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 bmr19520_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -2.70
_LACS_plot.Line_1_terminator_val_y_1 -3.47
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.59
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.46
_LACS_plot.Line_2_terminator_val_x_2 9.69
_LACS_plot.Line_2_terminator_val_y_2 6.08
_LACS_plot.Y_axis_chem_shift_offset 1.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
118 THR 2.49 -3.88 0
10 GLU -0.19 -1.10 1
11 LEU 4.58 2.10 1
12 VAL 6.82 4.89 1
13 VAL 8.02 3.71 1
14 ASP 2.62 3.78 1
15 PHE 5.80 4.78 1
16 LEU 4.54 2.48 1
17 SER 6.80 3.85 1
18 TYR 3.84 1.38 1
19 LYS 4.33 -0.12 1
20 LEU 5.84 2.88 1
21 SER 4.04 2.08 1
22 GLN 4.15 1.88 1
23 LYS -1.21 -3.26 1
25 TYR -0.64 -0.14 1
26 SER -1.69 -2.22 1
27 TRP 1.29 0.90 1
28 SER 9.69 7.89 1
29 GLN 0.53 -0.53 1
30 PHE 0.22 -1.54 1
31 SER 0.07 -0.46 1
32 ASP 0.65 -0.75 1
33 VAL 0.96 -0.63 1
34 GLU -0.17 -1.08 1
35 GLU 0.55 -0.44 1
36 ASN 0.82 -0.40 1
37 ARG 0.87 -0.74 1
38 THR 0.56 -0.55 1
39 GLU -0.41 -1.26 1
40 ALA -0.63 -2.91 1
42 GLU 0.39 -0.28 1
44 THR 0.40 -0.63 1
45 GLU 1.64 0.31 1
46 SER 1.50 -0.06 1
47 GLU 3.02 0.28 1
48 MET 3.71 -0.20 1
49 GLU 0.17 -0.76 1
50 THR -1.65 -2.84 1
52 SER 0.71 -0.48 1
53 ALA 0.48 -0.84 1
54 ILE 1.89 0.39 1
55 ASN 0.67 -0.45 1
57 ASN 6.09 5.02 1
59 SER 1.59 -0.08 1
60 TRP 0.31 -1.02 1
61 HIS 0.35 1.38 1
62 LEU 0.80 -1.12 1
63 ALA 0.67 -1.05 1
64 ASP 0.33 -0.83 1
65 SER -1.46 -2.86 1
67 ALA 0.56 -0.97 1
68 VAL 0.43 -1.16 1
69 ASN 0.75 -0.37 1
71 ALA 0.83 -0.73 1
72 THR 0.32 -0.71 1
74 HIS 4.85 3.01 1
75 SER 3.85 2.21 1
76 SER 4.22 2.10 1
77 SER 1.50 -0.14 1
78 LEU 0.90 -0.62 1
79 ASP 0.33 -0.51 1
80 ALA 0.56 -0.76 1
81 ARG 3.91 4.40 1
82 GLU 0.15 -0.76 1
83 VAL 2.51 -1.00 1
84 ILE -1.68 -3.36 1
86 MET 4.19 0.18 1
87 ALA -1.12 -2.65 1
88 ALA 5.29 3.65 1
89 VAL 1.47 -0.36 1
90 LYS 4.07 -0.12 1
91 GLN 4.39 2.22 1
92 ALA 4.07 1.74 1
93 LEU 4.53 2.69 1
94 ARG 6.55 3.74 1
95 GLU 3.43 1.62 1
96 ALA 3.20 1.80 1
98 ASP 5.44 2.82 1
99 GLU -1.44 -2.85 1
100 PHE -0.98 -0.24 1
101 GLU 2.31 1.00 1
102 LEU 3.12 1.49 1
103 ARG 2.74 2.99 1
104 TYR 5.11 2.94 1
105 ARG 5.03 1.92 1
106 ARG 4.26 0.91 1
107 ALA 4.18 2.14 1
108 PHE -0.90 -0.66 1
109 SER -2.70 -3.26 1
110 ASP 5.04 1.78 1
111 LEU 3.60 2.00 1
112 THR 5.28 2.89 1
113 SER 3.03 1.44 1
114 GLN 2.15 0.76 1
115 LEU -0.45 -0.30 1
116 HIS 2.13 1.38 1
117 ILE 1.20 -0.38 1
