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 bmr16715_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.26
_LACS_plot.Line_1_terminator_val_y_1 -3.48
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.55
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.98
_LACS_plot.Line_2_terminator_val_x_2 7.57
_LACS_plot.Line_2_terminator_val_y_2 5.44
_LACS_plot.Y_axis_chem_shift_offset 0.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
175 HIS 1.92 6.41 0
11 ARG 0.48 -0.22 1
12 GLN 0.76 0.33 1
13 SER -1.62 -0.11 1
15 ALA 0.10 -0.02 1
16 LYS 0.50 -0.05 1
18 HIS -2.47 1.17 1
19 LEU 0.65 -0.02 1
20 ALA 0.49 0.18 1
21 GLU -0.43 -0.48 1
22 GLN 0.57 0.48 1
23 PHE -1.78 -2.89 1
24 ALA -2.54 -1.98 1
25 VAL 4.44 2.21 1
27 GLU 1.31 0.85 1
28 ILE -1.14 -2.76 1
29 ILE -1.73 -2.43 1
30 THR -0.38 -0.16 1
31 ASP -2.50 -0.96 1
32 MET 3.51 2.24 1
33 ALA -0.14 -0.86 1
34 LYS 6.07 1.11 1
35 LYS 1.76 -0.09 1
36 GLU -4.03 -2.24 1
37 TRP -3.10 -2.47 1
38 LYS -3.22 -2.04 1
39 VAL 1.95 0.98 1
41 LEU 1.21 0.52 1
43 ILE -2.31 -1.20 1
45 GLN -1.35 -0.57 1
48 PHE 0.13 0.04 1
51 ILE -2.13 -1.01 1
52 TYR -4.98 -2.69 1
53 LEU 0.90 0.88 1
54 ALA -4.16 -1.38 1
55 ASP -6.05 -2.51 1
56 MET 2.01 1.10 1
57 ASN 1.95 1.04 1
58 SER -1.69 -1.01 1
59 SER 1.82 1.39 1
60 GLU -1.41 -1.06 1
61 SER 0.10 -0.07 1
62 VAL 2.80 0.97 1
64 SER 2.42 1.61 1
65 ASP -0.28 -1.21 1
66 ALA -0.33 0.28 1
69 VAL -5.72 -4.00 1
70 VAL -5.67 -4.72 1
71 LYS -2.25 -1.34 1
72 VAL -3.83 -1.95 1
73 GLU -4.13 -0.60 1
75 SER 1.22 1.08 1
76 ASP 0.67 -0.20 1
77 ASN 0.20 0.39 1
80 LEU 4.66 2.56 1
81 PHE 3.88 2.96 1
82 THR 6.20 4.54 1
83 GLU 3.78 3.90 1
84 LEU 4.04 2.90 1
85 LYS 4.64 2.93 1
86 PHE 4.92 2.71 1
87 TYR 6.36 4.92 1
88 GLN 3.11 2.07 1
89 ARG 1.68 1.53 1
90 ALA -2.21 -0.42 1
91 ALA -3.07 -1.92 1
92 LYS 4.47 1.69 1
94 GLU 4.33 2.55 1
95 GLN 2.72 2.59 1
96 ILE 4.33 3.73 1
97 GLN 4.28 2.94 1
98 LYS 4.38 3.20 1
99 TRP 3.63 3.23 1
100 ILE 5.83 4.98 1
101 ARG 4.02 2.83 1
102 THR 4.71 3.86 1
103 ARG 1.27 -1.30 1
104 LYS 5.60 0.56 1
105 LEU -2.57 -1.77 1
106 LYS 3.07 1.72 1
107 TYR -2.88 -2.74 1
108 LEU -3.95 -1.67 1
110 VAL -2.85 -1.34 1
112 LYS 0.79 0.20 1
113 TYR -5.58 -2.78 1
114 TRP -0.79 0.03 1
116 SER -2.89 -0.73 1
118 LEU -4.79 -1.80 1
119 HIS -5.27 0.96 1
120 ASP -2.06 -1.09 1
121 LYS -1.80 -1.10 1
122 ASN 2.30 0.94 1
124 LYS -2.98 -1.81 1
