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 bmr18474_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.43
_LACS_plot.Line_1_terminator_val_y_1 -2.53
_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 -1.14
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 4.40
_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
23 TRP -6.43 -0.59 0
10 ASN 6.57 3.15 1
11 ASP 1.58 1.69 1
12 ARG -0.75 -0.05 1
13 VAL -5.19 -2.66 1
14 TRP -3.82 -0.77 1
15 LEU -6.41 -2.26 1
16 LYS 2.05 0.59 1
17 THR 0.27 -0.39 1
19 ALA 3.37 2.41 1
20 ASN -1.15 -0.22 1
21 THR -1.51 0.29 1
22 TRP -4.47 -1.18 1
25 ALA -5.59 -1.35 1
26 LYS -3.46 -1.30 1
27 VAL 2.34 1.39 1
28 THR 2.13 1.39 1
29 SER -0.31 0.51 1
30 VAL -2.18 -0.36 1
31 THR -1.35 -0.23 1
33 VAL 0.20 0.14 1
34 GLU -0.36 0.14 1
36 VAL 0.84 0.53 1
37 ASP 0.52 0.34 1
39 ARG 0.19 0.08 1
40 SER -0.05 0.15 1
41 SER -0.02 0.24 1
42 GLU 0.36 0.56 1
43 THR 0.24 0.30 1
45 THR -0.63 -0.13 1
46 SER -1.47 -0.60 1
47 THR 0.38 0.60 1
48 VAL -1.60 -1.19 1
49 THR 0.11 0.10 1
50 VAL -6.35 -5.10 1
51 LEU -5.47 -2.93 1
52 THR 0.78 -0.06 1
53 TYR 1.98 2.27 1
56 THR 4.06 2.24 1
57 GLN -1.27 0.56 1
58 ASN 0.86 1.62 1
59 LYS -1.76 -1.29 1
60 ALA 0.22 0.67 1
61 THR -3.49 -1.14 1
62 TYR -0.82 0.20 1
63 LYS -5.23 -1.60 1
64 ASN -3.15 -1.47 1
65 VAL -4.85 -2.22 1
66 ASP -0.80 1.08 1
67 SER 4.18 3.21 1
68 HIS 0.87 0.73 1
69 SER -0.77 0.03 1
70 SER 1.46 0.96 1
71 ALA -0.09 0.19 1
72 ILE -5.55 -2.53 1
73 THR -3.43 -2.25 1
74 PHE 4.35 3.83 1
75 PHE 0.75 0.45 1
78 SER 0.27 -0.39 1
79 SER -0.80 -0.25 1
80 GLU 3.54 2.14 1
81 LYS 3.32 1.83 1
82 ALA -1.65 -1.07 1
83 VAL 3.50 1.32 1
84 THR 0.22 -1.26 1
85 ALA -1.55 -0.90 1
86 ASN 0.12 -0.21 1
87 GLU 3.46 3.15 1
88 ASP 1.96 3.32 1
89 LEU 3.65 1.89 1
90 LEU 4.25 3.41 1
91 GLN 2.93 2.26 1
92 ALA 3.32 3.17 1
93 ILE 5.65 5.12 1
94 ARG 5.05 3.53 1
95 ASN 3.85 2.41 1
96 ALA 2.08 1.78 1
97 GLU 2.81 3.21 1
98 GLU -0.47 -0.41 1
99 ASP 1.45 0.07 1
100 LYS 2.03 1.17 1
101 GLU -0.44 -1.93 1
102 SER -3.61 -1.28 1
103 ASN -0.62 -0.48 1
104 ALA 0.63 0.34 1
106 ARG -0.80 -0.71 1
107 PHE -1.27 -0.71 1
108 GLU -0.99 -0.18 1
110 THR 0.12 0.24 1
111 LEU 0.34 0.19 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18474_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.43
_LACS_plot.Line_1_terminator_val_y_1 3.90
_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 0.86
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 -2.17
_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
23 TRP -6.43 5.84 0
10 ASN 6.57 -3.42 1
11 ASP 1.58 0.11 1
12 ARG -0.75 0.70 1
13 VAL -5.19 2.53 1
14 TRP -3.82 3.05 1
15 LEU -6.41 4.15 1
16 LYS 2.05 -1.46 1
17 THR 0.27 -0.66 1
19 ALA 3.37 -0.96 1
20 ASN -1.15 0.93 1
21 THR -1.51 1.80 1
22 TRP -4.47 3.29 1
25 ALA -5.59 4.24 1
26 LYS -3.46 2.16 1
27 VAL 2.34 -0.95 1
28 THR 2.13 -0.74 1
29 SER -0.31 0.82 1
30 VAL -2.18 1.82 1
31 THR -1.35 1.12 1
33 VAL 0.20 -0.06 1
34 GLU -0.36 0.50 1
36 VAL 0.84 -0.31 1
37 ASP 0.52 -0.18 1
39 ARG 0.19 -0.11 1
40 SER -0.05 0.20 1
41 SER -0.02 0.26 1
42 GLU 0.36 0.20 1
43 THR 0.24 0.06 1
45 THR -0.63 0.50 1
46 SER -1.47 0.87 1
47 THR 0.38 0.22 1
48 VAL -1.60 0.41 1
49 THR 0.11 -0.01 1
50 VAL -6.35 1.25 1