121 THR 6.05 0.24 1
122 ALA 0.70 0.12 1
123 TYR 4.47 2.15 1
124 GLN 5.82 2.94 1
125 SER 5.50 3.06 1
126 PHE 5.32 3.42 1
127 GLU 2.47 1.46 1
128 GLN 4.78 2.38 1
129 VAL 5.54 2.89 1
130 VAL 6.64 3.21 1
131 ASN 4.17 1.54 1
132 GLU 3.91 1.38 1
133 LEU 4.32 1.70 1
134 PHE 0.58 -1.16 1
135 ARG 5.83 2.94 1
136 ASP 0.64 -0.86 1
138 VAL 1.78 -0.31 1
139 ASN -1.82 -2.08 1
140 TRP 2.62 2.63 1
142 ARG 2.79 1.50 1
143 ILE 7.99 4.79 1
144 VAL 7.70 4.89 1
145 ALA 3.68 1.56 1
146 PHE 5.21 3.47 1
147 PHE 1.58 1.42 1
148 SER 6.73 4.82 1
149 PHE 3.96 1.64 1
152 ALA 3.68 1.64 1
153 LEU 3.23 1.49 1
155 VAL 6.10 3.93 1
156 GLU 7.13 4.68 1
157 SER 7.02 4.07 1
158 VAL 6.82 3.53 1
159 ASP 3.60 2.42 1
160 LYS 1.51 -1.10 1
161 GLU 5.03 0.18 1
162 MET -0.34 -2.75 1
163 GLN 6.79 3.48 1
164 VAL 3.46 0.65 1
165 LEU 3.30 0.58 1
166 VAL 8.18 4.65 1
167 SER 4.07 1.92 1
168 ARG 7.51 4.62 1
169 ILE 4.87 3.03 1
170 ALA 3.68 1.40 1
171 ALA 4.24 1.64 1
172 TRP 1.83 -0.48 1
173 MET 8.91 4.84 1
174 ALA 4.77 2.36 1
175 THR 6.16 4.41 1
176 TYR 5.41 4.47 1
177 LEU 4.48 3.36 1
178 ASN 3.54 2.74 1
179 ASP 3.52 1.70 1
180 HIS -0.19 0.42 1
181 LEU 0.56 -0.08 1
182 GLU 8.35 4.41 1
184 TRP 8.70 8.17 1
185 ILE 7.02 4.17 1
186 GLN 4.71 2.12 1
187 GLU 1.91 0.42 1
188 ASN 1.94 -0.24 1
191 TRP 2.87 1.92 1
192 ASP 4.48 2.66 1
193 THR 6.32 3.85 1
194 PHE 6.03 3.31 1
195 VAL 5.96 3.55 1
196 GLU 2.95 1.72 1
197 LEU 0.80 0.80 1
198 TYR 1.76 0.48 1
200 ASN 1.14 -0.32 1
201 ASN 4.02 2.56 1
202 ALA 1.44 -0.12 1
203 ALA 1.52 -0.28 1
204 ALA 1.68 -0.12 1
205 GLU 1.59 0.10 1
206 SER 1.51 0.08 1
207 ARG 2.07 -0.26 1
208 LYS 1.99 0.02 1
210 GLN 0.79 -0.60 1
211 GLU 0.69 -0.30 1
212 ARG 1.75 -0.10 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr19520_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -2.70
_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 -1.41
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.46
_LACS_plot.Line_2_terminator_val_x_2 9.69
_LACS_plot.Line_2_terminator_val_y_2 -3.61
_LACS_plot.Y_axis_chem_shift_offset 1.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
118 THR 2.49 -6.37 0
10 GLU -0.19 -0.91 1
11 LEU 4.58 -2.48 1
12 VAL 6.82 -1.93 1
13 VAL 8.02 -4.31 1
14 ASP 2.62 1.16 1
15 PHE 5.80 -1.02 1
16 LEU 4.54 -2.06 1
17 SER 6.80 -2.95 1
18 TYR 3.84 -2.46 1
19 LYS 4.33 -4.45 1
20 LEU 5.84 -2.96 1
21 SER 4.04 -1.96 1
22 GLN 4.15 -2.27 1
23 LYS -1.21 -2.05 1
25 TYR -0.64 0.50 1
26 SER -1.69 -0.53 1
