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 bmr11342_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.96
_LACS_plot.Line_1_terminator_val_y_1 -3.15
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.06
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.01
_LACS_plot.Line_2_terminator_val_x_2 6.87
_LACS_plot.Line_2_terminator_val_y_2 4.90
_LACS_plot.Y_axis_chem_shift_offset -0.27
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
22 ARG 6.87 2.24 0
50 HIS 1.16 4.17 0
53 HIS 3.78 5.60 0
52 PHE -7.96 -1.92 0
10 SER -0.36 -0.27 1
11 TRP -0.38 -0.23 1
12 ASP 0.32 0.20 1
13 VAL -0.43 -0.25 1
14 GLU -0.26 0.07 1
16 ASP 0.78 0.40 1
17 THR -0.81 0.22 1
19 ALA 1.22 1.72 1
20 ILE 3.64 3.34 1
23 VAL -0.57 -0.20 1
24 GLN 2.63 2.26 1
25 VAL 3.68 2.55 1
26 MET 1.58 -0.05 1
27 ASP -2.72 -1.55 1
28 ALA -1.36 -0.81 1
30 LEU 4.07 3.17 1
31 ARG 4.85 3.59 1
33 GLN 4.43 3.88 1
34 ALA 2.93 2.27 1
35 GLU -1.57 -1.04 1
36 ASN 3.30 1.52 1
37 LYS -1.31 -1.31 1
38 GLN 6.54 5.02 1
39 GLU 2.76 1.99 1
40 ASP -0.95 -0.06 1
42 VAL -4.31 -2.05 1
43 VAL -0.12 0.32 1
44 VAL -6.21 -2.93 1
45 TRP -3.70 -0.29 1
47 GLU 2.90 2.70 1
49 ASN 4.00 2.40 1
51 SER -5.36 -3.43 1
54 ASN 4.21 4.78 1
57 MET 2.55 0.46 1
58 SER 4.70 3.73 1
59 LEU 2.27 1.81 1
60 TRP 2.79 3.42 1
61 VAL 2.15 0.84 1
62 LYS 3.13 2.21 1
63 GLN -1.59 -0.28 1
64 ASN -2.01 -0.11 1
65 ASN 0.25 -0.15 1
66 ARG -4.36 -1.51 1
69 LEU 0.08 0.87 1
71 GLN 5.72 2.33 1
72 GLN -0.09 0.67 1
73 ASP 2.92 2.19 1
74 TRP 0.40 0.06 1
75 VAL -3.95 -1.25 1
76 VAL 3.44 2.81 1
77 GLN -0.57 0.91 1
78 ARG -2.50 -0.44 1
79 ILE -3.85 -1.31 1
81 LYS 0.23 1.74 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11342_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.96
_LACS_plot.Line_1_terminator_val_y_1 4.81
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.94
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.99
_LACS_plot.Line_2_terminator_val_x_2 6.87
_LACS_plot.Line_2_terminator_val_y_2 -1.97
_LACS_plot.Y_axis_chem_shift_offset -0.27
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
22 ARG 6.87 -4.63 0
50 HIS 1.16 3.01 0
53 HIS 3.78 1.82 0
52 PHE -7.96 6.04 0
10 SER -0.36 0.09 1
11 TRP -0.38 0.15 1
12 ASP 0.32 -0.12 1
13 VAL -0.43 0.18 1
14 GLU -0.26 0.33 1
16 ASP 0.78 -0.38 1
17 THR -0.81 1.03 1
19 ALA 1.22 0.50 1
20 ILE 3.64 -0.30 1
23 VAL -0.57 0.37 1
24 GLN 2.63 -0.37 1
25 VAL 3.68 -1.13 1
26 MET 1.58 -1.63 1
27 ASP -2.72 1.17 1
28 ALA -1.36 0.55 1
30 LEU 4.07 -0.90 1
31 ARG 4.85 -1.26 1
33 GLN 4.43 -0.55 1
34 ALA 2.93 -0.66 1
35 GLU -1.57 0.53 1
36 ASN 3.30 -1.78 1
37 LYS -1.31 0.00 1
38 GLN 6.54 -1.52 1
39 GLU 2.76 -0.77 1
40 ASP -0.95 0.89 1
42 VAL -4.31 2.26 1
43 VAL -0.12 0.44 1
44 VAL -6.21 3.28 1
45 TRP -3.70 3.41 1
47 GLU 2.90 -0.20 1
49 ASN 4.00 -1.60 1
51 SER -5.36 1.93 1
54 ASN 4.21 0.57 1
57 MET 2.55 -2.09 1
58 SER 4.70 -0.97 1
59 LEU 2.27 -0.46 1
60 TRP 2.79 0.63 1
61 VAL 2.15 -1.31 1
62 LYS 3.13 -0.92 1
63 GLN -1.59 1.31 1
64 ASN -2.01 1.90 1
65 ASN 0.25 -0.40 1
66 ARG -4.36 2.85 1
69 LEU 0.08 0.79 1
71 GLN 5.72 -3.39 1
72 GLN -0.09 0.76 1
73 ASP 2.92 -0.73 1
74 TRP 0.40 -0.34 1
75 VAL -3.95 2.70 1
76 VAL 3.44 -0.63 1
77 GLN -0.57 1.48 1
78 ARG -2.50 2.06 1
79 ILE -3.85 2.54 1
