 2.55 1
26 ILE 1.69 -0.32 1
29 GLN -4.49 3.68 1
30 SER -4.17 2.09 1
32 GLU 2.01 -0.35 1
33 THR 5.13 -1.18 1
36 ILE 0.54 1.07 1
37 ARG -5.90 4.11 1
39 HIS -0.07 3.31 1
40 LEU 4.64 -0.41 1
43 VAL 2.90 -0.47 1
44 ALA 2.32 -0.06 1
45 LYS 3.58 0.23 1
46 TYR 1.23 -1.06 1
47 PHE 3.12 -0.84 1
48 GLN 0.99 -0.74 1
49 SER -0.60 0.32 1
50 ASN 0.07 0.43 1
51 ALA -1.93 1.67 1
52 GLU -5.49 3.43 1
54 ARG 0.19 3.37 1
57 HIS 0.92 1.36 1
59 ASN -0.07 0.06 1
60 ASP 2.20 -0.45 1
61 TYR -3.11 1.28 1
62 TRP -3.90 3.24 1
64 HIS 0.00 0.14 1
65 GLU -0.03 -0.97 1
66 ILE -0.65 0.27 1
68 LYS -0.39 0.25 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11315_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.04
_LACS_plot.Line_1_terminator_val_y_1 0.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.19
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.08
_LACS_plot.Line_2_terminator_val_x_2 5.12
_LACS_plot.Line_2_terminator_val_y_2 -0.40
_LACS_plot.Y_axis_chem_shift_offset 0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
30 SER -4.17 1.19 0
10 THR -0.42 -0.13 1
11 TYR -0.12 0.00 1
13 ASP 0.39 -0.12 1
14 ALA 0.08 -0.09 1
15 VAL 0.79 -0.10 1
16 LYS -1.37 0.15 1
17 ILE -5.23 0.22 1
19 ASN 0.71 -0.40 1
20 ILE 1.11 -0.21 1
22 HIS 4.25 -0.31 1
23 SER -2.50 0.51 1
24 LEU 1.32 -0.02 1
25 LEU -3.04 0.21 1
26 ILE 1.69 0.02 1
29 GLN -4.49 0.17 1
32 GLU 2.01 -0.26 1
33 THR 5.13 -0.18 1
36 ILE 0.54 0.03 1
37 ARG -5.90 1.13 1
38 MET -8.04 1.20 1
39 HIS -0.07 -0.04 1
40 LEU 4.64 -0.56 1
43 VAL 2.90 -0.37 1
44 ALA 2.32 -0.26 1
45 LYS 3.58 -0.59 1
46 TYR 1.23 -0.02 1
47 PHE 3.12 -0.22 1
48 GLN 0.99 -0.11 1
49 SER -0.60 -0.07 1
50 ASN 0.07 -0.03 1
51 ALA -1.93 -0.01 1
52 GLU -5.49 0.63 1
54 ARG 0.19 0.06 1
57 HIS 0.92 -0.06 1
59 ASN -0.07 0.12 1
60 ASP 2.20 -0.25 1
61 TYR -3.11 -0.09 1
62 TRP -3.90 -0.19 1
64 HIS 0.00 -0.18 1
65 GLU -0.03 -0.03 1
66 ILE -0.65 0.04 1
68 LYS -0.39 -0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11315_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.04
_LACS_plot.Line_1_terminator_val_y_1 -1.69
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.06
_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 5.12
_LACS_plot.Line_2_terminator_val_y_2 0.78
_LACS_plot.Y_axis_chem_shift_offset 0.31
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
61 TYR -3.11 5.36 0
10 THR -0.42 -0.98 1
11 TYR -0.12 -0.62 1
13 ASP 0.39 -0.28 1
14 ALA 0.08 -0.02 1
15 VAL 0.79 -0.41 1
16 LYS -1.37 -1.80 1
17 ILE -5.23 -1.95 1
19 ASN 0.71 -1.48 1
20 ILE 1.11 0.06 1
22 HIS 4.25 -0.45 1
23 SER -2.50 -1.18 1
24 LEU 1.32 -1.37 1
25 LEU -3.04 -3.69 1
29 GLN -4.49 -0.46 1
30 SER -4.17 -1.20 1
32 GLU 2.01 0.04 1
33 THR 5.13 0.97 1
36 ILE 0.54 -2.03 1
37 ARG -5.90 -0.69 1
38 MET -8.04 -0.28 1
39 HIS -0.07 2.78 1
40 LEU 4.64 1.32 1
43 VAL 2.90 1.86 1
44 ALA 2.32 1.99 1
45 LYS 3.58 1.98 1
46 TYR 1.23 -0.03 1
47 PHE 3.12 0.59 1
48 GLN 0.99 -1.28 1
49 SER -0.60 -0.54 1
50 ASN 0.07 -0.20 1
51 ALA -1.93 -2.10 1
52 GLU -5.49 -1.15 1
54 ARG 0.19 2.13 1
57 HIS 0.92 -0.01 1
59 ASN -0.07 -1.13 1
60 ASP 2.20 -1.40 1
62 TRP -3.90 0.81 1
64 HIS 0.00 -0.13 1
65 GLU -0.03 -0.12 1
66 ILE -0.65 0.33 1
68 LYS -0.39 -0.09 1
stop_
save_