125 SER -1.40 -0.91 1
126 TYR -1.90 -0.37 1
127 ARG -2.33 -1.59 1
128 PHE -6.35 -3.02 1
129 MET -5.99 -0.78 1
130 ILE 0.35 -2.42 1
131 MET -6.07 -1.68 1
132 ASP 0.05 1.91 1
133 ARG -1.30 -1.10 1
134 PHE -3.64 0.18 1
136 SER 0.20 0.85 1
137 ASP -3.60 -1.05 1
138 LEU 2.51 1.04 1
139 GLN 6.45 2.28 1
140 LYS 3.93 2.92 1
141 ILE 3.84 3.17 1
142 TYR 3.44 2.52 1
143 GLU 4.47 2.96 1
144 ALA 3.31 1.76 1
145 ASN -0.41 -0.27 1
146 ALA 4.06 0.62 1
147 LYS 5.85 0.01 1
148 ARG -4.22 -1.11 1
149 PHE -7.26 -4.10 1
150 SER -1.64 -0.77 1
151 ARG 4.50 4.07 1
152 LYS 4.61 3.36 1
153 THR 6.38 4.94 1
154 VAL 7.58 6.07 1
155 LEU 5.47 3.14 1
156 GLN 3.96 3.38 1
157 LEU 2.17 2.46 1
160 ARG 2.16 1.92 1
161 ILE 6.19 4.00 1
162 LEU 5.02 3.56 1
163 ASP 5.25 4.04 1
165 LEU 2.65 0.97 1
166 GLU 4.19 3.22 1
167 TYR 5.82 4.97 1
171 HIS 4.01 2.33 1
172 GLU 5.52 2.28 1
173 TYR -5.18 0.30 1
174 VAL -3.33 -3.22 1
177 ASP 0.23 -0.88 1
178 ILE 3.52 3.24 1
179 LYS -1.00 -1.31 1
180 ALA 7.02 3.39 1
181 SER 4.07 2.71 1
182 ASN -1.13 -1.13 1
183 LEU -2.59 -2.62 1
184 LEU -4.07 -3.11 1
185 LEU -1.09 -1.93 1
186 ASN 0.25 1.17 1
187 TYR 3.30 2.51 1
188 LYS -0.49 -0.89 1
189 ASN -1.25 -1.08 1
191 ASP 0.04 0.52 1
192 GLN -0.61 -0.52 1
193 VAL -4.36 -3.37 1
194 TYR -4.42 -1.87 1
195 LEU -3.58 -1.70 1
196 VAL -3.73 -2.82 1
197 ASP 3.78 0.86 1
198 TYR 0.33 -0.83 1
200 LEU -0.55 -1.93 1
201 ALA 0.89 0.54 1
202 TYR -4.14 -0.86 1
203 ARG 1.21 -2.34 1
204 TYR 0.75 0.23 1
207 GLU 3.41 -0.14 1
209 VAL 0.77 -0.97 1
211 LYS 1.33 0.18 1
212 GLU -0.81 -0.79 1
213 TYR 3.78 2.36 1
214 LYS -1.47 -0.34 1
215 GLU 0.15 -1.02 1
216 ASP -3.17 -2.06 1
218 LYS 1.92 0.42 1
219 ARG -0.51 -1.44 1
221 HIS 2.67 1.71 1
222 ASP 1.03 0.90 1
224 THR 3.48 1.08 1
225 ILE 4.01 2.64 1
226 GLU 6.17 3.36 1
227 PHE -3.55 -2.01 1
228 THR 2.21 0.99 1
229 SER -2.15 -0.35 1
230 ILE 7.32 6.09 1
231 ASP 5.05 3.69 1
232 ALA 4.37 2.77 1
233 HIS 5.28 5.22 1
234 ASN 0.06 -0.10 1
236 VAL -1.41 -2.56 1
237 ALA 1.92 -0.14 1
240 ARG 5.30 4.47 1
241 ARG 4.81 2.55 1
243 ASP 2.97 2.90 1
244 LEU 2.96 1.07 1
245 GLU 2.07 2.71 1
246 ILE 3.94 3.41 1
247 LEU 4.01 2.37 1
249 TYR 2.66 0.70 1
251 MET 4.64 5.17 1
252 ILE 5.48 4.90 1
253 GLN 4.17 2.90 1
254 TRP -1.22 -0.10 1
255 LEU -0.18 1.48 1
256 THR -2.03 0.49 1
258 HIS -4.09 0.15 1
259 LEU -2.99 -1.54 1
261 TRP 1.32 -1.93 1
