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 bmr18548_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.94
_LACS_plot.Line_1_terminator_val_y_1 -2.72
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.04
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.09
_LACS_plot.Line_2_terminator_val_x_2 6.31
_LACS_plot.Line_2_terminator_val_y_2 4.94
_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
28 ASN -6.22 0.42 0
10 LYS 3.10 2.39 1
11 ALA 4.38 3.10 1
12 LEU 3.87 2.78 1
13 GLU 3.15 3.01 1
14 VAL 5.63 4.39 1
15 TYR 4.81 4.27 1
16 ASP 3.40 3.06 1
17 LEU -0.06 1.55 1
18 ILE 2.48 1.64 1
19 ARG 5.25 2.42 1
20 THR 0.05 -1.03 1
21 ILE 2.16 1.67 1
22 ARG -0.60 0.01 1
23 ASP -1.76 1.68 1
25 GLU -3.45 0.16 1
26 LYS -0.58 0.08 1
29 THR -3.24 -1.48 1
30 LEU 2.81 2.42 1
31 GLU 1.74 2.73 1
32 GLU 2.56 2.67 1
33 LEU -1.48 -0.79 1
34 GLU 4.64 1.42 1
35 VAL 1.21 1.32 1
36 VAL -6.75 -4.10 1
37 SER -2.32 -0.54 1
38 GLU 4.29 3.66 1
39 SER 1.34 0.72 1
41 VAL -2.50 -1.12 1
42 GLU -5.35 -1.33 1
43 VAL -3.07 -1.46 1
44 GLN -5.30 -2.19 1
45 GLU -0.84 0.52 1
46 ILE 1.94 1.92 1
47 ASN -1.55 -0.84 1
48 GLU 3.08 2.49 1
49 GLU -0.71 -0.09 1
50 GLU -3.90 -0.54 1
51 TYR -3.09 -0.38 1
52 LEU -2.90 -0.93 1
53 VAL -1.53 -0.92 1
54 ILE -3.39 -1.13 1
55 ILE -4.79 -1.83 1
56 ARG -2.96 -1.99 1
57 PHE -5.13 -2.68 1
58 THR -1.65 -0.68 1
60 THR 3.30 2.77 1
61 VAL -3.25 -1.43 1
63 HIS -0.49 1.02 1
65 SER 4.27 2.97 1
66 LEU 1.56 1.42 1
67 ALA 3.80 3.64 1
68 THR 6.19 4.72 1
69 LEU 3.16 3.42 1
70 ILE 6.32 5.28 1
72 LEU 3.08 2.98 1
74 LEU 3.34 3.32 1
75 ARG 4.47 3.83 1
76 VAL 5.45 4.32 1
77 LYS 3.66 3.57 1
78 LEU 5.22 3.00 1
79 GLN 4.72 3.57 1
80 ARG 1.76 3.06 1
82 LEU 0.16 0.09 1
84 PHE -5.34 -4.18 1
85 LYS 2.11 1.47 1
86 HIS -2.74 0.66 1
87 LYS -3.37 -0.93 1
88 LEU -4.78 -1.58 1
89 GLU -4.10 -0.99 1
90 ILE -4.34 -2.32 1
91 TYR -6.94 -2.63 1
92 ILE -1.38 -1.49 1
93 SER 1.45 0.96 1
94 GLU 1.06 1.17 1
96 THR 1.25 0.97 1
98 SER 2.09 1.97 1
99 THR -0.04 -0.73 1
100 GLU 2.45 2.39 1
101 GLU 2.47 2.34 1
102 ASP 2.09 2.07 1
103 ILE 4.96 4.03 1
104 ASN 3.51 2.67 1
105 LYS 3.61 3.07 1
106 GLN 4.12 3.78 1
107 ILE 2.60 1.76 1
108 ASN -1.46 0.97 1