27 TRP 1.29 -0.39 1
28 SER 9.69 -1.80 1
29 GLN 0.53 -1.06 1
30 PHE 0.22 -1.76 1
31 SER 0.07 -0.53 1
32 ASP 0.65 -1.40 1
33 VAL 0.96 -1.59 1
34 GLU -0.17 -0.91 1
35 GLU 0.55 -0.99 1
36 ASN 0.82 -1.22 1
37 ARG 0.87 -1.61 1
38 THR 0.56 -1.11 1
39 GLU -0.41 -0.85 1
40 ALA -0.63 -2.28 1
42 GLU 0.39 -0.67 1
44 THR 0.40 -1.03 1
45 GLU 1.64 -1.33 1
46 SER 1.50 -1.56 1
47 GLU 3.02 -2.74 1
48 MET 3.71 -3.91 1
49 GLU 0.17 -0.93 1
50 THR -1.65 -1.19 1
52 SER 0.71 -1.19 1
53 ALA 0.48 -1.32 1
54 ILE 1.89 -1.50 1
55 ASN 0.67 -1.12 1
57 ASN 6.09 -1.07 1
59 SER 1.59 -1.67 1
60 TRP 0.31 -1.33 1
61 HIS 0.35 1.03 1
62 LEU 0.80 -1.92 1
63 ALA 0.67 -1.72 1
64 ASP 0.33 -1.16 1
65 SER -1.46 -1.40 1
67 ALA 0.56 -1.53 1
68 VAL 0.43 -1.59 1
69 ASN 0.75 -1.12 1
71 ALA 0.83 -1.56 1
72 THR 0.32 -1.03 1
74 HIS 4.85 -1.84 1
75 SER 3.85 -1.64 1
76 SER 4.22 -2.12 1
77 SER 1.50 -1.64 1
78 LEU 0.90 -1.52 1
79 ASP 0.33 -0.84 1
80 ALA 0.56 -1.32 1
81 ARG 3.91 0.49 1
82 GLU 0.15 -0.91 1
83 VAL 2.51 -3.51 1
84 ILE -1.68 -1.68 1
86 MET 4.19 -4.01 1
87 ALA -1.12 -1.53 1
88 ALA 5.29 -1.64 1
89 VAL 1.47 -1.83 1
90 LYS 4.07 -4.19 1
91 GLN 4.39 -2.17 1
92 ALA 4.07 -2.33 1
93 LEU 4.53 -1.84 1
94 ARG 6.55 -2.81 1
95 GLU 3.43 -1.81 1
96 ALA 3.20 -1.40 1
98 ASP 5.44 -2.62 1
99 GLU -1.44 -1.41 1
100 PHE -0.98 0.74 1
101 GLU 2.31 -1.31 1
102 LEU 3.12 -1.63 1
103 ARG 2.74 0.25 1
104 TYR 5.11 -2.17 1
105 ARG 5.03 -3.11 1
106 ARG 4.26 -3.35 1
107 ALA 4.18 -2.04 1
108 PHE -0.90 0.24 1
109 SER -2.70 -0.56 1
110 ASP 5.04 -3.26 1
111 LEU 3.60 -1.60 1
112 THR 5.28 -2.39 1
113 SER 3.03 -1.59 1
114 GLN 2.15 -1.39 1
115 LEU -0.45 0.15 1
116 HIS 2.13 -0.75 1
117 ILE 1.20 -1.58 1
121 THR 6.05 -5.81 1
122 ALA 0.70 -0.58 1
123 TYR 4.47 -2.32 1
124 GLN 5.82 -2.88 1
125 SER 5.50 -2.44 1
126 PHE 5.32 -1.90 1
127 GLU 2.47 -1.01 1
128 GLN 4.78 -2.40 1
129 VAL 5.54 -2.65 1
130 VAL 6.64 -3.43 1
131 ASN 4.17 -2.63 1
132 GLU 3.91 -2.53 1
133 LEU 4.32 -2.62 1
134 PHE 0.58 -1.74 1
135 ARG 5.83 -2.89 1
136 ASP 0.64 -1.50 1
138 VAL 1.78 -2.09 1
139 ASN -1.82 -0.26 1
140 TRP 2.62 0.01 1
142 ARG 2.79 -1.29 1
143 ILE 7.99 -3.20 1
144 VAL 7.70 -2.81 1
145 ALA 3.68 -2.12 1
146 PHE 5.21 -1.74 1
147 PHE 1.58 -0.16 1
148 SER 6.73 -1.91 1
149 PHE 3.96 -2.32 1
152 ALA 3.68 -2.04 1
153 LEU 3.23 -1.74 1
155 VAL 6.10 -2.17 1
156 GLU 7.13 -2.45 1
157 SER 7.02 -2.95 1
158 VAL 6.82 -3.29 1
159 ASP 3.60 -1.18 1
160 LYS 1.51 -2.61 1
161 GLU 5.03 -4.85 1