262 GLU 1.94 0.30 1
263 ASP 1.98 0.17 1
264 ASN 0.70 -1.01 1
265 LEU 2.95 0.68 1
266 LYS 1.77 -0.11 1
267 ASP -3.11 -2.49 1
269 LYS 4.88 3.08 1
270 TYR 3.98 2.11 1
271 VAL 7.35 4.88 1
272 ARG 4.88 3.19 1
273 ASP 4.68 2.75 1
274 SER 4.12 3.29 1
275 LYS 5.46 4.12 1
276 ILE 6.02 4.88 1
277 ARG 4.77 3.14 1
278 TYR 4.52 3.26 1
279 ARG 3.35 2.12 1
280 GLU 1.81 1.06 1
281 ASN -1.05 -1.85 1
282 ILE 4.48 2.07 1
283 ALA 5.01 3.12 1
284 SER 3.41 2.83 1
285 LEU 5.62 3.04 1
286 MET 4.20 0.61 1
287 ASP 2.86 2.48 1
288 LYS 1.65 0.55 1
290 PHE -0.30 -0.78 1
292 GLU 0.76 -0.06 1
293 LYS 2.76 1.57 1
294 ASN 0.49 -0.92 1
295 LYS 0.17 -0.06 1
298 GLU 4.58 1.73 1
299 ILE 4.45 0.54 1
300 ALA 4.85 3.02 1
301 LYS 3.82 2.57 1
302 TYR 5.45 4.86 1
303 MET 3.91 2.66 1
304 GLU 2.80 2.22 1
305 THR 7.00 4.91 1
306 VAL 5.47 3.84 1
307 LYS 3.32 1.95 1
308 LEU 0.17 -0.19 1
309 LEU -0.37 -0.44 1
310 ASP -1.32 -0.92 1
311 TYR 5.47 5.12 1
312 THR -0.96 -1.59 1
313 GLU -2.04 -0.14 1
314 LYS -0.25 -0.35 1
316 LEU 1.59 -2.92 1
317 TYR 5.43 4.86 1
318 GLU 3.67 2.30 1
319 ASN 3.97 2.52 1
320 LEU 4.15 2.70 1
321 ARG 5.56 4.29 1
322 ASP 3.78 3.51 1
323 ILE 4.61 4.26 1
324 LEU 5.77 2.51 1
325 LEU 4.42 2.86 1
326 GLN 4.99 2.55 1
328 LEU 3.63 1.88 1
329 LYS 4.61 2.94 1
330 ALA 3.77 2.27 1
331 ILE 1.26 -0.48 1
333 SER -4.69 -3.21 1
334 LYS -1.84 -1.60 1
335 ASP 1.60 -1.12 1
336 ASP -1.66 -2.33 1
338 LYS -0.09 -1.47 1
339 LEU 0.82 -0.12 1
340 ASP 1.40 0.02 1
341 LEU 0.18 0.06 1
342 SER -0.12 -0.45 1
343 VAL 0.33 -0.38 1
344 VAL -0.23 -0.47 1
345 GLU -0.58 -0.47 1
346 ASN -1.22 1.07 1
349 LEU 0.85 0.17 1
350 LYS 0.43 -0.22 1
351 ALA -0.08 -0.31 1
352 LYS 0.32 -0.18 1
353 THR -0.27 -0.30 1
354 ILE 0.30 -0.01 1
355 THR -1.36 0.54 1
356 LYS 0.87 0.24 1
357 LYS 0.68 0.03 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16715_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.26
_LACS_plot.Line_1_terminator_val_y_1 3.78
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.45
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.02
_LACS_plot.Line_2_terminator_val_x_2 7.57
_LACS_plot.Line_2_terminator_val_y_2 -2.13
_LACS_plot.Y_axis_chem_shift_offset 0.38
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
175 HIS 1.92 4.49 0
11 ARG 0.48 -0.70 1
12 GLN 0.76 -0.43 1
13 SER -1.62 1.51 1
15 ALA 0.10 -0.12 1
16 LYS 0.50 -0.55 1
