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 bmr5162_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -4.10
_LACS_plot.Line_1_terminator_val_y_1 -1.89
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.00
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.59
_LACS_plot.Line_2_terminator_val_x_2 8.10
_LACS_plot.Line_2_terminator_val_y_2 6.72
_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
56 ASP 5.90 1.90 0
15 MET 3.10 -0.40 0
76 PHE 4.60 0.70 0
89 GLU -4.10 -0.30 0
10 GLU 0.00 0.10 1
11 LYS -0.60 -0.20 1
12 LYS 0.70 1.20 1
13 VAL -3.80 -1.20 1
14 ASP -3.60 -3.10 1
16 SER 3.90 3.00 1
17 LYS -1.00 -0.90 1
18 VAL -3.50 -1.00 1
19 ASN 0.20 -1.90 1
20 LEU 2.70 2.00 1
21 GLU 3.60 2.80 1
22 VAL 2.10 1.20 1
23 ILE 0.30 0.40 1
24 LYS 5.20 4.70 1
26 TRP 5.80 5.50 1
27 ILE 6.70 5.50 1
28 THR 3.80 3.20 1
29 LYS 3.20 1.40 1
30 ARG 6.90 5.20 1
31 VAL 6.40 4.50 1
32 THR 2.60 2.60 1
33 GLU 3.80 4.00 1
34 ILE 0.20 0.70 1
35 LEU -2.80 -2.40 1
37 PHE -0.30 -0.80 1
38 GLU -1.80 -1.10 1
39 ASP 3.00 2.70 1
40 ASP 5.60 4.00 1
41 VAL 4.70 3.50 1
42 VAL 6.20 5.10 1
43 ILE 3.60 2.70 1
44 GLU 4.90 3.90 1
45 PHE 6.70 5.60 1
46 ILE 3.70 0.60 1
47 PHE 3.40 3.30 1
48 ASN 2.70 1.70 1
49 GLN -0.80 -0.80 1
50 LEU 0.50 -0.10 1
51 GLU -2.40 -2.10 1
52 VAL 4.20 4.20 1
53 LYS -3.50 -1.60 1
54 ASN -2.20 -1.70 1
57 SER 5.10 3.50 1
58 LYS 3.10 1.50 1
59 MET 5.80 5.40 1
60 MET 5.60 5.50 1
61 GLN 5.00 4.60 1
62 ILE 2.90 2.80 1
63 ASN 1.90 2.00 1
64 LEU 6.80 5.60 1
65 THR -1.00 1.20 1
67 PHE -1.90 -0.20 1
68 LEU 2.20 1.30 1
69 ASN 3.80 3.30 1
71 LYS 2.80 2.50 1
72 ASN 3.30 3.70 1
73 ALA 4.20 3.60 1
74 ARG 3.10 2.70 1
75 GLU 4.30 4.30 1
77 MET -1.10 0.90 1
79 GLU 2.20 2.40 1
80 LEU 8.10 7.60 1
81 TRP 3.80 3.10 1
83 LEU 3.20 2.30 1
84 LEU 2.90 2.00 1
85 LEU 1.90 1.70 1
86 SER 2.00 2.30 1
87 ALA 2.50 0.50 1
88 GLN -1.30 -0.90 1
90 ASN 2.80 2.40 1
91 ILE -1.20 -0.80 1
92 ALA -3.90 -1.30 1
94 ILE 4.70 3.30 1
96 SER 2.00 1.50 1
97 ALA -0.00 -1.90 1
98 PHE 0.70 0.80 1
99 LEU -0.20 0.00 1
100 GLU 0.40 0.30 1
101 LEU 0.10 -0.10 1
102 LYS -0.10 -0.20 1
103 LYS -0.50 0.00 1
104 GLU -0.70 -0.10 1
105 GLU 0.40 0.10 1
106 ILE 0.00 0.00 1