109 ASP -1.34 -0.18 1
110 LYS 4.64 4.00 1
111 GLU 3.34 2.67 1
112 ARG 3.68 2.62 1
113 VAL 5.61 4.62 1
114 ALA 3.85 2.69 1
115 ALA 3.29 2.31 1
116 ALA 3.34 2.75 1
117 MET 2.08 0.20 1
118 GLU -0.28 -0.08 1
119 ASN -1.07 -0.65 1
121 ASN 3.30 2.95 1
122 LEU 3.24 2.17 1
123 ARG 4.63 3.72 1
124 GLU 3.18 2.79 1
125 ILE 3.75 3.42 1
126 VAL 4.80 4.07 1
127 GLU 3.30 2.16 1
128 GLN 3.28 2.63 1
130 VAL 0.61 -0.68 1
131 LEU 0.26 0.42 1
132 GLU -0.21 0.17 1
134 ASP 0.86 0.59 1
135 GLN 0.29 0.35 1
136 LEU 0.51 0.42 1
137 GLU -0.11 0.21 1
138 HIS -0.46 1.05 1
139 HIS 1.03 2.51 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18548_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.94
_LACS_plot.Line_1_terminator_val_y_1 4.22
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.96
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.91
_LACS_plot.Line_2_terminator_val_x_2 6.31
_LACS_plot.Line_2_terminator_val_y_2 -1.37
_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
28 ASN -6.22 6.64 0
10 LYS 3.10 -0.71 1
11 ALA 4.38 -1.28 1
12 LEU 3.87 -1.09 1
13 GLU 3.15 -0.14 1
14 VAL 5.63 -1.24 1
15 TYR 4.81 -0.54 1
16 ASP 3.40 -0.34 1
17 LEU -0.06 1.61 1
18 ILE 2.48 -0.84 1
19 ARG 5.25 -2.83 1
20 THR 0.05 -1.08 1
21 ILE 2.16 -0.49 1
22 ARG -0.60 0.61 1
23 ASP -1.76 3.44 1
25 GLU -3.45 3.61 1
26 LYS -0.58 0.66 1
29 THR -3.24 1.76 1
30 LEU 2.81 -0.39 1
31 GLU 1.74 0.99 1
32 GLU 2.56 0.11 1
33 LEU -1.48 0.69 1
34 GLU 4.64 -3.22 1
35 VAL 1.21 0.11 1
36 VAL -6.75 2.65 1
37 SER -2.32 1.78 1
38 GLU 4.29 -0.63 1
39 SER 1.34 -0.62 1
41 VAL -2.50 1.38 1
42 GLU -5.35 4.02 1
43 VAL -3.07 1.61 1
44 GLN -5.30 3.11 1
45 GLU -0.84 1.36 1
46 ILE 1.94 -0.02 1
47 ASN -1.55 0.71 1
48 GLU 3.08 -0.59 1
49 GLU -0.71 0.62 1
50 GLU -3.90 3.36 1
51 TYR -3.09 2.71 1
52 LEU -2.90 1.97 1
53 VAL -1.53 0.61 1
54 ILE -3.39 2.26 1
55 ILE -4.79 2.96 1
56 ARG -2.96 0.97 1
57 PHE -5.13 2.45 1
58 THR -1.65 0.97 1
60 THR 3.30 -0.53 1
61 VAL -3.25 1.82 1
63 HIS -0.49 1.51 1
65 SER 4.27 -1.30 1
66 LEU 1.56 -0.14 1
67 ALA 3.80 -0.16 1
68 THR 6.19 -1.47 1
69 LEU 3.16 0.26 1
70 ILE 6.32 -1.04 1
72 LEU 3.08 -0.10 1
74 LEU 3.34 -0.02 1
75 ARG 4.47 -0.64 1