18 HIS -2.47 3.64 1
19 LEU 0.65 -0.67 1
20 ALA 0.49 -0.31 1
21 GLU -0.43 -0.05 1
22 GLN 0.57 -0.09 1
23 PHE -1.78 -1.11 1
24 ALA -2.54 0.56 1
25 VAL 4.44 -2.23 1
27 GLU 1.31 -0.46 1
28 ILE -1.14 -1.62 1
29 ILE -1.73 -0.70 1
30 THR -0.38 0.22 1
31 ASP -2.50 1.54 1
32 MET 3.51 -1.27 1
33 ALA -0.14 -0.72 1
34 LYS 6.07 -4.96 1
35 LYS 1.76 -1.85 1
36 GLU -4.03 1.79 1
37 TRP -3.10 0.63 1
38 LYS -3.22 1.18 1
39 VAL 1.95 -0.97 1
41 LEU 1.21 -0.69 1
43 ILE -2.31 1.11 1
45 GLN -1.35 0.78 1
48 PHE 0.13 -0.09 1
51 ILE -2.13 1.12 1
52 TYR -4.98 2.29 1
53 LEU 0.90 -0.02 1
54 ALA -4.16 2.78 1
55 ASP -6.05 3.54 1
56 MET 2.01 -0.91 1
57 ASN 1.95 -0.91 1
58 SER -1.69 0.68 1
59 SER 1.82 -0.43 1
60 GLU -1.41 0.35 1
61 SER 0.10 -0.17 1
62 VAL 2.80 -1.83 1
64 SER 2.42 -0.81 1
65 ASP -0.28 -0.93 1
66 ALA -0.33 0.61 1
69 VAL -5.72 1.72 1
70 VAL -5.67 0.95 1
71 LYS -2.25 0.91 1
72 VAL -3.83 1.88 1
73 GLU -4.13 3.53 1
75 SER 1.22 -0.14 1
76 ASP 0.67 -0.87 1
77 ASN 0.20 0.19 1
80 LEU 4.66 -2.10 1
81 PHE 3.88 -0.92 1
82 THR 6.20 -1.66 1
83 GLU 3.78 0.12 1
84 LEU 4.04 -1.14 1
85 LYS 4.64 -1.71 1
86 PHE 4.92 -2.21 1
87 TYR 6.36 -1.44 1
88 GLN 3.11 -1.04 1
89 ARG 1.68 -0.15 1
90 ALA -2.21 1.79 1
91 ALA -3.07 1.15 1
92 LYS 4.47 -2.78 1
94 GLU 4.33 -1.78 1
95 GLN 2.72 -0.13 1
96 ILE 4.33 -0.60 1
97 GLN 4.28 -1.34 1
98 LYS 4.38 -1.18 1
99 TRP 3.63 -0.40 1
100 ILE 5.83 -0.85 1
101 ARG 4.02 -1.19 1
102 THR 4.71 -0.85 1
103 ARG 1.27 -2.57 1
104 LYS 5.60 -5.04 1
105 LEU -2.57 0.80 1
106 LYS 3.07 -1.35 1
107 TYR -2.88 0.14 1
108 LEU -3.95 2.28 1
110 VAL -2.85 1.51 1
112 LYS 0.79 -0.59 1
113 TYR -5.58 2.80 1
114 TRP -0.79 0.82 1
116 SER -2.89 2.16 1
118 LEU -4.79 2.99 1
119 HIS -5.27 6.23 1
120 ASP -2.06 0.97 1
121 LYS -1.80 0.70 1
122 ASN 2.30 -1.36 1
124 LYS -2.98 1.17 1
125 SER -1.40 0.49 1
126 TYR -1.90 1.53 1
127 ARG -2.33 0.74 1
128 PHE -6.35 3.33 1
129 MET -5.99 5.21 1
130 ILE 0.35 -2.77 1
131 MET -6.07 4.39 1
132 ASP 0.05 1.86 1
133 ARG -1.30 0.20 1
134 PHE -3.64 3.82 1
136 SER 0.20 0.65 1
137 ASP -3.60 2.55 1
138 LEU 2.51 -1.47 1
139 GLN 6.45 -4.17 1
140 LYS 3.93 -1.01 1
141 ILE 3.84 -0.67 1
142 TYR 3.44 -0.92 1
143 GLU 4.47 -1.51 1
144 ALA 3.31 -1.55 1
145 ASN -0.41 0.14 1
146 ALA 4.06 -3.44 1
147 LYS 5.85 -5.84 1
148 ARG -4.22 3.11 1
149 PHE -7.26 3.16 1
150 SER -1.64 0.87 1
151 ARG 4.50 -0.43 1
152 LYS 4.61 -1.25 1
