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 bmr17021_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.33
_LACS_plot.Line_1_terminator_val_y_1 -2.29
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.72
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.39
_LACS_plot.Line_2_terminator_val_x_2 4.20
_LACS_plot.Line_2_terminator_val_y_2 2.75
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
105 SER -3.79 -4.29 0
135 ILE -3.63 -4.37 0
111 PHE 3.54 4.22 0
10 THR 0.13 0.12 1
11 TRP 0.08 0.02 1
12 ASN 0.00 0.04 1
13 ASP 0.21 0.27 1
14 SER 1.20 0.77 1
15 ARG 0.86 0.47 1
17 ASN -0.09 -0.23 1
18 TYR 0.39 0.21 1
19 TRP -0.17 -0.20 1
20 SER -0.10 0.04 1
21 ASP 0.55 0.27 1
22 TYR 0.26 0.09 1
23 GLU -0.31 -0.02 1
25 SER -0.23 -0.08 1
26 ASP 0.13 0.16 1
27 GLU 0.36 0.34 1
28 ASN -0.04 0.32 1
30 ASP 0.24 0.27 1
32 ILE 0.46 0.29 1
34 ASP 0.24 0.27 1
35 SER 0.64 0.45 1
36 ALA 0.52 0.33 1
37 TYR -0.20 -0.38 1
38 ALA -0.55 -0.25 1
39 VAL 0.19 -0.11 1
40 ASN -0.28 -0.22 1
42 GLU -0.00 -0.02 1
43 ALA 0.58 0.42 1
45 SER 0.07 0.16 1
46 MET 0.22 0.01 1
52 MET 0.32 0.11 1
53 GLU -0.04 0.22 1
54 TYR 0.14 -0.03 1
55 LEU 1.40 2.08 1
60 VAL 0.65 0.13 1
61 LEU -0.39 -0.85 1
63 THR -2.39 -1.00 1
64 ALA -1.70 -1.78 1
65 ARG -2.72 0.00 1
66 PHE -4.32 -0.98 1
67 THR -4.40 -2.38 1
68 SER -4.71 -1.75 1
69 ASP 4.14 2.21 1
70 ILE -5.34 -1.24 1
71 THR -1.17 -0.65 1
72 GLU -5.72 -2.39 1
74 PHE 0.76 0.40 1
75 ALA -0.41 -2.55 1
77 LEU -4.56 -1.45 1
78 SER 0.39 -0.28 1
79 VAL -3.90 -1.26 1
80 ARG 1.78 1.07 1
81 PHE -6.33 -4.80 1
82 LYS -1.86 0.74 1
83 ASP -0.10 1.09 1
84 PHE -0.19 -0.06 1
85 SER 4.21 3.00 1
86 GLU -5.18 -1.89 1
87 ASN 2.91 0.83 1
88 ALA -4.39 -1.62 1
89 THR 0.03 -0.38 1
90 SER -2.09 -0.40 1
91 ARG -5.39 -2.05 1
92 LEU -3.74 -0.34 1
93 TRP -3.03 -2.30 1
94 MET -2.14 -1.04 1
95 PHE 3.72 2.57 1
97 ASP -2.71 -2.07 1
99 ASN -1.81 0.29 1
100 THR -5.40 -1.86 1
101 SER -1.36 -0.31 1
102 ASP 0.49 0.75 1
109 THR -0.34 -0.88 1
110 PHE -0.43 -1.69 1
112 ASN -3.70 -1.44 1
113 GLU 0.45 -0.12 1
115 GLU -3.57 -1.91 1
116 TYR -3.18 -0.82 1
117 ILE 1.50 -0.41 1
118 VAL -0.85 -1.28 1
119 SER -4.35 -2.15 1
120 LEU -4.60 -2.44 1
121 ILE -2.13 -1.24 1
122 VAL -5.28 -4.17 1
123 SER -4.36 -1.46 1
124 ASN -1.26 -1.13 1
125 GLU 3.46 2.19 1
126 ASN -0.41 1.60 1
127 ASP -4.59 -0.37 1
128 SER -4.70 -1.43 1
129 ASP -5.19 -0.31 1
130 SER -5.55 -2.53 1
131 ALA -4.73 -1.25 1
132 SER -4.91 -1.05 1
133 VAL -4.26 -1.09 1
134 THR 0.46 0.19 1
136 ARG -2.03 -0.83 1
137 ALA -4.11 -3.25 1
138 LEU -2.26 -0.98 1
139 GLU -1.87 -0.64 1
