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 bmr11275_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.67
_LACS_plot.Line_1_terminator_val_y_1 -2.13
_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 -1.36
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 6.31
_LACS_plot.Y_axis_chem_shift_offset -0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
69 HIS -3.70 1.29 0
10 ALA -3.71 -1.59 1
11 VAL -4.28 -1.34 1
12 GLU -3.14 -1.19 1
13 VAL -2.45 -0.92 1
14 ARG -3.43 -0.84 1
16 LEU -4.06 -1.56 1
19 ALA 0.37 0.45 1
20 VAL 1.46 0.87 1
22 ASP 4.03 3.99 1
23 GLU 3.67 3.07 1
24 LEU 2.93 2.00 1
25 LEU 3.97 2.63 1
26 THR 8.19 5.89 1
27 LEU 2.98 2.95 1
28 TYR 4.06 3.95 1
29 PHE 5.47 5.03 1
30 GLU -0.64 -0.38 1
31 ASN -0.53 -1.00 1
32 ARG 3.60 2.82 1
33 ARG 3.47 2.61 1
34 ARG 0.63 1.91 1
35 SER -3.72 0.35 1
40 VAL -0.77 0.32 1
41 LEU 0.02 1.33 1
42 SER -2.48 -0.78 1
43 TRP -5.67 -2.27 1
44 GLN -4.08 -2.54 1
45 ARG -0.42 0.36 1
46 LEU -2.11 -0.61 1
51 VAL -1.91 -0.39 1
52 LEU -5.22 -1.63 1
53 THR 0.77 0.15 1
54 PHE 1.17 1.68 1
55 ARG 3.09 3.77 1
56 GLU -3.22 -2.26 1
58 ALA 2.89 2.42 1
59 ASP 4.42 2.41 1
60 ALA 3.17 2.38 1
61 GLU 2.63 2.54 1
62 ARG 5.81 4.12 1
63 VAL 4.75 3.45 1
64 LEU 2.77 2.17 1
65 ALA 0.79 0.38 1
66 GLN 1.37 0.45 1
67 ALA 1.96 2.13 1
68 ASP -1.52 -0.66 1
70 GLU -3.96 -1.93 1
71 LEU -4.33 -1.48 1
72 HIS 1.19 1.64 1
74 ALA -2.80 -1.73 1
75 GLN 0.34 -0.50 1
76 LEU -2.19 -1.31 1
77 SER -2.15 -1.06 1
78 LEU -4.34 -1.41 1
79 ARG -1.62 -0.14 1
81 ALA -0.31 -0.26 1
84 ARG -0.28 -0.31 1
85 ALA -0.03 0.02 1
87 ALA 0.23 0.20 1
88 ARG 0.33 0.04 1
89 LEU 0.32 0.13 1
90 LEU 0.52 0.17 1
91 LEU 0.29 0.13 1
92 GLN 0.26 0.31 1
94 LEU -0.25 -0.15 1
98 THR -0.03 0.15 1
99 SER -0.32 -0.04 1
102 SER -0.09 0.03 1
103 SER -0.34 0.03 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11275_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.67
_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 -1.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.64
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 -1.88
_LACS_plot.Y_axis_chem_shift_offset -0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
69 HIS -3.70 4.99 0
10 ALA -3.71 2.12 1
11 VAL -4.28 2.94 1
12 GLU -3.14 1.95 1
13 VAL -2.45 1.53 1
14 ARG -3.43 2.59 1
16 LEU -4.06 2.50 1
19 ALA 0.37 0.08 1
20 VAL 1.46 -0.59 1
22 ASP 4.03 -0.04 1
23 GLU 3.67 -0.60 1
