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 bmr19264_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.69
_LACS_plot.Line_1_terminator_val_y_1 -4.12
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.37
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.30
_LACS_plot.Line_2_terminator_val_x_2 7.28
_LACS_plot.Line_2_terminator_val_y_2 4.91
_LACS_plot.Y_axis_chem_shift_offset 0.71
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
108 THR -6.69 -4.60 0
12 HIS -0.80 1.87 0
10 MET 0.93 -1.62 1
11 VAL -4.67 -2.97 1
13 GLN -4.15 -2.07 1
14 ALA 0.33 -0.76 1
15 ILE 1.69 0.50 1
16 SER -0.32 -0.56 1
18 ARG 4.80 2.83 1
19 THR 6.00 3.96 1
20 LEU 4.70 2.73 1
21 ASN 3.82 2.58 1
22 ALA 3.62 1.93 1
23 TRP 0.88 0.62 1
24 VAL 6.12 3.90 1
25 LYS 4.50 2.19 1
27 VAL 6.15 3.10 1
28 GLU 3.13 2.23 1
29 GLU 1.39 1.44 1
30 LYS 0.45 -1.22 1
31 ALA 2.65 0.14 1
32 PHE 2.93 -0.09 1
33 SER 0.77 0.18 1
35 GLU 2.73 1.73 1
36 VAL 4.63 2.44 1
37 ILE 4.16 2.37 1
39 MET 5.79 3.76 1
40 PHE 3.55 1.87 1
42 ALA -0.27 -1.27 1
44 SER 2.76 1.15 1
45 GLU 0.01 0.20 1
47 ALA 0.59 -0.30 1
48 THR 5.31 3.99 1
50 GLN 3.51 3.03 1
51 ASP 5.55 2.59 1
52 LEU 5.12 2.94 1
53 ASN 7.14 4.95 1
54 THR 5.33 4.52 1
55 MET 4.77 2.59 1
56 LEU 3.08 1.67 1
57 ASN 2.66 1.85 1
58 THR 2.74 0.36 1
59 VAL 1.04 0.38 1
62 HIS 6.25 4.32 1
63 GLN 4.13 1.86 1
64 ALA 3.52 1.82 1
65 ALA 4.03 0.81 1
66 MET 5.24 2.72 1
67 GLN 4.19 3.01 1
68 MET 5.11 3.42 1
69 LEU 5.47 3.17 1
70 LYS 4.01 2.50 1
71 GLU 6.75 5.11 1
72 THR 6.03 4.25 1
73 ILE 4.37 2.49 1
74 ASN 3.79 2.30 1
75 GLU 4.87 1.05 1
76 GLU 4.40 1.94 1
77 ALA 4.08 1.76 1
78 ALA 3.31 1.50 1
79 GLU 4.62 3.86 1
80 TRP 5.09 2.94 1
81 ASP 4.06 2.77 1
82 ARG 0.46 -0.37 1
83 LEU 1.88 -0.63 1
84 HIS 0.44 -0.50 1
86 VAL 0.23 0.42 1
87 HIS 0.05 -0.65 1
88 ALA -0.27 -1.39 1
91 ILE 0.59 -0.45 1
92 ALA -1.06 -1.53 1
95 GLN -1.69 -1.10 1
96 MET 0.65 -1.15 1
97 ARG -0.04 -0.37 1
98 GLU -1.94 -3.20 1
100 ARG 4.66 2.13 1
102 SER 2.72 2.24 1
103 ASP 7.28 4.21 1
104 ILE -0.88 -2.40 1
105 ALA 3.36 1.72 1
107 THR -0.24 -1.20 1
109 SER -3.61 -2.64 1
110 THR 4.18 1.76 1
111 LEU 5.97 3.40 1
112 GLN 3.38 1.76 1
113 GLU 6.34 3.88 1
114 GLN 5.58 4.06 1
115 ILE 6.86 4.12 1
117 TRP 2.81 3.87 1
118 MET -0.84 -1.13 1
119 THR 2.81 1.87 1
120 HIS -2.87 -2.47 1
121 ASN 1.50 0.03 1
124 ILE 6.23 3.17 1
126 VAL 2.67 1.20 1
128 GLU 5.45 3.70 1
129 ILE 0.24 -2.73 1
130 TYR 5.82 3.79 1