51 LEU -5.47 2.54 1
52 THR 0.78 -0.84 1
53 TYR 1.98 0.29 1
56 THR 4.06 -1.82 1
57 GLN -1.27 1.83 1
58 ASN 0.86 0.76 1
59 LYS -1.76 0.47 1
60 ALA 0.22 0.45 1
61 THR -3.49 2.35 1
62 TYR -0.82 1.02 1
63 LYS -5.23 3.63 1
64 ASN -3.15 1.68 1
65 VAL -4.85 2.63 1
66 ASP -0.80 1.88 1
67 SER 4.18 -0.97 1
68 HIS 0.87 -0.14 1
69 SER -0.77 0.80 1
70 SER 1.46 -0.50 1
71 ALA -0.09 0.28 1
72 ILE -5.55 3.02 1
73 THR -3.43 1.18 1
74 PHE 4.35 -0.52 1
75 PHE 0.75 -0.30 1
78 SER 0.27 -0.66 1
79 SER -0.80 0.55 1
80 GLU 3.54 -1.40 1
81 LYS 3.32 -1.49 1
82 ALA -1.65 0.58 1
83 VAL 3.50 -2.18 1
84 THR 0.22 -1.48 1
85 ALA -1.55 0.65 1
86 ASN 0.12 -0.33 1
87 GLU 3.46 -0.31 1
88 ASP 1.96 1.36 1
89 LEU 3.65 -1.76 1
90 LEU 4.25 -0.84 1
91 GLN 2.93 -0.67 1
92 ALA 3.32 -0.15 1
93 ILE 5.65 -0.53 1
94 ARG 5.05 -1.52 1
95 ASN 3.85 -1.44 1
96 ALA 2.08 -0.30 1
97 GLU 2.81 0.40 1
98 GLU -0.47 0.06 1
99 ASP 1.45 -1.38 1
100 LYS 2.03 -0.86 1
101 GLU -0.44 -1.49 1
102 SER -3.61 2.33 1
103 ASN -0.62 0.14 1
104 ALA 0.63 -0.29 1
106 ARG -0.80 0.09 1
107 PHE -1.27 0.56 1
108 GLU -0.99 0.81 1
110 THR 0.12 0.12 1
111 LEU 0.34 -0.15 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18474_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.41
_LACS_plot.Line_1_terminator_val_y_1 0.77
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.19
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 -0.65
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 ALA 2.08 -1.75 0
10 ASN 6.57 -1.17 1
11 ASP 1.58 0.23 1
12 ARG -0.75 0.86 1
13 VAL -5.19 1.16 1
14 TRP -3.82 0.46 1
15 LEU -6.41 1.12 1
16 LYS 2.05 -0.09 1
17 THR 0.27 -0.12 1
19 ALA 3.37 -0.39 1
20 ASN -1.15 -0.08 1
21 THR -1.51 0.27 1
22 TRP -4.47 0.72 1
25 ALA -5.59 0.50 1
26 LYS -3.46 0.93 1
27 VAL 2.34 0.00 1
28 THR 2.13 0.25 1
29 SER -0.31 -0.06 1
30 VAL -2.18 0.61 1
31 THR -1.35 0.22 1
33 VAL 0.20 -0.03 1
34 GLU -0.36 -0.09 1
36 VAL 0.84 -0.06 1
37 ASP 0.52 -0.14 1
39 ARG 0.19 0.04 1
40 SER -0.05 -0.03 1
41 SER -0.02 0.03 1
42 GLU 0.36 -0.05 1
43 THR 0.24 -0.05 1
45 THR -0.63 0.07 1
46 SER -1.47 0.35 1
47 THR 0.38 0.23 1
48 VAL -1.60 0.30 1
49 THR 0.11 0.88 1
50 VAL -6.35 1.16 1
51 LEU -5.47 0.33 1
52 THR 0.78 0.13 1
56 THR 4.06 -0.12 1
57 GLN -1.27 0.03 1
58 ASN 0.86 -0.36 1
59 LYS -1.76 -0.06 1
60 ALA 0.22 -0.34 1
61 THR -3.49 -0.24 1
62 TYR -0.82 1.01 1
63 LYS -5.23 -0.07 1
64 ASN -3.15 0.99 1
65 VAL -4.85 0.26 1
66 ASP -0.80 0.12 1
67 SER 4.18 -0.59 1
68 HIS 0.87 0.14 1
69 SER -0.77 -0.03 1
70 SER 1.46 0.09 1
71 ALA -0.09 -0.12 1
72 ILE -5.55 1.57 1
74 PHE 4.35 0.04 1
75 PHE 0.75 -0.04 1
78 SER 0.27 -0.08 1
79 SER -0.80 -0.29 1
80 GLU 3.54 -0.30 1
81 LYS 3.32 -0.80 1
82 ALA -1.65 0.01 1
83 VAL 3.50 -0.25 1
84 THR 0.22 0.11 1
85 ALA -1.55 0.21 1
86 ASN 0.12 -0.13 1
87 GLU 3.46 -0.43 1
88 ASP 1.96 0.27 1
89 LEU 3.65 -0.97 1
90 LEU 4.25 -0.50 1
91 GLN 2.93 -0.33 1
92 ALA 3.32 -0.02 1
93 ILE 5.65 -1.11 1
94 ARG 5.05 -0.34 1
95 ASN 3.85 -0.52 1
97 GLU 2.81 -0.68 1
98 GLU -0.47 -0.29 1
99 ASP 1.45 -0.21 1
100 LYS 2.03 -0.13 1
101 GLU -0.44 0.09 1
102 SER -3.61 0.23 1
103 ASN -0.62 0.08 1
104 ALA 0.63 -0.13 1
107 PHE -1.27 -0.03 1
110 THR 0.12 -0.16 1
111 LEU 0.34 -0.08 1
stop_
save_