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 bmr6198_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.72
_LACS_plot.Line_1_terminator_val_y_1 -3.29
_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 -1.82
_LACS_plot.Line_2_terminator_val_x_2 7.30
_LACS_plot.Line_2_terminator_val_y_2 4.51
_LACS_plot.Y_axis_chem_shift_offset 0.56
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 PHE -5.16 -0.87 0
10 ASN 0.94 -2.60 0
11 ARG -2.80 -3.30 1
13 LYS 3.88 1.73 1
15 SER 2.77 1.80 1
17 ILE 0.27 0.41 1
18 SER -1.11 -1.47 1
19 GLU 3.30 2.43 1
20 HIS -4.25 -0.92 1
21 PHE 3.37 2.98 1
23 ARG -1.15 -2.85 1
24 ALA -0.74 -0.55 1
26 TYR -6.72 -3.00 1
28 ALA -4.22 -3.10 1
29 PHE -0.21 -0.87 1
30 VAL -2.33 -2.07 1
31 LYS -1.08 -1.30 1
32 VAL -2.33 -2.07 1
33 LYS -3.45 -1.57 1
34 ASN 3.42 0.70 1
35 ASN 2.32 0.70 1
36 ALA -4.77 -2.55 1
37 ILE 3.86 2.34 1
38 ALA -1.20 -0.63 1
39 ASP -3.20 -0.68 1
40 ILE -2.21 -0.42 1
41 SER -3.04 -2.30 1
42 VAL 0.43 -0.97 1
43 GLU -6.33 -2.80 1
44 GLU 0.27 -0.05 1
45 ASN -2.14 -2.73 1
47 LEU -0.32 -1.58 1
48 ALA 2.66 1.58 1
49 GLN 0.95 -0.25 1
50 ASP -0.44 -0.68 1
51 HIS 0.04 0.07 1
52 VAL 0.43 -0.69 1
55 ALA -0.10 -0.63 1
56 VAL 4.24 2.90 1
58 ASN 3.20 1.61 1
59 PHE 5.39 3.44 1
60 VAL 2.78 1.73 1
61 LYS 3.30 1.88 1
62 GLU 0.58 -1.57 1
63 LYS -0.65 -0.08 1
65 ALA -3.30 -1.42 1
66 GLU -5.29 -2.15 1
67 LEU -4.25 -3.72 1
68 VAL -1.10 -1.24 1
69 ILE -6.18 -5.10 1
70 VAL 4.07 1.65 1
71 ARG -0.00 -0.52 1
73 ILE 4.35 2.65 1
75 ARG 4.91 2.38 1
76 ARG 3.49 1.58 1
77 ALA 6.06 4.54 1
78 ILE 3.49 1.58 1
79 ALA 3.76 1.58 1
80 ALA 6.12 2.98 1
81 PHE 3.85 2.43 1
82 GLU 2.93 1.30 1
83 ALA -1.41 -0.33 1
84 MET -0.95 -1.24 1
86 VAL -0.53 -0.75 1
87 LYS -3.15 -2.34 1
88 VAL -1.38 -0.97 1
89 ILE -3.01 -2.68 1
90 LYS -2.02 -1.18 1
92 ALA -2.48 -1.47 1
93 SER -3.83 -2.49 1
95 THR 6.21 4.26 1
96 VAL 2.86 2.43 1
97 GLU 4.83 2.61 1
99 VAL 7.31 4.54 1
100 VAL 5.34 2.90 1
101 ASN 4.53 3.06 1
102 GLN 4.57 2.78 1
103 TYR 3.26 1.45 1
104 LEU 0.27 -0.37 1
105 SER -0.15 -0.35 1
107 GLN -1.24 -1.40 1
108 LEU -2.84 -2.23 1
109 LYS -0.43 -0.12 1
110 ASP -1.00 -0.92 1
111 SER 0.29 -0.50 1
112 ASP 0.16 -0.25 1
113 TYR -1.20 -1.25 1