131 LYS 5.99 3.44 1
132 ARG 1.59 0.46 1
133 TRP 5.77 3.87 1
134 ILE 6.86 4.65 1
135 ILE 5.38 3.26 1
136 LEU 3.88 2.47 1
138 LEU 3.79 3.43 1
139 ASN 4.84 3.33 1
140 LYS 5.06 3.62 1
141 ILE 4.95 2.87 1
142 VAL 3.86 1.98 1
143 ARG 2.56 1.60 1
144 MET 1.24 0.49 1
145 TYR -0.08 -0.56 1
146 SER 0.62 -0.05 1
148 THR -1.19 -1.22 1
149 SER 1.81 0.31 1
150 ILE 2.80 0.96 1
151 LEU -0.64 -0.45 1
152 ASP 2.59 -1.46 1
153 ILE -3.01 -2.23 1
154 ARG 2.73 -0.30 1
155 GLN -0.77 -2.62 1
158 LYS -2.92 -1.16 1
159 GLU 5.98 4.83 1
161 PHE 5.24 3.31 1
162 ARG 4.17 2.47 1
163 ASP 2.59 1.12 1
164 TYR 6.07 3.69 1
165 VAL 3.69 3.01 1
166 ASP 4.65 3.50 1
167 ARG 5.24 4.04 1
168 PHE 7.24 4.90 1
169 TYR 4.95 3.27 1
170 LYS 6.11 4.18 1
171 THR 3.33 1.99 1
172 LEU 3.51 1.45 1
173 ARG 2.04 0.64 1
174 ALA 1.10 0.26 1
175 GLU 1.96 0.17 1
176 GLN 0.82 -0.01 1
177 ALA 0.00 -0.48 1
178 SER 1.57 0.78 1
179 GLN 1.25 0.41 1
183 ASN 1.84 0.75 1
184 ALA 2.08 0.49 1
185 ALA 4.21 3.01 1
186 THR 4.03 2.52 1
187 GLU 4.11 2.72 1
188 THR 3.26 1.92 1
189 LEU 3.70 1.92 1
190 LEU 5.37 3.43 1
191 VAL 4.10 2.69 1
192 GLN 0.45 -0.69 1
193 ASN 0.00 -1.20 1
194 ALA 3.55 -0.32 1
195 ASN 3.46 2.68 1
197 ASP 6.49 4.76 1
199 LYS 5.91 4.42 1
200 THR 4.43 2.87 1
201 ILE 3.40 1.99 1
202 LEU 4.50 2.10 1
203 LYS 2.04 0.43 1
204 ALA 1.79 0.79 1
205 LEU -0.05 -0.50 1
209 ALA -2.95 -1.83 1
210 THR 4.93 2.62 1
211 LEU 5.03 3.31 1
212 GLU 3.61 2.41 1
213 GLU 5.11 4.40 1
214 MET 4.63 3.54 1
215 MET 5.96 4.28 1
216 THR 3.00 1.93 1
217 ALA 3.88 2.16 1
219 GLN 2.92 0.70 1
221 VAL 0.98 0.86 1
226 HIS 0.75 -0.51 1
227 LYS 0.11 -0.59 1
228 ALA 0.68 -0.32 1
229 ARG 0.99 -0.25 1
230 VAL 1.26 1.25 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr19264_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.69
_LACS_plot.Line_1_terminator_val_y_1 2.57
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.63
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.30
_LACS_plot.Line_2_terminator_val_x_2 7.28
_LACS_plot.Line_2_terminator_val_y_2 -2.37
_LACS_plot.Y_axis_chem_shift_offset 0.71
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
108 THR -6.69 2.09 0
12 HIS -0.80 2.67 0
10 MET 0.93 -2.55 1
11 VAL -4.67 1.70 1
13 GLN -4.15 2.08 1
14 ALA 0.33 -1.09 1
15 ILE 1.69 -1.19 1
16 SER -0.32 -0.24 1
18 ARG 4.80 -1.97 1
19 THR 6.00 -2.04 1
20 LEU 4.70 -1.97 1
21 ASN 3.82 -1.24 1
22 ALA 3.62 -1.69 1
23 TRP 0.88 -0.26 1
24 VAL 6.12 -2.22 1