24 LEU 2.93 -0.93 1
25 LEU 3.97 -1.34 1
26 THR 8.19 -2.30 1
27 LEU 2.98 -0.03 1
28 TYR 4.06 -0.11 1
29 PHE 5.47 -0.44 1
30 GLU -0.64 0.26 1
31 ASN -0.53 -0.47 1
32 ARG 3.60 -0.78 1
33 ARG 3.47 -0.86 1
34 ARG 0.63 1.28 1
35 SER -3.72 4.07 1
40 VAL -0.77 1.09 1
41 LEU 0.02 1.31 1
42 SER -2.48 1.70 1
43 TRP -5.67 3.40 1
44 GLN -4.08 1.54 1
45 ARG -0.42 0.78 1
46 LEU -2.11 1.50 1
51 VAL -1.91 1.52 1
52 LEU -5.22 3.59 1
53 THR 0.77 -0.62 1
54 PHE 1.17 0.51 1
55 ARG 3.09 0.68 1
56 GLU -3.22 0.96 1
58 ALA 2.89 -0.47 1
59 ASP 4.42 -2.01 1
60 ALA 3.17 -0.79 1
61 GLU 2.63 -0.09 1
62 ARG 5.81 -1.69 1
63 VAL 4.75 -1.30 1
64 LEU 2.77 -0.60 1
65 ALA 0.79 -0.41 1
66 GLN 1.37 -0.92 1
67 ALA 1.96 0.17 1
68 ASP -1.52 0.86 1
70 GLU -3.96 2.03 1
71 LEU -4.33 2.85 1
72 HIS 1.19 0.45 1
74 ALA -2.80 1.07 1
75 GLN 0.34 -0.84 1
76 LEU -2.19 0.88 1
77 SER -2.15 1.09 1
78 LEU -4.34 2.93 1
79 ARG -1.62 1.48 1
81 ALA -0.31 0.05 1
84 ARG -0.28 -0.03 1
85 ALA -0.03 0.05 1
87 ALA 0.23 -0.03 1
88 ARG 0.33 -0.29 1
89 LEU 0.32 -0.19 1
90 LEU 0.52 -0.35 1
91 LEU 0.29 -0.16 1
92 GLN 0.26 0.05 1
94 LEU -0.25 0.10 1
98 THR -0.03 0.18 1
99 SER -0.32 0.28 1
102 SER -0.09 0.12 1
103 SER -0.34 0.37 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11275_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.67
_LACS_plot.Line_1_terminator_val_y_1 0.64
_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 0.22
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 -0.79
_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
60 ALA 3.17 -1.23 0
26 THR 8.19 -0.29 0
78 LEU -4.34 1.38 0
10 ALA -3.71 1.10 1
11 VAL -4.28 0.41 1
12 GLU -3.14 0.59 1
13 VAL -2.45 0.46 1
14 ARG -3.43 0.74 1
16 LEU -4.06 -0.35 1
19 ALA 0.37 -0.18 1
20 VAL 1.46 -0.41 1
22 ASP 4.03 -0.46 1
23 GLU 3.67 -0.31 1
24 LEU 2.93 -0.20 1
25 LEU 3.97 -0.50 1
27 LEU 2.98 -0.29 1
28 TYR 4.06 -0.48 1
29 PHE 5.47 -0.34 1
30 GLU -0.64 0.40 1
31 ASN -0.53 -0.12 1
32 ARG 3.60 -0.48 1
33 ARG 3.47 -0.31 1
34 ARG 0.63 -0.02 1
35 SER -3.72 0.04 1
40 VAL -0.77 -0.18 1
41 LEU 0.02 -0.10 1
42 SER -2.48 0.12 1
43 TRP -5.67 0.77 1
44 GLN -4.08 -0.28 1
45 ARG -0.42 -0.70 1
46 LEU -2.11 0.13 1
51 VAL -1.91 0.67 1
52 LEU -5.22 0.66 1
53 THR 0.77 0.54 1
54 PHE 1.17 -0.05 1
55 ARG 3.09 -0.34 1
56 GLU -3.22 0.44 1
58 ALA 2.89 -0.27 1
59 ASP 4.42 -0.26 1
61 GLU 2.63 -0.60 1
62 ARG 5.81 -0.43 1
63 VAL 4.75 0.08 1
64 LEU 2.77 -0.28 1