81 LYS 0.23 1.51 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11342_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.96
_LACS_plot.Line_1_terminator_val_y_1 0.96
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.27
_LACS_plot.Line_2_terminator_val_x_2 6.87
_LACS_plot.Line_2_terminator_val_y_2 -0.63
_LACS_plot.Y_axis_chem_shift_offset -0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
52 PHE -7.96 0.01 0
10 SER -0.36 -0.15 1
11 TRP -0.38 -0.08 1
12 ASP 0.32 -0.07 1
13 VAL -0.43 0.01 1
14 GLU -0.26 -0.03 1
16 ASP 0.78 -0.07 1
17 THR -0.81 -0.17 1
19 ALA 1.22 -0.28 1
20 ILE 3.64 -0.43 1
22 ARG 6.87 -0.59 1
23 VAL -0.57 0.19 1
24 GLN 2.63 -0.13 1
25 VAL 3.68 -1.05 1
26 MET 1.58 -0.10 1
27 ASP -2.72 0.21 1
28 ALA -1.36 0.29 1
30 LEU 4.07 -0.55 1
31 ARG 4.85 -0.25 1
33 GLN 4.43 -0.39 1
34 ALA 2.93 -0.20 1
35 GLU -1.57 -0.03 1
36 ASN 3.30 -0.11 1
37 LYS -1.31 0.47 1
38 GLN 6.54 -0.70 1
39 GLU 2.76 -0.27 1
40 ASP -0.95 0.07 1
42 VAL -4.31 0.85 1
43 VAL -0.12 0.14 1
44 VAL -6.21 1.27 1
45 TRP -3.70 0.60 1
47 GLU 2.90 -0.36 1
49 ASN 4.00 -0.32 1
50 HIS 1.16 0.05 1
51 SER -5.36 1.00 1
53 HIS 3.78 -0.07 1
54 ASN 4.21 -0.20 1
57 MET 2.55 -0.17 1
58 SER 4.70 -0.30 1
59 LEU 2.27 -0.09 1
60 TRP 2.79 -0.53 1
61 VAL 2.15 0.46 1
62 LYS 3.13 -0.25 1
63 GLN -1.59 0.08 1
64 ASN -2.01 -0.20 1
65 ASN 0.25 0.22 1
66 ARG -4.36 0.64 1
69 LEU 0.08 -0.04 1
71 GLN 5.72 -0.22 1
72 GLN -0.09 0.12 1
73 ASP 2.92 -0.16 1
74 TRP 0.40 0.16 1
75 VAL -3.95 -0.34 1
76 VAL 3.44 -0.92 1
77 GLN -0.57 0.07 1
78 ARG -2.50 0.29 1
79 ILE -3.85 1.22 1
81 LYS 0.23 0.06 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11342_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.96
_LACS_plot.Line_1_terminator_val_y_1 -2.88
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.39
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.99
_LACS_plot.Line_2_terminator_val_x_2 6.87
_LACS_plot.Line_2_terminator_val_y_2 2.06
_LACS_plot.Y_axis_chem_shift_offset 0.28
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
22 ARG 6.87 -1.64 0
52 PHE -7.96 -0.07 0
81 LYS 0.23 4.64 0
10 SER -0.36 -0.85 1
11 TRP -0.38 -0.50 1
12 ASP 0.32 -0.35 1
13 VAL -0.43 -0.28 1
14 GLU -0.26 0.30 1
16 ASP 0.78 -0.05 1
17 THR -0.81 -1.46 1
19 ALA 1.22 -0.23 1
20 ILE 3.64 0.08 1
23 VAL -0.57 -0.14 1
24 GLN 2.63 1.50 1
25 VAL 3.68 -2.12 1
26 MET 1.58 0.55 1
27 ASP -2.72 -1.16 1
28 ALA -1.36 -1.11 1
30 LEU 4.07 2.72 1
31 ARG 4.85 2.23 1
33 GLN 4.43 2.97 1
34 ALA 2.93 1.63 1
35 GLU -1.57 -1.35 1
36 ASN 3.30 0.12 1
37 LYS -1.31 0.44 1
38 GLN 6.54 2.10 1
39 GLU 2.76 0.11 1
40 ASP -0.95 -1.52 1
42 VAL -4.31 -0.63 1
43 VAL -0.12 -2.33 1
44 VAL -6.21 -3.87 1
45 TRP -3.70 1.17 1
47 GLU 2.90 0.04 1
49 ASN 4.00 -1.04 1
50 HIS 1.16 -1.10 1
51 SER -5.36 -2.66 1
53 HIS 3.78 3.35 1
54 ASN 4.21 3.34 1
57 MET 2.55 1.16 1
58 SER 4.70 1.26 1
59 LEU 2.27 1.64 1
60 TRP 2.79 3.26 1
61 VAL 2.15 0.95 1
62 LYS 3.13 1.02 1
63 GLN -1.59 -1.07 1
64 ASN -2.01 -2.07 1
65 ASN 0.25 -0.07 1
66 ARG -4.36 -1.45 1
69 LEU 0.08 0.04 1
71 GLN 5.72 -1.32 1
72 GLN -0.09 -0.02 1
73 ASP 2.92 0.13 1
74 TRP 0.40 -1.10 1
75 VAL -3.95 -1.89 1
76 VAL 3.44 -0.54 1
77 GLN -0.57 -0.66 1
78 ARG -2.50 -3.52 1
79 ILE -3.85 -0.10 1
stop_
save_