140 HIS -0.16 1.34 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17021_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.33
_LACS_plot.Line_1_terminator_val_y_1 4.04
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.28
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.61
_LACS_plot.Line_2_terminator_val_x_2 4.20
_LACS_plot.Line_2_terminator_val_y_2 -1.45
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
105 SER -3.79 -0.50 0
135 ILE -3.63 -0.74 0
111 PHE 3.54 0.68 0
10 THR 0.13 -0.01 1
11 TRP 0.08 -0.06 1
12 ASN 0.00 0.04 1
13 ASP 0.21 0.06 1
14 SER 1.20 -0.43 1
15 ARG 0.86 -0.39 1
17 ASN -0.09 -0.14 1
18 TYR 0.39 -0.18 1
19 TRP -0.17 -0.03 1
20 SER -0.10 0.14 1
21 ASP 0.55 -0.28 1
22 TYR 0.26 -0.17 1
23 GLU -0.31 0.29 1
25 SER -0.23 0.15 1
26 ASP 0.13 0.03 1
27 GLU 0.36 -0.02 1
28 ASN -0.04 0.36 1
30 ASP 0.24 0.03 1
32 ILE 0.46 -0.17 1
34 ASP 0.24 0.03 1
35 SER 0.64 -0.19 1
36 ALA 0.52 -0.19 1
37 TYR -0.20 -0.18 1
38 ALA -0.55 0.30 1
39 VAL 0.19 -0.30 1
40 ASN -0.28 0.06 1
42 GLU -0.00 -0.02 1
43 ALA 0.58 -0.16 1
45 SER 0.07 0.09 1
46 MET 0.22 -0.21 1
52 MET 0.32 -0.21 1
53 GLU -0.04 0.26 1
54 TYR 0.14 -0.17 1
55 LEU 1.40 0.68 1
60 VAL 0.65 -0.52 1
61 LEU -0.39 -0.46 1
63 THR -2.39 1.39 1
64 ALA -1.70 -0.08 1
65 ARG -2.72 2.72 1
66 PHE -4.32 3.34 1
67 THR -4.40 2.02 1
68 SER -4.71 2.96 1
69 ASP 4.14 -1.93 1
70 ILE -5.34 4.10 1
71 THR -1.17 0.52 1
72 GLU -5.72 3.33 1
74 PHE 0.76 -0.36 1
75 ALA -0.41 -2.14 1
77 LEU -4.56 3.11 1
78 SER 0.39 -0.67 1
79 VAL -3.90 2.64 1
80 ARG 1.78 -0.71 1
81 PHE -6.33 1.53 1
82 LYS -1.86 2.60 1
83 ASP -0.10 1.19 1
84 PHE -0.19 0.13 1
85 SER 4.21 -1.21 1
86 GLU -5.18 3.29 1
87 ASN 2.91 -2.08 1
88 ALA -4.39 2.77 1
89 THR 0.03 -0.41 1
90 SER -2.09 1.69 1
91 ARG -5.39 3.34 1
92 LEU -3.74 3.40 1
93 TRP -3.03 0.73 1
94 MET -2.14 1.10 1
95 PHE 3.72 -1.15 1
97 ASP -2.71 0.64 1
99 ASN -1.81 2.10 1
100 THR -5.40 3.54 1
101 SER -1.36 1.05 1
102 ASP 0.49 0.26 1
109 THR -0.34 -0.54 1
110 PHE -0.43 -1.26 1
112 ASN -3.70 2.26 1
113 GLU 0.45 -0.57 1
115 GLU -3.57 1.66 1
116 TYR -3.18 2.36 1
117 ILE 1.50 -1.91 1
118 VAL -0.85 -0.43 1
119 SER -4.35 2.20 1
120 LEU -4.60 2.16 1
121 ILE -2.13 0.89 1
122 VAL -5.28 1.11 1
123 SER -4.36 2.90 1
124 ASN -1.26 0.13 1
125 GLU 3.46 -1.27 1
126 ASN -0.41 2.01 1
127 ASP -4.59 4.22 1
128 SER -4.70 3.27 1
129 ASP -5.19 4.88 1
130 SER -5.55 3.02 1
131 ALA -4.73 3.48 1
132 SER -4.91 3.86 1
133 VAL -4.26 3.17 1
134 THR 0.46 -0.27 1
136 ARG -2.03 1.20 1
137 ALA -4.11 0.86 1
138 LEU -2.26 1.28 1
139 GLU -1.87 1.23 1