76 VAL 5.45 -1.13 1
77 LYS 3.66 -0.09 1
78 LEU 5.22 -2.22 1
79 GLN 4.72 -1.15 1
80 ARG 1.76 1.30 1
82 LEU 0.16 -0.07 1
84 PHE -5.34 1.16 1
85 LYS 2.11 -0.64 1
86 HIS -2.74 3.40 1
87 LYS -3.37 2.44 1
88 LEU -4.78 3.20 1
89 GLU -4.10 3.11 1
90 ILE -4.34 2.02 1
91 TYR -6.94 4.31 1
92 ILE -1.38 -0.11 1
93 SER 1.45 -0.49 1
94 GLU 1.06 0.11 1
96 THR 1.25 -0.28 1
98 SER 2.09 -0.12 1
99 THR -0.04 -0.69 1
100 GLU 2.45 -0.06 1
101 GLU 2.47 -0.13 1
102 ASP 2.09 -0.02 1
103 ILE 4.96 -0.93 1
104 ASN 3.51 -0.84 1
105 LYS 3.61 -0.54 1
106 GLN 4.12 -0.34 1
107 ILE 2.60 -0.84 1
108 ASN -1.46 2.43 1
109 ASP -1.34 1.16 1
110 LYS 4.64 -0.64 1
111 GLU 3.34 -0.67 1
112 ARG 3.68 -1.06 1
113 VAL 5.61 -0.99 1
114 ALA 3.85 -1.16 1
115 ALA 3.29 -0.98 1
116 ALA 3.34 -0.59 1
117 MET 2.08 -1.88 1
118 GLU -0.28 0.20 1
119 ASN -1.07 0.42 1
121 ASN 3.30 -0.35 1
122 LEU 3.24 -1.07 1
123 ARG 4.63 -0.91 1
124 GLU 3.18 -0.39 1
125 ILE 3.75 -0.33 1
126 VAL 4.80 -0.73 1
127 GLU 3.30 -1.14 1
128 GLN 3.28 -0.65 1
130 VAL 0.61 -1.29 1
131 LEU 0.26 0.16 1
132 GLU -0.21 0.38 1
134 ASP 0.86 -0.27 1
135 GLN 0.29 0.06 1
136 LEU 0.51 -0.09 1
137 GLU -0.11 0.32 1
138 HIS -0.46 1.51 1
139 HIS 1.03 1.48 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18548_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.94
_LACS_plot.Line_1_terminator_val_y_1 0.66
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.20
_LACS_plot.Line_2_terminator_val_x_2 6.31
_LACS_plot.Line_2_terminator_val_y_2 -0.58
_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
56 ARG -2.96 1.56 0
86 HIS -2.74 1.56 0
38 GLU 4.29 -1.65 0
10 LYS 3.10 -0.16 1
11 ALA 4.38 -0.41 1
12 LEU 3.87 -0.12 1
13 GLU 3.15 -0.24 1
14 VAL 5.63 -0.71 1
15 TYR 4.81 -0.49 1
16 ASP 3.40 -0.50 1
17 LEU -0.06 -0.12 1
18 ILE 2.48 0.04 1
19 ARG 5.25 -0.72 1
20 THR 0.05 -0.16 1
21 ILE 2.16 -0.22 1
22 ARG -0.60 -0.02 1
23 ASP -1.76 -0.34 1
25 GLU -3.45 0.14 1
26 LYS -0.58 -0.02 1
28 ASN -6.22 0.47 1
29 THR -3.24 0.58 1
30 LEU 2.81 -0.37 1
31 GLU 1.74 -0.08 1
32 GLU 2.56 -0.33 1
33 LEU -1.48 0.02 1
34 GLU 4.64 -0.36 1
35 VAL 1.21 0.38 1
36 VAL -6.75 0.86 1
37 SER -2.32 0.41 1
39 SER 1.34 -0.08 1
41 VAL -2.50 0.81 1