114 GLU 0.70 -0.42 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6198_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.72
_LACS_plot.Line_1_terminator_val_y_1 3.43
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.86
_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 7.30
_LACS_plot.Line_2_terminator_val_y_2 -2.79
_LACS_plot.Y_axis_chem_shift_offset 0.56
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
27 PHE -5.16 4.29 0
10 ASN 0.94 -3.54 0
11 ARG -2.80 -0.50 1
13 LYS 3.88 -2.15 1
15 SER 2.77 -0.97 1
17 ILE 0.27 0.14 1
18 SER -1.11 -0.36 1
19 GLU 3.30 -0.87 1
20 HIS -4.25 3.33 1
21 PHE 3.37 -0.39 1
23 ARG -1.15 -1.70 1
24 ALA -0.74 0.19 1
26 TYR -6.72 3.72 1
28 ALA -4.22 1.12 1
29 PHE -0.21 -0.66 1
30 VAL -2.33 0.26 1
31 LYS -1.08 -0.22 1
32 VAL -2.33 0.26 1
33 LYS -3.45 1.88 1
34 ASN 3.42 -2.72 1
35 ASN 2.32 -1.62 1
36 ALA -4.77 2.22 1
37 ILE 3.86 -1.52 1
38 ALA -1.20 0.57 1
39 ASP -3.20 2.52 1
40 ILE -2.21 1.79 1
41 SER -3.04 0.74 1
42 VAL 0.43 -1.40 1
43 GLU -6.33 3.53 1
44 GLU 0.27 -0.32 1
45 ASN -2.14 -0.59 1
47 LEU -0.32 -1.26 1
48 ALA 2.66 -1.08 1
49 GLN 0.95 -1.20 1
50 ASP -0.44 -0.24 1
51 HIS 0.04 0.03 1
52 VAL 0.43 -1.12 1
55 ALA -0.10 -0.53 1
56 VAL 4.24 -1.34 1
58 ASN 3.20 -1.59 1
59 PHE 5.39 -1.95 1
60 VAL 2.78 -1.05 1
61 LYS 3.30 -1.42 1
62 GLU 0.58 -2.15 1
63 LYS -0.65 0.57 1
65 ALA -3.30 1.88 1
66 GLU -5.29 3.14 1
67 LEU -4.25 0.53 1
68 VAL -1.10 -0.14 1
69 ILE -6.18 1.08 1
70 VAL 4.07 -2.42 1
71 ARG -0.00 -0.52 1
73 ILE 4.35 -1.70 1
75 ARG 4.91 -2.53 1
76 ARG 3.49 -1.91 1
77 ALA 6.06 -1.52 1
78 ILE 3.49 -1.91 1
79 ALA 3.76 -2.18 1
80 ALA 6.12 -3.14 1
81 PHE 3.85 -1.42 1
82 GLU 2.93 -1.63 1
83 ALA -1.41 1.08 1
84 MET -0.95 -0.29 1
86 VAL -0.53 -0.22 1
87 LYS -3.15 0.81 1
88 VAL -1.38 0.41 1
89 ILE -3.01 0.33 1
90 LYS -2.02 0.84 1
92 ALA -2.48 1.01 1
93 SER -3.83 1.34 1
95 THR 6.21 -1.95 1
96 VAL 2.86 -0.43 1
97 GLU 4.83 -2.22 1
99 VAL 7.31 -2.77 1
100 VAL 5.34 -2.44 1
101 ASN 4.53 -1.47 1
102 GLN 4.57 -1.79 1
103 TYR 3.26 -1.81 1
104 LEU 0.27 -0.64 1
105 SER -0.15 -0.20 1
107 GLN -1.24 -0.16 1
108 LEU -2.84 0.61 1
109 LYS -0.43 0.31 1
110 ASP -1.00 0.08 1
111 SER 0.29 -0.79 1