25 LYS 4.50 -2.31 1
27 VAL 6.15 -3.05 1
28 GLU 3.13 -0.90 1
29 GLU 1.39 0.05 1
30 LYS 0.45 -1.67 1
31 ALA 2.65 -2.51 1
32 PHE 2.93 -3.02 1
33 SER 0.77 -0.59 1
35 GLU 2.73 -1.00 1
36 VAL 4.63 -2.19 1
37 ILE 4.16 -1.79 1
39 MET 5.79 -2.03 1
40 PHE 3.55 -1.68 1
42 ALA -0.27 -1.00 1
44 SER 2.76 -1.61 1
45 GLU 0.01 0.19 1
47 ALA 0.59 -0.89 1
48 THR 5.31 -1.32 1
50 GLN 3.51 -0.48 1
51 ASP 5.55 -2.96 1
52 LEU 5.12 -2.18 1
53 ASN 7.14 -2.19 1
54 THR 5.33 -0.81 1
55 MET 4.77 -2.18 1
56 LEU 3.08 -1.41 1
57 ASN 2.66 -0.81 1
58 THR 2.74 -2.38 1
59 VAL 1.04 -0.66 1
62 HIS 6.25 -1.93 1
63 GLN 4.13 -2.27 1
64 ALA 3.52 -1.70 1
65 ALA 4.03 -3.22 1
66 MET 5.24 -2.52 1
67 GLN 4.19 -1.18 1
68 MET 5.11 -1.69 1
69 LEU 5.47 -2.30 1
70 LYS 4.01 -1.51 1
71 GLU 6.75 -1.64 1
72 THR 6.03 -1.78 1
73 ILE 4.37 -1.88 1
74 ASN 3.79 -1.49 1
75 GLU 4.87 -3.82 1
76 GLU 4.40 -2.46 1
77 ALA 4.08 -2.32 1
78 ALA 3.31 -1.81 1
79 GLU 4.62 -0.76 1
80 TRP 5.09 -2.15 1
81 ASP 4.06 -1.29 1
82 ARG 0.46 -0.83 1
83 LEU 1.88 -2.51 1
84 HIS 0.44 -0.94 1
86 VAL 0.23 0.19 1
87 HIS 0.05 -0.70 1
88 ALA -0.27 -1.12 1
91 ILE 0.59 -1.04 1
92 ALA -1.06 -0.47 1
95 GLN -1.69 0.59 1
96 MET 0.65 -1.80 1
97 ARG -0.04 -0.33 1
98 GLU -1.94 -1.26 1
100 ARG 4.66 -2.53 1
102 SER 2.72 -0.48 1
103 ASP 7.28 -3.07 1
104 ILE -0.88 -1.52 1
105 ALA 3.36 -1.64 1
107 THR -0.24 -0.96 1
109 SER -3.61 0.97 1
110 THR 4.18 -2.42 1
111 LEU 5.97 -2.57 1
112 GLN 3.38 -1.62 1
113 GLU 6.34 -2.46 1
114 GLN 5.58 -1.52 1
115 ILE 6.86 -2.74 1
117 TRP 2.81 1.06 1
118 MET -0.84 -0.29 1
119 THR 2.81 -0.94 1
120 HIS -2.87 0.40 1
121 ASN 1.50 -1.47 1
124 ILE 6.23 -3.06 1
126 VAL 2.67 -1.47 1
128 GLU 5.45 -1.75 1
129 ILE 0.24 -2.97 1
130 TYR 5.82 -2.03 1
131 LYS 5.99 -2.55 1
132 ARG 1.59 -1.13 1
133 TRP 5.77 -1.90 1
134 ILE 6.86 -2.21 1
135 ILE 5.38 -2.12 1
136 LEU 3.88 -1.41 1
138 LEU 3.79 -0.36 1
139 ASN 4.84 -1.51 1
140 LYS 5.06 -1.44 1
141 ILE 4.95 -2.08 1
142 VAL 3.86 -1.88 1
143 ARG 2.56 -0.96 1
144 MET 1.24 -0.75 1
145 TYR -0.08 -0.48 1
146 SER 0.62 -0.67 1
148 THR -1.19 -0.03 1
149 SER 1.81 -1.50 1
150 ILE 2.80 -1.84 1
151 LEU -0.64 0.19 1
152 ASP 2.59 -4.05 1
153 ILE -3.01 0.78 1
154 ARG 2.73 -3.03 1
155 GLN -0.77 -1.85 1
158 LYS -2.92 1.76 1
159 GLU 5.98 -1.15 1
161 PHE 5.24 -1.93 1
162 ARG 4.17 -1.70 1
163 ASP 2.59 -1.47 1
164 TYR 6.07 -2.38 1
165 VAL 3.69 -0.68 1
166 ASP 4.65 -1.15 1
167 ARG 5.24 -1.20 1
168 PHE 7.24 -2.34 1
169 TYR 4.95 -1.68 1