162 MET -0.34 -2.41 1
163 GLN 6.79 -3.31 1
164 VAL 3.46 -2.81 1
165 LEU 3.30 -2.72 1
166 VAL 8.18 -3.53 1
167 SER 4.07 -2.15 1
168 ARG 7.51 -2.89 1
169 ILE 4.87 -1.84 1
170 ALA 3.68 -2.28 1
171 ALA 4.24 -2.60 1
172 TRP 1.83 -2.31 1
173 MET 8.91 -4.07 1
174 ALA 4.77 -2.41 1
175 THR 6.16 -1.75 1
176 TYR 5.41 -0.94 1
177 LEU 4.48 -1.12 1
178 ASN 3.54 -0.80 1
179 ASP 3.52 -1.82 1
180 HIS -0.19 0.61 1
181 LEU 0.56 -0.64 1
182 GLU 8.35 -3.94 1
184 TRP 8.70 -0.53 1
185 ILE 7.02 -2.85 1
186 GLN 4.71 -2.59 1
187 GLU 1.91 -1.49 1
188 ASN 1.94 -2.18 1
191 TRP 2.87 -0.95 1
192 ASP 4.48 -1.82 1
193 THR 6.32 -2.47 1
194 PHE 6.03 -2.72 1
195 VAL 5.96 -2.41 1
196 GLU 2.95 -1.23 1
197 LEU 0.80 0.00 1
198 TYR 1.76 -1.28 1
200 ASN 1.14 -1.46 1
201 ASN 4.02 -1.46 1
202 ALA 1.44 -1.56 1
203 ALA 1.52 -1.80 1
204 ALA 1.68 -1.80 1
205 GLU 1.59 -1.49 1
206 SER 1.51 -1.43 1
207 ARG 2.07 -2.33 1
208 LYS 1.99 -1.97 1
210 GLN 0.79 -1.39 1
211 GLU 0.69 -0.99 1
212 ARG 1.75 -1.85 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr19520_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -2.70
_LACS_plot.Line_1_terminator_val_y_1 -1.31
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.41
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.63
_LACS_plot.Line_2_terminator_val_x_2 9.69
_LACS_plot.Line_2_terminator_val_y_2 2.29
_LACS_plot.Y_axis_chem_shift_offset 0.23
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 SER 9.69 -1.74 0
10 GLU -0.19 2.87 1
11 LEU 4.58 0.50 1
12 VAL 6.82 0.08 1
13 VAL 8.02 2.12 1
14 ASP 2.62 0.74 1
15 PHE 5.80 2.08 1
16 LEU 4.54 -1.98 1
17 SER 6.80 2.38 1
18 TYR 3.84 2.10 1
19 LYS 4.33 3.24 1
20 LEU 5.84 2.05 1
21 SER 4.04 3.60 1
22 GLN 4.15 1.00 1
23 LYS -1.21 -1.18 1
25 TYR -0.64 -1.12 1
26 SER -1.69 -0.74 1
27 TRP 1.29 -1.96 1
29 GLN 0.53 1.25 1
30 PHE 0.22 1.01 1
31 SER 0.07 -1.11 1
32 ASP 0.65 -0.36 1
33 VAL 0.96 -0.30 1
34 GLU -0.17 -0.26 1
35 GLU 0.55 -0.76 1
36 ASN 0.82 -0.48 1
37 ARG 0.87 -0.14 1
38 THR 0.56 -0.58 1
39 GLU -0.41 -1.24 1
42 GLU 0.39 0.26 1
44 THR 0.40 -0.10 1
45 GLU 1.64 0.52 1
46 SER 1.50 1.50 1
47 GLU 3.02 0.72 1
48 MET 3.71 -0.02 1
49 GLU 0.17 -0.62 1
52 SER 0.71 -0.40 1
53 ALA 0.48 -0.12 1
54 ILE 1.89 -2.12 1
55 ASN 0.67 -0.04 1
59 SER 1.59 -0.42 1
60 TRP 0.31 1.46 1
61 HIS 0.35 3.46 1
62 LEU 0.80 -0.88 1
63 ALA 0.67 2.15 1
64 ASP 0.33 -0.70 1
67 ALA 0.56 -1.89 1
69 ASN 0.75 0.20 1
71 ALA 0.83 -2.34 1
72 THR 0.32 0.30 1
74 HIS 4.85 3.31 1