107 LYS -0.10 0.20 1
108 GLN 0.80 1.50 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5162_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -4.10
_LACS_plot.Line_1_terminator_val_y_1 2.21
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.00
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.41
_LACS_plot.Line_2_terminator_val_x_2 8.10
_LACS_plot.Line_2_terminator_val_y_2 -1.38
_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
56 ASP 5.90 -4.00 0
15 MET 3.10 -3.50 0
76 PHE 4.60 -3.90 0
89 GLU -4.10 3.80 0
10 GLU 0.00 0.10 1
11 LYS -0.60 0.40 1
12 LYS 0.70 0.50 1
13 VAL -3.80 2.60 1
14 ASP -3.60 0.50 1
16 SER 3.90 -0.90 1
17 LYS -1.00 0.10 1
18 VAL -3.50 2.50 1
19 ASN 0.20 -2.10 1
20 LEU 2.70 -0.70 1
21 GLU 3.60 -0.80 1
22 VAL 2.10 -0.90 1
23 ILE 0.30 0.10 1
24 LYS 5.20 -0.50 1
26 TRP 5.80 -0.30 1
27 ILE 6.70 -1.20 1
28 THR 3.80 -0.60 1
29 LYS 3.20 -1.80 1
30 ARG 6.90 -1.70 1
31 VAL 6.40 -1.90 1
32 THR 2.60 0.00 1
33 GLU 3.80 0.20 1
34 ILE 0.20 0.50 1
35 LEU -2.80 0.40 1
37 PHE -0.30 -0.50 1
38 GLU -1.80 0.70 1
39 ASP 3.00 -0.30 1
40 ASP 5.60 -1.60 1
41 VAL 4.70 -1.20 1
42 VAL 6.20 -1.10 1
43 ILE 3.60 -0.90 1
44 GLU 4.90 -1.00 1
45 PHE 6.70 -1.10 1
46 ILE 3.70 -3.10 1
47 PHE 3.40 -0.10 1
48 ASN 2.70 -1.00 1
49 GLN -0.80 0.00 1
50 LEU 0.50 -0.60 1
51 GLU -2.40 0.30 1
52 VAL 4.20 0.00 1
53 LYS -3.50 1.90 1
54 ASN -2.20 0.50 1
57 SER 5.10 -1.60 1
58 LYS 3.10 -1.60 1
59 MET 5.80 -0.40 1
60 MET 5.60 -0.10 1
61 GLN 5.00 -0.40 1
62 ILE 2.90 -0.10 1
63 ASN 1.90 0.10 1
64 LEU 6.80 -1.20 1
65 THR -1.00 2.20 1
67 PHE -1.90 1.70 1
68 LEU 2.20 -0.90 1
69 ASN 3.80 -0.50 1
71 LYS 2.80 -0.30 1
72 ASN 3.30 0.40 1
73 ALA 4.20 -0.60 1
74 ARG 3.10 -0.40 1
75 GLU 4.30 0.00 1
77 MET -1.10 2.00 1
79 GLU 2.20 0.20 1
80 LEU 8.10 -0.50 1
81 TRP 3.80 -0.70 1
83 LEU 3.20 -0.90 1
84 LEU 2.90 -0.90 1
85 LEU 1.90 -0.20 1
86 SER 2.00 0.30 1
87 ALA 2.50 -2.00 1
88 GLN -1.30 0.40 1
90 ASN 2.80 -0.40 1
91 ILE -1.20 0.40 1
92 ALA -3.90 2.60 1
94 ILE 4.70 -1.40 1
96 SER 2.00 -0.50 1
97 ALA -0.00 -1.90 1
98 PHE 0.70 0.10 1
99 LEU -0.20 0.20 1
100 GLU 0.40 -0.10 1
101 LEU 0.10 -0.20 1
102 LYS -0.10 -0.10 1
103 LYS -0.50 0.50 1