170 LYS 6.11 -1.93 1
171 THR 3.33 -1.34 1
172 LEU 3.51 -2.06 1
173 ARG 2.04 -1.40 1
174 ALA 1.10 -0.84 1
175 GLU 1.96 -1.79 1
176 GLN 0.82 -0.83 1
177 ALA 0.00 -0.48 1
178 SER 1.57 -0.79 1
179 GLN 1.25 -0.84 1
183 ASN 1.84 -1.09 1
184 ALA 2.08 -1.59 1
185 ALA 4.21 -1.20 1
186 THR 4.03 -1.51 1
187 GLU 4.11 -1.39 1
188 THR 3.26 -1.34 1
189 LEU 3.70 -1.78 1
190 LEU 5.37 -1.94 1
191 VAL 4.10 -1.41 1
192 GLN 0.45 -1.14 1
193 ASN 0.00 -1.20 1
194 ALA 3.55 -3.87 1
195 ASN 3.46 -0.78 1
197 ASP 6.49 -1.73 1
199 LYS 5.91 -1.49 1
200 THR 4.43 -1.56 1
201 ILE 3.40 -1.41 1
202 LEU 4.50 -2.40 1
203 LYS 2.04 -1.61 1
204 ALA 1.79 -1.00 1
205 LEU -0.05 -0.45 1
209 ALA -2.95 1.12 1
210 THR 4.93 -2.31 1
211 LEU 5.03 -1.72 1
212 GLU 3.61 -1.20 1
213 GLU 5.11 -0.71 1
214 MET 4.63 -1.09 1
215 MET 5.96 -1.68 1
216 THR 3.00 -1.07 1
217 ALA 3.88 -1.72 1
219 GLN 2.92 -2.22 1
221 VAL 0.98 -0.12 1
226 HIS 0.75 -1.26 1
227 LYS 0.11 -0.70 1
228 ALA 0.68 -1.00 1
229 ARG 0.99 -1.24 1
230 VAL 1.26 -0.01 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr19264_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.69
_LACS_plot.Line_1_terminator_val_y_1 -2.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.91
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.60
_LACS_plot.Line_2_terminator_val_x_2 7.28
_LACS_plot.Line_2_terminator_val_y_2 2.75
_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
103 ASP 7.28 -3.68 0
10 MET 0.93 -0.37 1
11 VAL -4.67 -2.09 1
13 GLN -4.15 -2.28 1
14 ALA 0.33 0.33 1
15 ILE 1.69 -1.75 1
16 SER -0.32 1.20 1
18 ARG 4.80 3.05 1
19 THR 6.00 1.12 1
20 LEU 4.70 0.99 1
21 ASN 3.82 2.33 1
23 TRP 0.88 -0.19 1
24 VAL 6.12 2.01 1
25 LYS 4.50 2.10 1
27 VAL 6.15 2.72 1
28 GLU 3.13 1.95 1
29 GLU 1.39 1.83 1
30 LYS 0.45 0.12 1
31 ALA 2.65 -3.79 1
32 PHE 2.93 -1.14 1
33 SER 0.77 0.23 1
35 GLU 2.73 0.74 1
36 VAL 4.63 0.51 1
37 ILE 4.16 1.03 1
39 MET 5.79 2.94 1
40 PHE 3.55 2.52 1
42 ALA -0.27 0.19 1
44 SER 2.76 1.63 1
45 GLU 0.01 0.66 1
47 ALA 0.59 1.42 1
48 THR 5.31 2.92 1
50 GLN 3.51 1.92 1
51 ASP 5.55 1.38 1
52 LEU 5.12 2.95 1
53 ASN 7.14 2.39 1
54 THR 5.33 3.18 1
55 MET 4.77 1.38 1
56 LEU 3.08 1.90 1
57 ASN 2.66 0.26 1
58 THR 2.74 -0.31 1
59 VAL 6.25 2.62 1
63 GLN 4.13 2.85 1
64 ALA 3.52 1.36 1
65 ALA 4.03 3.14 1
66 MET 5.24 2.37 1
67 GLN 4.19 3.37 1
68 MET 5.11 0.85 1
69 LEU 5.47 2.29 1
70 LYS 4.01 2.86 1
71 GLU 6.75 1.22 1
72 THR 6.03 0.44 1