75 SER 3.85 1.23 1
76 SER 4.22 1.76 1
77 SER 1.50 -0.18 1
78 LEU 0.90 -0.64 1
79 ASP 0.33 -0.60 1
80 ALA 0.56 -3.56 1
81 ARG 3.91 -0.34 1
82 GLU 0.15 -0.74 1
83 VAL 2.51 0.04 1
86 MET 4.19 -1.42 1
87 ALA -1.12 -1.86 1
88 ALA 5.29 -0.28 1
89 VAL 1.47 0.56 1
90 LYS 4.07 -1.04 1
91 GLN 4.39 0.95 1
92 ALA 4.07 1.74 1
93 LEU 4.53 1.47 1
94 ARG 6.55 2.10 1
95 GLU 3.43 3.19 1
96 ALA 3.20 3.51 1
98 ASP 5.44 2.42 1
99 GLU -1.44 2.91 1
100 PHE -0.98 2.82 1
101 GLU 2.31 0.74 1
103 ARG 2.74 1.30 1
104 TYR 5.11 -0.94 1
105 ARG 5.03 2.10 1
106 ARG 4.26 0.96 1
107 ALA 4.18 -2.10 1
108 PHE -0.90 -0.82 1
109 SER -2.70 0.82 1
110 ASP 5.04 1.90 1
111 LEU 3.60 1.20 1
112 THR 5.28 2.46 1
113 SER 3.03 0.72 1
114 GLN 2.15 -0.02 1
115 LEU -0.45 -1.40 1
116 HIS 2.13 0.02 1
117 ILE 1.20 -0.02 1
121 THR 6.05 3.40 1
122 ALA 0.70 -0.40 1
123 TYR 4.47 0.16 1
124 GLN 5.82 2.10 1
125 SER 5.50 4.96 1
126 PHE 5.32 -0.92 1
127 GLU 2.47 0.26 1
128 GLN 4.78 2.36 1
129 VAL 5.54 1.46 1
130 VAL 6.64 1.41 1
131 ASN 4.17 3.58 1
132 GLU 3.91 2.50 1
133 LEU 4.32 0.42 1
134 PHE 0.58 0.46 1
135 ARG 5.83 0.66 1
136 ASP 0.64 -0.96 1
138 VAL 1.78 -2.14 1
139 ASN -1.82 -0.24 1
140 TRP 2.62 1.88 1
142 ARG 2.79 1.16 1
143 ILE 7.99 1.36 1
144 VAL 7.70 1.26 1
145 ALA 3.68 0.20 1
146 PHE 5.21 3.63 1
147 PHE 1.58 1.60 1
148 SER 6.73 2.76 1
149 PHE 3.96 0.54 1
152 ALA 3.68 -0.16 1
153 LEU 3.23 2.34 1
155 VAL 6.10 -0.58 1
156 GLU 7.13 1.44 1
157 SER 7.02 0.70 1
158 VAL 6.82 -2.32 1
159 ASP 3.60 1.40 1
160 LYS 1.51 -1.76 1
161 GLU 5.03 -0.82 1
162 MET -0.34 0.30 1
163 GLN 6.79 1.40 1
164 VAL 3.46 -0.84 1
165 LEU 3.30 0.11 1
166 VAL 8.18 0.52 1
167 SER 4.07 2.14 1
168 ARG 7.51 -0.86 1
169 ILE 4.87 1.38 1
170 ALA 3.68 1.39 1
171 ALA 4.24 3.03 1
172 TRP 1.83 3.25 1
173 MET 8.91 -0.14 1
174 ALA 4.77 1.08 1
175 THR 6.16 0.08 1
176 TYR 5.41 3.35 1
177 LEU 4.48 0.38 1
178 ASN 3.54 0.82 1
179 ASP 3.52 1.26 1
180 HIS -0.19 1.38 1
181 LEU 0.56 -1.44 1
184 TRP 8.70 3.12 1
185 ILE 7.02 2.26 1
186 GLN 4.71 3.03 1
187 GLU 1.91 -0.14 1
188 ASN 1.94 -1.58 1
191 TRP 2.87 2.04 1
192 ASP 4.48 2.76 1
193 THR 6.32 0.28 1
194 PHE 6.03 0.62 1
195 VAL 5.96 1.78 1
196 GLU 2.95 1.38 1
197 LEU 0.80 0.78 1
198 TYR 1.76 0.68 1
200 ASN 1.14 -0.12 1
201 ASN 4.02 0.04 1
202 ALA 1.44 0.26 1
203 ALA 1.52 0.26 1
204 ALA 1.68 0.72 1
205 GLU 1.59 0.54 1
206 SER 1.51 0.12 1
207 ARG 2.07 -0.32 1
208 LYS 1.99 0.56 1
210 GLN 0.79 0.88 1
211 GLU 0.69 -0.86 1
stop_
save_