140 HIS -0.16 1.50 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17021_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.33
_LACS_plot.Line_1_terminator_val_y_1 0.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.25
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.25
_LACS_plot.Line_2_terminator_val_x_2 4.20
_LACS_plot.Line_2_terminator_val_y_2 -0.54
_LACS_plot.Y_axis_chem_shift_offset 0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
132 SER -4.91 1.85 0
10 THR 0.13 -0.08 1
11 TRP 0.08 -0.07 1
12 ASN 0.00 -0.18 1
13 ASP 0.21 -0.15 1
14 SER 1.20 -0.13 1
15 ARG 0.86 -0.12 1
17 ASN -0.09 -0.20 1
18 TYR 0.39 -0.13 1
19 TRP -0.17 -0.07 1
20 SER -0.10 -0.18 1
21 ASP 0.55 -0.14 1
22 TYR 0.26 -0.10 1
23 GLU -0.31 -0.16 1
25 SER -0.23 -0.02 1
26 ASP 0.13 -0.03 1
27 GLU 0.36 -0.14 1
28 ASN -0.04 -0.02 1
30 ASP 0.24 -0.06 1
32 ILE 0.46 -0.03 1
34 ASP 0.24 -0.05 1
35 SER 0.64 -0.13 1
36 ALA 0.52 -0.12 1
37 TYR -0.20 -0.06 1
38 ALA -0.55 -0.04 1
39 VAL 0.19 -0.10 1
40 ASN -0.28 -0.10 1
42 GLU -0.00 -0.13 1
43 ALA 0.58 -0.12 1
45 SER 0.07 -0.04 1
46 MET 0.22 -0.09 1
52 MET 0.32 -0.10 1
53 GLU -0.04 -0.20 1
54 TYR 0.14 -0.05 1
55 LEU 1.40 -0.45 1
60 VAL 0.65 -0.13 1
61 LEU -0.39 0.03 1
63 THR -2.39 0.29 1
64 ALA -1.70 0.27 1
65 ARG -2.72 0.08 1
66 PHE -4.32 1.15 1
67 THR -4.40 0.57 1
68 SER -4.71 0.80 1
69 ASP 4.14 -0.37 1
70 ILE -5.34 0.34 1
71 THR -1.17 0.31 1
72 GLU -5.72 1.23 1
74 PHE 0.76 0.09 1
75 ALA -0.41 0.11 1
77 LEU -4.56 0.24 1
78 SER 0.39 0.59 1
79 VAL -3.90 -0.07 1
80 ARG 1.78 -0.19 1
81 PHE -6.33 0.34 1
82 LYS -1.86 0.44 1
83 ASP -0.10 0.31 1
84 PHE -0.19 0.27 1
85 SER 4.21 0.01 1
86 GLU -5.18 0.32 1
87 ASN 2.91 -0.58 1
88 ALA -4.39 0.20 1
89 THR 0.03 0.13 1
90 SER -2.09 0.21 1
91 ARG -5.39 0.82 1
92 LEU -3.74 0.12 1
93 TRP -3.03 -0.03 1
94 MET -2.14 0.07 1
95 PHE 3.72 -0.13 1
97 ASP -2.71 0.39 1
99 ASN -1.81 0.51 1
100 THR -5.40 0.94 1
101 SER -1.36 0.30 1
109 THR -0.34 0.24 1
110 PHE -0.43 -0.47 1
111 PHE 3.54 -0.77 1
112 ASN -3.70 0.29 1
113 GLU 0.45 -0.30 1
115 GLU -3.57 0.64 1
116 TYR -3.18 0.16 1
117 ILE 1.50 0.36 1
118 VAL -0.85 0.52 1
119 SER -4.35 1.07 1
120 LEU -4.60 -0.07 1
121 ILE -2.13 0.48 1
122 VAL -5.28 1.04 1
123 SER -4.36 0.93 1
124 ASN -1.26 0.29 1
125 GLU 3.46 -0.33 1
126 ASN -0.41 0.10 1
127 ASP -4.59 0.21 1
128 SER -4.70 1.01 1
129 ASP -5.19 0.37 1
130 SER -5.55 1.32 1
131 ALA -4.73 0.48 1
133 VAL -4.26 0.45 1
134 THR 0.46 0.84 1
135 ILE -3.63 0.71 1
136 ARG -2.03 0.61 1
137 ALA -4.11 0.86 1
138 LEU -2.26 0.24 1
139 GLU -1.87 0.12 1
140 HIS -0.16 -0.44 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17021_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.33