42 GLU -5.35 0.35 1
43 VAL -3.07 1.27 1
44 GLN -5.30 0.67 1
45 GLU -0.84 -0.12 1
46 ILE 1.94 0.00 1
47 ASN -1.55 -0.18 1
48 GLU 3.08 -0.36 1
49 GLU -0.71 -0.13 1
50 GLU -3.90 0.34 1
51 TYR -3.09 0.54 1
52 LEU -2.90 0.72 1
53 VAL -1.53 0.70 1
54 ILE -3.39 1.22 1
55 ILE -4.79 0.87 1
57 PHE -5.13 0.93 1
58 THR -1.65 0.18 1
60 THR 3.30 -0.25 1
61 VAL -3.25 0.20 1
63 HIS -0.49 -0.12 1
65 SER 4.27 -0.08 1
66 LEU 1.56 0.04 1
67 ALA 3.80 -0.20 1
68 THR 6.19 -0.55 1
69 LEU 3.16 -0.35 1
70 ILE 6.32 -0.69 1
72 LEU 3.08 -0.29 1
74 LEU 3.34 -0.79 1
75 ARG 4.47 -0.64 1
76 VAL 5.45 -0.54 1
77 LYS 3.66 -0.44 1
78 LEU 5.22 -0.52 1
79 GLN 4.72 -0.20 1
80 ARG 1.76 -0.14 1
82 LEU 0.16 -0.48 1
84 PHE -5.34 0.47 1
85 LYS 2.11 0.04 1
87 LYS -3.37 0.22 1
88 LEU -4.78 1.38 1
89 GLU -4.10 0.07 1
90 ILE -4.34 0.88 1
91 TYR -6.94 0.59 1
92 ILE -1.38 -0.20 1
93 SER 1.45 -0.38 1
94 GLU 1.06 -0.13 1
96 THR 1.25 -0.05 1
98 SER 2.09 -0.07 1
99 THR -0.04 0.31 1
100 GLU 2.45 -0.36 1
101 GLU 2.47 -0.15 1
102 ASP 2.09 -0.09 1
103 ILE 4.96 -0.51 1
104 ASN 3.51 -0.17 1
105 LYS 3.61 -0.12 1
106 GLN 4.12 -0.32 1
107 ILE 2.60 0.04 1
108 ASN -1.46 0.08 1
109 ASP -1.34 0.08 1
110 LYS 4.64 -0.46 1
111 GLU 3.34 -0.16 1
112 ARG 3.68 -0.19 1
113 VAL 5.61 -0.57 1
114 ALA 3.85 -0.31 1
115 ALA 3.29 -0.21 1
116 ALA 3.34 -0.16 1
117 MET 2.08 -0.09 1
118 GLU -0.28 -0.12 1
119 ASN -1.07 -0.03 1
121 ASN 3.30 -0.24 1
122 LEU 3.24 -0.13 1
123 ARG 4.63 -0.53 1
124 GLU 3.18 -0.32 1
125 ILE 3.75 -0.36 1
126 VAL 4.80 -0.45 1
127 GLU 3.30 -0.29 1
128 GLN 3.28 -0.24 1
130 VAL 0.61 0.33 1
131 LEU 0.26 -0.19 1
132 GLU -0.21 -0.08 1
134 ASP 0.86 -0.14 1
135 GLN 0.29 -0.05 1
136 LEU 0.51 -0.11 1
137 GLU -0.11 -0.20 1
138 HIS -0.46 -0.18 1
139 HIS 1.03 -0.32 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18548_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.94
_LACS_plot.Line_1_terminator_val_y_1 4.33
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.85
_LACS_plot.Line_2_terminator_val_x_2 6.31
_LACS_plot.Line_2_terminator_val_y_2 -2.29
_LACS_plot.Y_axis_chem_shift_offset -0.82
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
68 THR 6.19 2.64 0