104 GLU -0.70 0.60 1
105 GLU 0.40 -0.30 1
106 ILE 0.00 0.00 1
107 LYS -0.10 0.30 1
108 GLN 0.80 0.70 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5162_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -4.10
_LACS_plot.Line_1_terminator_val_y_1 0.33
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.18
_LACS_plot.Line_2_terminator_val_x_2 8.10
_LACS_plot.Line_2_terminator_val_y_2 -0.70
_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
76 PHE 4.60 0.26 0
53 LYS -3.50 0.94 0
41 VAL 4.70 -1.16 0
10 GLU 0.00 -0.17 1
11 LYS -0.60 0.15 1
12 LYS 0.70 0.12 1
13 VAL -3.80 0.10 1
14 ASP -3.60 0.49 1
15 MET 3.10 0.05 1
16 SER 3.90 0.04 1
17 LYS -1.00 0.09 1
18 VAL -3.50 -0.14 1
19 ASN 0.20 0.15 1
20 LEU 2.70 -0.45 1
21 GLU 3.60 -0.51 1
22 VAL 2.10 0.08 1
23 ILE 0.30 0.19 1
24 LYS 5.20 -0.46 1
26 TRP 5.80 -0.62 1
27 ILE 6.70 -0.72 1
28 THR 3.80 -0.38 1
29 LYS 3.20 -0.33 1
30 ARG 6.90 -0.86 1
31 VAL 6.40 -0.48 1
32 THR 2.60 -0.41 1
33 GLU 3.80 -0.42 1
34 ILE 0.20 -0.02 1
35 LEU -2.80 0.12 1
37 PHE -0.30 -0.29 1
38 GLU -1.80 0.00 1
39 ASP 3.00 -0.36 1
40 ASP 5.60 -0.47 1
42 VAL 6.20 -1.11 1
43 ILE 3.60 -0.57 1
44 GLU 4.90 -0.28 1
45 PHE 6.70 -0.81 1
46 ILE 3.70 -0.22 1
47 PHE 3.40 -0.19 1
48 ASN 2.70 -0.30 1
49 GLN -0.80 0.19 1
50 LEU 0.50 -0.03 1
51 GLU -2.40 0.18 1
52 VAL 4.20 -0.29 1
54 ASN -2.20 0.24 1
56 ASP 5.90 -1.06 1
57 SER 5.10 -0.56 1
58 LYS 3.10 -0.08 1
59 MET 5.80 -0.18 1
60 MET 5.60 -0.47 1
61 GLN 5.00 -0.44 1
62 ILE 2.90 -0.14 1
63 ASN 1.90 0.04 1
64 LEU 6.80 -0.55 1
65 THR -1.00 0.17 1
67 PHE -1.90 0.21 1
68 LEU 2.20 -0.11 1
69 ASN 3.80 -0.18 1
71 LYS 2.80 -0.12 1
72 ASN 3.30 -0.20 1
73 ALA 4.20 -0.34 1
74 ARG 3.10 -0.19 1
75 GLU 4.30 -0.19 1
77 MET -1.10 0.17 1
79 GLU 2.20 -0.52 1
80 LEU 8.10 -0.69 1
81 TRP 3.80 -0.44 1
83 LEU 3.20 -0.69 1
84 LEU 2.90 -0.60 1
85 LEU 1.90 -0.21 1
86 SER 2.00 -0.74 1
87 ALA 2.50 0.11 1
88 GLN -1.30 0.10 1
89 GLU -4.10 0.29 1
90 ASN 2.80 -0.11 1
91 ILE -1.20 0.24 1
92 ALA -3.90 0.10 1
94 ILE 4.70 -0.42 1
96 SER 2.00 -0.13 1
97 ALA -0.00 0.21 1
98 PHE 0.70 0.02 1
99 LEU -0.20 -0.04 1
100 GLU 0.40 0.03 1
101 LEU 0.10 0.06 1
102 LYS -0.10 0.06 1
103 LYS -0.50 -0.02 1