112 ASP 0.16 -0.41 1
113 TYR -1.20 -0.05 1
114 GLU 0.70 -1.12 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6198_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.72
_LACS_plot.Line_1_terminator_val_y_1 0.61
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.15
_LACS_plot.Line_2_terminator_val_x_2 7.30
_LACS_plot.Line_2_terminator_val_y_2 -0.73
_LACS_plot.Y_axis_chem_shift_offset 0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
42 VAL 0.43 0.88 0
10 ASN 0.94 -0.43 1
11 ARG -2.80 0.20 1
13 LYS 3.88 -0.46 1
15 SER 2.77 -0.66 1
17 ILE 0.27 0.08 1
18 SER -1.11 -0.21 1
19 GLU 3.30 -0.57 1
20 HIS -4.25 0.07 1
21 PHE 3.37 -0.27 1
23 ARG -1.15 -0.12 1
24 ALA -0.74 -0.51 1
26 TYR -6.72 0.53 1
27 PHE -5.16 0.25 1
28 ALA -4.22 0.74 1
29 PHE -0.21 0.54 1
30 VAL -2.33 0.49 1
31 LYS -1.08 0.66 1
32 VAL -2.33 0.66 1
33 LYS -3.45 0.22 1
34 ASN 3.42 -0.49 1
35 ASN 2.32 -0.77 1
36 ALA -4.77 0.27 1
37 ILE 3.86 -0.48 1
38 ALA -1.20 0.23 1
39 ASP -3.20 0.12 1
40 ILE -2.21 0.51 1
41 SER -3.04 0.41 1
43 GLU -6.33 0.65 1
44 GLU 0.27 -0.23 1
45 ASN -2.14 -0.51 1
47 LEU -0.32 -0.03 1
48 ALA 2.66 -0.34 1
49 GLN 0.95 -0.12 1
50 ASP -0.44 -0.27 1
51 HIS 0.04 -0.18 1
52 VAL 0.43 -0.09 1
55 ALA -0.10 0.22 1
56 VAL 4.24 -0.57 1
58 ASN 3.20 -0.31 1
59 PHE 5.39 -0.97 1
60 VAL 2.78 -0.23 1
61 LYS 3.30 -0.42 1
62 GLU 0.58 -0.52 1
63 LYS -0.65 -0.27 1
65 ALA -3.30 0.15 1
66 GLU -5.29 0.57 1
67 LEU -4.25 1.03 1
68 VAL -1.10 0.57 1
69 ILE -6.18 0.57 1
70 VAL 4.07 0.18 1
71 ARG -0.00 0.38 1
73 ILE 4.35 -0.43 1
75 ARG 4.91 -0.30 1
76 ARG 3.49 -0.33 1
77 ALA 6.06 -0.59 1
78 ILE 3.49 -0.16 1
79 ALA 3.76 -0.23 1
80 ALA 6.12 -0.28 1
81 PHE 3.85 -0.27 1
82 GLU 2.93 -0.13 1
83 ALA -1.41 0.02 1
84 MET -0.95 -0.27 1
86 VAL -0.53 -0.12 1
87 LYS -3.15 0.58 1
88 VAL -1.38 0.06 1
89 ILE -3.01 0.67 1
90 LYS -2.02 -0.06 1
92 ALA -2.48 -0.10 1
93 SER -3.83 0.55 1
95 THR 6.21 -0.86 1
96 VAL 2.86 -0.76 1
97 GLU 4.83 -0.29 1
99 VAL 7.31 -0.64 1
100 VAL 5.34 -0.24 1
101 ASN 4.53 -0.37 1
102 GLN 4.57 -0.30 1
103 TYR 3.26 -0.66 1
104 LEU 0.27 -0.07 1
105 SER -0.15 -0.13 1
107 GLN -1.24 0.17 1
108 LEU -2.84 0.14 1
109 LYS -0.43 0.01 1
110 ASP -1.00 -0.01 1
111 SER 0.29 -0.08 1