10 LYS 3.10 -1.46 1
11 ALA 4.38 -4.25 1
12 LEU 3.87 -3.18 1
13 GLU 3.15 -2.92 1
14 VAL 5.63 -1.07 1
15 TYR 4.81 1.06 1
16 ASP 3.40 -0.82 1
17 LEU -0.06 -2.68 1
18 ILE 2.48 -0.53 1
19 ARG 5.25 2.36 1
20 THR 0.05 3.37 1
21 ILE 2.16 2.18 1
22 ARG -0.60 2.00 1
23 ASP -1.76 3.37 1
25 GLU -3.45 0.27 1
28 ASN -6.22 4.67 1
29 THR -3.24 2.29 1
30 LEU 2.81 -4.08 1
31 GLU 1.74 -3.29 1
32 GLU 2.56 -1.78 1
33 LEU -1.48 0.27 1
34 GLU 4.64 1.21 1
35 VAL 1.21 -0.18 1
36 VAL -6.75 3.98 1
37 SER -2.32 4.05 1
38 GLU 4.29 -0.53 1
39 SER 1.34 3.55 1
41 VAL -2.50 3.12 1
42 GLU -5.35 2.68 1
43 VAL -3.07 2.54 1
44 GLN -5.30 2.11 1
45 GLU -0.84 0.59 1
46 ILE 1.94 1.28 1
47 ASN -1.55 4.49 1
48 GLU 3.08 0.33 1
49 GLU -0.71 2.49 1
50 GLU -3.90 2.59 1
51 TYR -3.09 3.45 1
52 LEU -2.90 1.41 1
53 VAL -1.53 3.84 1
54 ILE -3.39 0.91 1
55 ILE -4.79 2.55 1
56 ARG -2.96 1.58 1
57 PHE -5.13 4.18 1
60 THR 3.30 3.86 1
61 VAL -3.25 3.09 1
66 LEU 1.56 -2.17 1
67 ALA 3.80 -3.30 1
69 LEU 3.16 -3.38 1
70 ILE 6.32 -0.89 1
72 LEU 3.08 -2.59 1
74 LEU 3.34 -1.27 1
75 ARG 4.47 -1.25 1
76 VAL 5.45 -0.86 1
77 LYS 3.66 -1.83 1
78 LEU 5.22 -2.72 1
79 GLN 4.72 -1.58 1
80 ARG 1.76 -1.76 1
82 LEU 0.16 0.64 1
84 PHE -5.34 3.19 1
85 LYS 2.11 0.30 1
86 HIS -2.74 5.70 1
87 LYS -3.37 2.55 1
88 LEU -4.78 -0.23 1
89 GLU -4.10 3.44 1
90 ILE -4.34 3.41 1
91 TYR -6.94 2.43 1
92 ILE -1.38 -0.15 1
93 SER 1.45 4.48 1
99 THR -0.04 3.35 1
100 GLU 2.45 0.45 1
101 GLU 2.47 -1.21 1
102 ASP 2.09 -1.22 1
103 ILE 4.96 -0.16 1
104 ASN 3.51 -0.24 1
105 LYS 3.61 -2.24 1
106 GLN 4.12 -0.74 1
107 ILE 2.60 1.48 1
108 ASN -1.46 4.79 1
109 ASP -1.34 0.87 1
110 LYS 4.64 -2.15 1
111 GLU 3.34 -2.87 1
112 ARG 3.68 -2.98 1
113 VAL 5.61 -0.03 1
114 ALA 3.85 -4.77 1
115 ALA 3.29 -5.37 1
116 ALA 3.34 -3.64 1
117 MET 2.08 -0.45 1
118 GLU -0.28 0.54 1
119 ASN -1.07 5.78 1
121 ASN 3.30 1.12 1
122 LEU 3.24 -2.66 1
123 ARG 4.63 -0.51 1
124 GLU 3.18 -2.09 1
125 ILE 3.75 -0.99 1
126 VAL 4.80 -1.08 1
127 GLU 3.30 -2.75 1
130 VAL 0.61 1.29 1
131 LEU 0.26 -1.48 1
132 GLU -0.21 3.39 1
134 ASP 0.86 0.63 1
135 GLN 0.29 1.36 1
136 LEU 0.51 -1.56 1
137 GLU -0.11 0.56 1
138 HIS -0.46 5.32 1
139 HIS 1.03 0.00 1
stop_
save_