153 THR 6.38 -1.44 1
154 VAL 7.58 -1.51 1
155 LEU 5.47 -2.33 1
156 GLN 3.96 -0.58 1
157 LEU 2.17 0.29 1
160 ARG 2.16 -0.24 1
161 ILE 6.19 -2.19 1
162 LEU 5.02 -1.46 1
163 ASP 5.25 -1.21 1
165 LEU 2.65 -1.68 1
166 GLU 4.19 -0.97 1
167 TYR 5.82 -0.85 1
171 HIS 4.01 -1.68 1
172 GLU 5.52 -3.24 1
173 TYR -5.18 5.48 1
174 VAL -3.33 0.11 1
177 ASP 0.23 -1.11 1
178 ILE 3.52 -0.28 1
179 LYS -1.00 -0.31 1
180 ALA 7.02 -3.63 1
181 SER 4.07 -1.36 1
182 ASN -1.13 0.00 1
183 LEU -2.59 -0.03 1
184 LEU -4.07 0.96 1
185 LEU -1.09 -0.84 1
186 ASN 0.25 0.92 1
187 TYR 3.30 -0.79 1
188 LYS -0.49 -0.40 1
189 ASN -1.25 0.17 1
191 ASP 0.04 0.48 1
192 GLN -0.61 0.09 1
193 VAL -4.36 0.99 1
194 TYR -4.42 2.55 1
195 LEU -3.58 1.88 1
196 VAL -3.73 0.91 1
197 ASP 3.78 -2.92 1
198 TYR 0.33 -1.16 1
200 LEU -0.55 -1.38 1
201 ALA 0.89 -0.35 1
202 TYR -4.14 3.28 1
203 ARG 1.21 -3.55 1
204 TYR 0.75 -0.52 1
207 GLU 3.41 -3.55 1
209 VAL 0.77 -1.74 1
211 LYS 1.33 -1.15 1
212 GLU -0.81 0.02 1
213 TYR 3.78 -1.42 1
214 LYS -1.47 1.13 1
215 GLU 0.15 -1.17 1
216 ASP -3.17 1.11 1
218 LYS 1.92 -1.50 1
219 ARG -0.51 -0.93 1
221 HIS 2.67 -0.96 1
222 ASP 1.03 -0.13 1
224 THR 3.48 -2.40 1
225 ILE 4.01 -1.37 1
226 GLU 6.17 -2.81 1
227 PHE -3.55 1.54 1
228 THR 2.21 -1.22 1
229 SER -2.15 1.80 1
230 ILE 7.32 -1.23 1
231 ASP 5.05 -1.36 1
232 ALA 4.37 -1.60 1
233 HIS 5.28 -0.06 1
234 ASN 0.06 -0.16 1
236 VAL -1.41 -1.15 1
237 ALA 1.92 -2.06 1
240 ARG 5.30 -0.83 1
241 ARG 4.81 -2.26 1
243 ASP 2.97 -0.07 1
244 LEU 2.96 -1.89 1
245 GLU 2.07 0.64 1
246 ILE 3.94 -0.53 1
247 LEU 4.01 -1.64 1
249 TYR 2.66 -1.96 1
251 MET 4.64 0.53 1
252 ILE 5.48 -0.58 1
253 GLN 4.17 -1.27 1
254 TRP -1.22 1.12 1
255 LEU -0.18 1.66 1
256 THR -2.03 2.52 1
258 HIS -4.09 4.24 1
259 LEU -2.99 1.45 1
261 TRP 1.32 -3.25 1
262 GLU 1.94 -1.64 1
263 ASP 1.98 -1.81 1
264 ASN 0.70 -1.71 1
265 LEU 2.95 -2.27 1
266 LYS 1.77 -1.88 1
267 ASP -3.11 0.62 1
269 LYS 4.88 -1.80 1
270 TYR 3.98 -1.87 1
271 VAL 7.35 -2.47 1
272 ARG 4.88 -1.69 1
273 ASP 4.68 -1.93 1
274 SER 4.12 -0.83 1
275 LYS 5.46 -1.34 1
276 ILE 6.02 -1.14 1
277 ARG 4.77 -1.63 1
278 TYR 4.52 -1.26 1
279 ARG 3.35 -1.23 1
280 GLU 1.81 -0.75 1
281 ASN -1.05 -0.80 1
282 ILE 4.48 -2.41 1
283 ALA 5.01 -1.89 1
284 SER 3.41 -0.58 1
285 LEU 5.62 -2.58 1
286 MET 4.20 -3.59 1
287 ASP 2.86 -0.38 1
288 LYS 1.65 -1.10 1