112 ASP 0.16 -0.13 1
113 TYR -1.20 -0.15 1
114 GLU 0.70 -0.17 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6198_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.72
_LACS_plot.Line_1_terminator_val_y_1 -3.58
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.27
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.93
_LACS_plot.Line_2_terminator_val_x_2 7.30
_LACS_plot.Line_2_terminator_val_y_2 1.79
_LACS_plot.Y_axis_chem_shift_offset 1.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
13 LYS 3.88 -3.74 0
10 ASN 0.94 -0.75 1
11 ARG -2.80 0.67 1
17 ILE 0.27 -1.06 1
18 SER -1.11 -0.24 1
19 GLU 3.30 -1.12 1
21 PHE 3.37 -1.66 1
23 ARG -1.15 -1.52 1
26 TYR -6.72 -2.84 1
27 PHE -5.16 -2.61 1
28 ALA -4.22 -3.17 1
29 PHE -0.21 -0.80 1
30 VAL -2.33 -2.34 1
31 LYS -1.08 -1.86 1
32 VAL -2.33 -1.48 1
34 ASN 3.42 -1.59 1
35 ASN 2.32 -3.46 1
36 ALA -4.77 -2.44 1
37 ILE 3.86 -1.32 1
38 ALA -1.20 -1.58 1
39 ASP -3.20 -2.92 1
40 ILE -2.21 -2.82 1
41 SER -3.04 -1.87 1
42 VAL 0.43 -1.62 1
43 GLU -6.33 -1.62 1
44 GLU 0.27 -1.81 1
47 LEU -0.32 -1.58 1
48 ALA 2.66 0.20 1
49 GLN 0.95 -0.79 1
51 HIS 0.04 0.64 1
55 ALA -0.10 -0.13 1
58 ASN 4.24 0.68 1
59 PHE 3.20 -0.40 1
60 VAL 5.39 0.44 1
61 LYS 2.78 3.40 1
62 GLU 3.30 1.18 1
63 LYS 0.58 -0.81 1
65 ALA -0.65 -1.74 1
66 GLU -3.30 -2.50 1
67 LEU -5.29 -4.72 1
68 VAL -4.25 -3.25 1
69 ILE -1.10 -3.27 1
70 VAL -6.18 -2.40 1
71 ARG 4.07 -1.29 1
73 ILE -0.00 -4.47 1
76 ARG 4.91 2.10 1
77 ALA 3.49 0.47 1
78 ILE 6.06 0.73 1
79 ALA 3.49 2.16 1
80 ALA 3.76 1.94 1
81 PHE 6.12 2.49 1
82 GLU 3.85 3.38 1
83 ALA 2.93 0.56 1
84 MET -1.41 -1.01 1
86 VAL -0.95 -2.35 1
87 LYS -0.53 -2.86 1
88 VAL -3.15 -1.23 1
89 ILE -1.38 -3.50 1
90 LYS -3.01 -0.46 1
92 ALA -2.02 -3.47 1
93 SER -2.48 -3.02 1
95 THR -3.83 0.30 1
96 VAL 6.21 -0.80 1
97 GLU 2.86 0.28 1
99 VAL 4.83 1.46 1
100 VAL 7.31 0.94 1
101 ASN 5.34 3.53 1
102 GLN 4.53 1.91 1
103 TYR 4.57 2.78 1
104 LEU 3.26 0.14 1
105 SER 0.27 -0.13 1
107 GLN -0.15 -1.00 1
108 LEU -1.24 -3.17 1
109 LYS -2.84 -1.82 1
110 ASP -0.43 -0.93 1
111 SER -1.00 0.66 1
112 ASP 0.29 -1.01 1
113 TYR 0.16 -1.24 1
114 GLU -1.20 -1.60 1
115 VAL 0.70 -3.13 1
stop_
save_