104 GLU -0.70 0.00 1
105 GLU 0.40 0.02 1
106 ILE 0.00 0.09 1
107 LYS -0.10 0.05 1
108 GLN 0.80 -0.12 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5162_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -4.10
_LACS_plot.Line_1_terminator_val_y_1 -1.73
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.58
_LACS_plot.Line_2_terminator_val_x_2 6.90
_LACS_plot.Line_2_terminator_val_y_2 2.72
_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
90 ASN -4.10 1.90 0
10 GLU 0.00 0.40 1
11 LYS -0.60 0.00 1
12 LYS 0.70 -0.40 1
13 VAL -3.80 -1.80 1
14 ASP -3.60 0.70 1
15 MET 3.10 3.60 1
16 SER 3.90 1.20 1
17 LYS -1.00 -2.30 1
18 VAL -3.50 -2.00 1
19 ASN 0.20 -0.30 1
20 LEU 2.70 0.70 1
21 GLU 3.60 2.60 1
22 VAL 2.10 -0.10 1
23 ILE 0.30 0.70 1
26 TRP 5.20 1.60 1
27 ILE 5.80 0.80 1
28 THR 6.70 1.90 1
29 LYS 3.80 1.60 1
30 ARG 3.20 2.80 1
31 VAL 6.90 0.90 1
32 THR 6.40 2.70 1
33 GLU 2.60 2.30 1
34 ILE 3.80 1.50 1
35 LEU 0.20 0.80 1
37 PHE -2.80 -3.70 1
38 GLU -0.30 -2.40 1
39 ASP -1.80 -0.90 1
40 ASP 3.00 1.40 1
41 VAL 5.60 2.60 1
42 VAL 4.70 0.80 1
43 ILE 6.20 -0.20 1
44 GLU 3.60 2.10 1
45 PHE 4.90 2.30 1
46 ILE 6.70 1.40 1
47 PHE 3.70 2.80 1
48 ASN 3.40 3.90 1
49 GLN 2.70 0.80 1
50 LEU -0.80 -1.50 1
51 GLU 0.50 0.20 1
52 VAL -2.40 -1.80 1
53 LYS 4.20 0.10 1
56 ASP -2.20 0.10 1
57 SER 5.90 1.20 1
58 LYS 5.10 2.50 1
59 MET 3.10 3.10 1
60 MET 5.80 1.90 1
61 GLN 5.60 3.50 1
62 ILE 5.00 3.30 1
63 ASN 2.90 3.40 1
64 LEU 1.90 1.10 1
65 THR 6.80 1.10 1
67 PHE -1.00 0.90 1
68 LEU -1.90 -0.70 1
69 ASN 2.20 1.20 1
71 LYS 3.80 2.10 1
72 ASN 2.80 3.00 1
73 ALA 3.30 1.20 1
74 ARG 4.20 3.30 1
75 GLU 3.10 2.80 1
76 PHE 4.30 2.50 1
77 MET 4.60 2.40 1
79 GLU -1.10 1.60 1
80 LEU 2.20 0.20 1
83 LEU 3.80 1.50 1
84 LEU 3.20 0.90 1
85 LEU 2.90 2.20 1
86 SER 1.90 3.00 1
87 ALA 2.00 0.90 1
88 GLN 2.50 0.50 1
89 GLU -1.30 -0.70 1
91 ILE 2.80 -0.60 1
92 ALA -1.20 0.20 1
96 SER 4.70 1.90 1
97 ALA 2.00 1.00 1
98 PHE -0.00 0.80 1
99 LEU 0.70 -0.10 1
100 GLU -0.20 0.00 1
101 LEU 0.40 -0.20 1
102 LYS 0.10 0.00 1
103 LYS -0.10 0.20 1
104 GLU -0.50 -0.10 1
105 GLU -0.70 -0.10 1
106 ILE 0.40 -0.20 1
107 LYS 0.00 -0.20 1
108 GLN -0.10 -0.90 1
stop_
save_