290 PHE -0.30 -0.48 1
292 GLU 0.76 -0.82 1
293 LYS 2.76 -1.19 1
294 ASN 0.49 -1.41 1
295 LYS 0.17 -0.23 1
298 GLU 4.58 -2.85 1
299 ILE 4.45 -3.91 1
300 ALA 4.85 -1.83 1
301 LYS 3.82 -1.25 1
302 TYR 5.45 -0.59 1
303 MET 3.91 -1.25 1
304 GLU 2.80 -0.58 1
305 THR 7.00 -2.09 1
306 VAL 5.47 -1.63 1
307 LYS 3.32 -1.37 1
308 LEU 0.17 -0.36 1
309 LEU -0.37 -0.07 1
310 ASP -1.32 0.40 1
311 TYR 5.47 -0.35 1
312 THR -0.96 -0.63 1
313 GLU -2.04 1.90 1
314 LYS -0.25 -0.10 1
316 LEU 1.59 -4.51 1
317 TYR 5.43 -0.57 1
318 GLU 3.67 -1.37 1
319 ASN 3.97 -1.45 1
320 LEU 4.15 -1.45 1
321 ARG 5.56 -1.27 1
322 ASP 3.78 -0.27 1
323 ILE 4.61 -0.35 1
324 LEU 5.77 -3.26 1
325 LEU 4.42 -1.56 1
326 GLN 4.99 -2.44 1
328 LEU 3.63 -1.75 1
329 LYS 4.61 -1.67 1
330 ALA 3.77 -1.50 1
331 ILE 1.26 -1.74 1
333 SER -4.69 1.48 1
334 LYS -1.84 0.24 1
335 ASP 1.60 -2.72 1
336 ASP -1.66 -0.67 1
338 LYS -0.09 -1.38 1
339 LEU 0.82 -0.94 1
340 ASP 1.40 -1.38 1
341 LEU 0.18 -0.12 1
342 SER -0.12 -0.33 1
343 VAL 0.33 -0.71 1
344 VAL -0.23 -0.24 1
345 GLU -0.58 0.11 1
346 ASN -1.22 2.29 1
349 LEU 0.85 -0.68 1
350 LYS 0.43 -0.65 1
351 ALA -0.08 -0.23 1
352 LYS 0.32 -0.50 1
353 THR -0.27 -0.03 1
354 ILE 0.30 -0.31 1
355 THR -1.36 1.90 1
356 LYS 0.87 -0.63 1
357 LYS 0.68 -0.65 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16715_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.26
_LACS_plot.Line_1_terminator_val_y_1 0.46
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.00
_LACS_plot.Line_2_terminator_val_x_2 7.57
_LACS_plot.Line_2_terminator_val_y_2 -0.74
_LACS_plot.Y_axis_chem_shift_offset 0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
254 TRP -1.22 -1.25 0
13 SER -1.62 0.19 1
20 ALA 0.49 -0.18 1
21 GLU -0.43 -0.17 1
22 GLN 0.57 -0.36 1
23 PHE -1.78 -0.35 1
24 ALA -2.54 -0.12 1
25 VAL 4.44 0.09 1
27 GLU 1.31 -0.64 1
28 ILE -1.14 0.58 1
29 ILE -1.73 0.17 1
30 THR -0.38 0.75 1
31 ASP -2.50 -0.09 1
32 MET 3.51 -0.18 1
33 ALA -0.14 0.14 1
34 LYS 6.07 -0.80 1
35 LYS 1.76 -0.20 1
36 GLU -4.03 0.49 1
37 TRP -3.10 -0.22 1
38 LYS -3.22 0.37 1
39 VAL 1.95 0.04 1
41 LEU 1.21 -0.42 1
43 ILE -2.31 0.12 1
45 GLN -1.35 0.14 1
48 PHE 0.13 -0.08 1
51 ILE -2.13 0.69 1
52 TYR -4.98 0.42 1
53 LEU 0.90 0.62 1
54 ALA -4.16 -0.06 1
55 ASP -6.05 0.29 1
56 MET 2.01 -1.00 1
57 ASN 1.95 -0.57 1
59 SER 1.82 -0.11 1
60 GLU -1.41 -0.18 1