_LACS_plot.Line_1_terminator_val_y_1 -2.01
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.06
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.03
_LACS_plot.Line_2_terminator_val_x_2 4.20
_LACS_plot.Line_2_terminator_val_y_2 0.50
_LACS_plot.Y_axis_chem_shift_offset 0.53
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
81 PHE -6.33 0.91 0
87 ASN 2.91 -3.17 0
95 PHE 3.72 -3.10 0
10 THR 0.13 -0.34 1
11 TRP 0.08 -0.34 1
12 ASN 0.00 -0.60 1
13 ASP 0.21 0.28 1
14 SER 1.20 0.32 1
15 ARG 0.86 0.40 1
17 ASN -0.09 0.34 1
18 TYR 0.39 -0.61 1
19 TRP -0.17 -0.22 1
20 SER -0.10 -0.71 1
21 ASP 0.55 -0.54 1
22 TYR 0.26 -0.84 1
23 GLU -0.31 -0.13 1
25 SER -0.23 -0.36 1
26 ASP 0.13 0.17 1
27 GLU 0.36 -0.13 1
28 ASN -0.04 0.56 1
30 ASP 0.24 0.63 1
32 ILE 0.46 0.53 1
34 ASP 0.24 0.40 1
35 SER 0.64 -0.13 1
36 ALA 0.52 -0.40 1
37 TYR -0.20 -0.61 1
38 ALA -0.55 -0.78 1
39 VAL 0.19 -0.77 1
40 ASN -0.28 0.05 1
42 GLU -0.00 -0.02 1
43 ALA 0.58 0.42 1
45 SER 0.07 0.22 1
46 MET 0.22 -0.42 1
52 MET 0.32 -0.29 1
53 GLU -0.04 -0.49 1
54 TYR 0.14 -0.37 1
55 LEU 1.40 1.12 1
60 VAL 0.65 -0.77 1
61 LEU -0.39 -1.23 1
63 THR -2.39 -0.34 1
64 ALA -1.70 -0.62 1
65 ARG -2.72 -2.63 1
66 PHE -4.32 -2.27 1
67 THR -4.40 -1.28 1
68 SER -4.71 -0.71 1
69 ASP 4.14 -0.19 1
70 ILE -5.34 -1.22 1
71 THR -1.17 -1.39 1
72 GLU -5.72 -2.24 1
74 PHE 0.76 -0.51 1
75 ALA -0.41 -1.45 1
77 LEU -4.56 -2.53 1
78 SER 0.39 -2.12 1
79 VAL -3.90 -3.45 1
80 ARG 1.78 0.29 1
82 LYS -1.86 -1.96 1
83 ASP -0.10 0.30 1
84 PHE -0.19 -0.49 1
85 SER 4.21 -0.72 1
86 GLU -5.18 -1.07 1
88 ALA -4.39 -0.40 1
89 THR 0.03 2.70 1
90 SER -2.09 -2.47 1
91 ARG -5.39 -3.00 1
92 LEU -3.74 -3.48 1
93 TRP -3.03 0.23 1
94 MET -2.14 -0.66 1
97 ASP -2.71 0.40 1
99 ASN -1.81 0.33 1
100 THR -5.40 -0.58 1
101 SER -1.36 -1.77 1
105 SER -3.79 -2.82 1
109 THR -0.34 -3.14 1
110 PHE -0.43 -0.39 1
111 PHE 3.54 -1.09 1
112 ASN -3.70 0.35 1
113 GLU 0.45 -1.54 1
115 GLU -3.57 -1.42 1
116 TYR -3.18 -1.78 1
117 ILE 1.50 -1.46 1
118 VAL -0.85 -0.19 1
119 SER -4.35 -3.64 1
120 LEU -4.60 -3.01 1
121 ILE -2.13 0.42 1
122 VAL -5.28 -1.59 1
123 SER -4.36 -1.18 1
124 ASN -1.26 -0.24 1
125 GLU 3.46 -0.35 1
126 ASN -0.41 -0.84 1
127 ASP -4.59 -2.30 1
128 SER -4.70 -2.00 1
129 ASP -5.19 -2.88 1
130 SER -5.55 -2.35 1
131 ALA -4.73 -1.92 1
132 SER -4.91 -0.95 1
133 VAL -4.26 -3.82 1
134 THR 0.46 -1.05 1
135 ILE -3.63 -1.33 1
136 ARG -2.03 -3.58 1
137 ALA -4.11 -0.86 1
138 LEU -2.26 -0.78 1
139 GLU -1.87 -0.72 1
140 HIS -0.16 0.96 1
stop_
save_