65 ALA 0.79 -0.10 1
66 GLN 1.37 -0.10 1
67 ALA 1.96 -0.15 1
68 ASP -1.52 0.21 1
69 HIS -3.70 0.03 1
70 GLU -3.96 0.73 1
71 LEU -4.33 -0.16 1
72 HIS 1.19 -0.69 1
74 ALA -2.80 0.28 1
75 GLN 0.34 0.28 1
76 LEU -2.19 0.56 1
77 SER -2.15 0.50 1
79 ARG -1.62 0.24 1
81 ALA -0.31 -0.08 1
84 ARG -0.28 -0.09 1
85 ALA -0.03 -0.08 1
87 ALA 0.23 -0.12 1
88 ARG 0.33 -0.06 1
89 LEU 0.32 -0.03 1
91 LEU 0.29 -0.03 1
92 GLN 0.26 -0.04 1
94 LEU -0.25 -0.06 1
98 THR -0.03 0.05 1
99 SER -0.32 0.06 1
102 SER -0.09 0.02 1
103 SER -0.34 0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11275_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.67
_LACS_plot.Line_1_terminator_val_y_1 -2.97
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.70
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.21
_LACS_plot.Line_2_terminator_val_x_2 8.19
_LACS_plot.Line_2_terminator_val_y_2 3.58
_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
29 PHE 5.47 -1.26 0
10 ALA -3.71 -0.70 1
11 VAL -4.28 -2.27 1
12 GLU -3.14 -1.48 1
13 VAL -2.45 -0.94 1
14 ARG -3.43 -0.84 1
16 LEU -4.06 -2.33 1
19 ALA 0.37 0.54 1
20 VAL 1.46 -1.19 1
22 ASP 4.03 1.73 1
23 GLU 3.67 1.33 1
24 LEU 2.93 1.25 1
25 LEU 3.97 0.98 1
26 THR 8.19 1.24 1
27 LEU 2.98 2.49 1
28 TYR 4.06 2.17 1
30 GLU -0.64 -0.34 1
31 ASN -0.53 -0.73 1
32 ARG 3.60 2.19 1
33 ARG 3.47 1.41 1
34 ARG 0.63 0.30 1
35 SER -3.72 -0.94 1
40 VAL -0.77 0.47 1
41 LEU 0.02 -0.54 1
42 SER -2.48 -3.62 1
43 TRP -5.67 -2.73 1
44 GLN -4.08 -3.69 1
45 ARG -0.42 -0.65 1
46 LEU -2.11 -1.88 1
51 VAL -1.91 -1.16 1
52 LEU -5.22 -2.99 1
53 THR 0.77 -0.19 1
54 PHE 1.17 -0.92 1
55 ARG 3.09 0.15 1
56 GLU -3.22 1.24 1
58 ALA 2.89 2.48 1
59 ASP 4.42 -0.24 1
60 ALA 3.17 0.81 1
61 GLU 2.63 2.13 1
62 ARG 5.81 3.71 1
63 VAL 4.75 3.35 1
64 LEU 2.77 0.77 1
65 ALA 0.79 -0.14 1
66 GLN 1.37 -1.00 1
67 ALA 1.96 -0.16 1
68 ASP -1.52 -1.86 1
69 HIS -3.70 -0.53 1
70 GLU -3.96 -2.55 1
71 LEU -4.33 -2.67 1
72 HIS 1.19 1.55 1
74 ALA -2.80 -2.03 1
75 GLN 0.34 -0.23 1
76 LEU -2.19 -0.86 1
77 SER -2.15 -1.18 1
78 LEU -4.34 -0.86 1
79 ARG -1.62 -2.24 1
81 ALA -0.31 -1.24 1
84 ARG -0.28 -0.65 1
85 ALA -0.03 -0.54 1
87 ALA 0.23 0.08 1
88 ARG 0.33 -0.29 1
89 LEU 0.32 -0.35 1
90 LEU 0.52 -0.50 1
91 LEU 0.29 -0.37 1
92 GLN 0.26 0.21 1
94 LEU -0.25 -0.70 1
98 THR -0.03 -0.09 1
99 SER -0.32 -0.18 1
102 SER -0.09 0.08 1
103 SER -0.34 -0.67 1
stop_
save_