73 ILE 4.37 3.44 1
74 ASN 3.79 2.95 1
75 GLU 4.87 2.82 1
76 GLU 4.40 1.09 1
77 ALA 4.08 3.57 1
78 ALA 3.31 1.84 1
79 GLU 4.62 3.52 1
80 TRP 5.09 2.26 1
81 ASP 4.06 1.92 1
82 ARG 0.46 -1.30 1
83 LEU 0.44 0.00 1
86 VAL 0.05 -0.32 1
88 ALA -0.27 -0.62 1
91 ILE 0.59 -0.85 1
92 ALA -1.06 -0.81 1
95 GLN -1.69 -0.23 1
96 MET 0.65 -1.42 1
97 ARG -0.04 -0.20 1
98 GLU -1.94 2.24 1
100 ARG 4.66 2.34 1
102 SER 2.72 3.49 1
104 ILE -0.88 -0.55 1
105 ALA 3.36 2.32 1
107 THR -0.24 -1.43 1
108 THR -6.69 -0.51 1
109 SER -3.61 1.18 1
110 THR 4.18 0.57 1
111 LEU 5.97 3.69 1
112 GLN 3.38 1.16 1
113 GLU 6.34 2.24 1
114 GLN 5.58 3.16 1
115 ILE 6.86 2.84 1
117 TRP 2.81 1.08 1
118 MET -0.84 -1.00 1
119 THR -2.87 -0.92 1
121 ASN 1.50 1.28 1
124 ILE 6.23 0.28 1
126 VAL 2.67 2.96 1
128 GLU 5.45 -0.24 1
129 ILE 0.24 2.35 1
130 TYR 5.82 1.12 1
131 LYS 5.99 2.87 1
132 ARG 1.59 2.31 1
133 TRP 5.77 1.81 1
134 ILE 6.86 2.06 1
135 ILE 5.38 3.07 1
136 LEU 3.88 1.25 1
138 LEU 3.79 2.54 1
139 ASN 4.84 2.34 1
140 LYS 5.06 1.84 1
141 ILE 4.95 2.54 1
142 VAL 3.86 1.61 1
143 ARG 2.56 0.74 1
144 MET 1.24 -0.08 1
145 TYR 0.62 -0.32 1
148 THR -1.19 1.45 1
149 SER 1.81 -0.56 1
150 ILE 2.80 0.12 1
151 LEU -0.64 -0.40 1
152 ASP 2.59 -2.55 1
153 ILE -3.01 -0.47 1
154 ARG 2.73 1.14 1
155 GLN -0.77 -0.95 1
158 LYS -2.92 -0.29 1
159 GLU 5.98 1.00 1
161 PHE 5.24 1.01 1
162 ARG 4.17 1.90 1
163 ASP 2.59 -0.07 1
164 TYR 6.07 1.51 1
165 VAL 3.69 2.51 1
166 ASP 4.65 2.66 1
167 ARG 5.24 1.37 1
168 PHE 7.24 3.03 1
169 TYR 4.95 2.86 1
170 LYS 6.11 1.06 1
171 THR 3.33 0.67 1
172 LEU 3.51 1.56 1
173 ARG 2.04 0.95 1
174 ALA 1.96 0.01 1
176 GLN 0.82 0.14 1
177 ALA 0.00 0.23 1
178 SER 1.25 0.33 1
183 ASN 1.84 0.60 1
184 ALA 2.08 1.21 1
185 ALA 4.21 0.82 1
186 THR 4.03 1.37 1
187 GLU 4.11 1.73 1
188 THR 3.26 -0.14 1
189 LEU 3.70 2.78 1
190 LEU 5.37 1.12 1
191 VAL 4.10 1.69 1
192 GLN 0.45 -0.32 1
193 ASN 0.00 -2.09 1
194 ALA 3.55 -0.62 1
195 ASN 3.46 2.81 1
197 ASP 6.49 1.52 1
199 LYS 5.91 1.72 1
200 THR 4.43 2.02 1
201 ILE 3.40 3.06 1
202 LEU 4.50 1.75 1
203 LYS 2.04 1.01 1
204 ALA 1.79 0.87 1
205 LEU -0.05 -0.06 1
209 ALA -2.95 1.18 1
210 THR 4.93 1.56 1
211 LEU 5.03 2.96 1
212 GLU 3.61 3.55 1
213 GLU 5.11 1.18 1
214 MET 4.63 3.43 1
215 MET 5.96 2.02 1
216 THR 3.00 1.80 1
217 ALA 3.88 0.51 1
219 GLN 2.92 0.74 1
221 VAL 0.75 -0.70 1
227 LYS 0.11 -0.42 1
228 ALA 0.68 -0.41 1
229 ARG 0.99 -1.28 1
230 VAL 1.26 4.47 1
stop_
save_