62 VAL 2.80 -0.02 1
64 SER 2.42 0.19 1
65 ASP -0.28 -0.55 1
66 ALA -0.33 -0.43 1
69 VAL -5.72 0.78 1
70 VAL -5.67 0.83 1
71 LYS -2.25 0.70 1
72 VAL -3.83 0.92 1
73 GLU -4.13 0.44 1
75 SER 1.22 -0.14 1
76 ASP 0.67 -0.52 1
77 ASN 0.20 -0.31 1
80 LEU 4.66 -0.21 1
81 PHE 3.88 -0.55 1
82 THR 6.20 0.03 1
83 GLU 3.78 -0.63 1
84 LEU 4.04 -0.43 1
85 LYS 4.64 -0.63 1
86 PHE 4.92 -1.20 1
87 TYR 6.36 -0.68 1
88 GLN 3.11 -1.18 1
89 ARG 1.68 -0.31 1
90 ALA -2.21 -0.29 1
91 ALA -3.07 0.03 1
92 LYS 4.47 -0.27 1
94 GLU 4.33 -0.34 1
95 GLN 2.72 -0.30 1
96 ILE 4.33 -0.19 1
97 GLN 4.28 -0.51 1
98 LYS 4.38 -0.36 1
100 ILE 5.83 -0.55 1
101 ARG 4.02 -0.54 1
102 THR 4.71 -0.58 1
103 ARG 1.27 -0.39 1
104 LYS 5.60 -0.55 1
105 LEU -2.57 -0.04 1
106 LYS 3.07 -0.30 1
107 TYR -2.88 -0.29 1
108 LEU -3.95 -0.33 1
112 LYS 0.79 -0.18 1
113 TYR -5.58 0.00 1
114 TRP -0.79 -0.43 1
116 SER -2.89 0.20 1
118 LEU -4.79 1.11 1
119 HIS -5.27 0.27 1
120 ASP -2.06 0.66 1
121 LYS -1.80 0.63 1
122 ASN 2.30 -0.48 1
124 LYS -2.98 0.08 1
125 SER -1.40 0.49 1
126 TYR -1.90 0.42 1
127 ARG -2.33 0.38 1
128 PHE -6.35 0.38 1
129 MET -5.99 0.43 1
130 ILE 0.35 0.50 1
131 MET -6.07 0.98 1
132 ASP 0.05 -0.32 1
133 ARG -1.30 -0.01 1
134 PHE -3.64 0.03 1
136 SER 0.20 -0.38 1
137 ASP -3.60 0.84 1
138 LEU 2.51 -0.38 1
139 GLN 6.45 -0.45 1
140 LYS 3.93 -0.41 1
141 ILE 3.84 -0.59 1
142 TYR 3.44 -1.17 1
143 GLU 4.47 -0.95 1
144 ALA 3.31 -0.22 1
145 ASN -0.41 -0.14 1
146 ALA 4.06 -0.67 1
147 LYS 5.85 -0.91 1
148 ARG -4.22 0.28 1
149 PHE -7.26 0.59 1
150 SER -1.64 -0.20 1
151 ARG 4.50 -0.06 1
152 LYS 4.61 -0.69 1
153 THR 6.38 -1.02 1
154 VAL 7.58 -0.25 1
155 LEU 5.47 -0.44 1
156 GLN 3.96 -0.46 1
157 LEU 2.17 -0.73 1
160 ARG 2.16 -0.39 1
161 ILE 6.19 -0.52 1
162 LEU 5.02 -0.46 1
163 ASP 5.25 -0.54 1
165 LEU 2.65 -0.74 1
171 HIS 4.01 -0.45 1
172 GLU 5.52 -0.06 1
173 TYR -5.18 -0.41 1
174 VAL -3.33 0.12 1
175 HIS 1.92 -0.79 1
177 ASP 0.23 0.39 1
178 ILE 3.52 0.14 1
179 LYS -1.00 -0.06 1
180 ALA 7.02 -0.19 1
182 ASN -1.13 0.11 1
183 LEU -2.59 1.02 1
184 LEU -4.07 0.52 1
185 LEU -1.09 0.51 1
186 ASN 0.25 -0.30 1
187 TYR 3.30 -0.72 1
188 LYS -0.49 -0.30 1
189 ASN -1.25 -0.26 1
191 ASP 0.04 -0.23 1
192 GLN -0.61 -0.60 1
193 VAL -4.36 0.74 1
194 TYR -4.42 0.20 1
195 LEU -3.58 0.70 1
196 VAL -3.73 0.76 1
197 ASP 3.78 -0.67 1
198 TYR 0.33 -0.26 1
200 LEU -0.55 -0.02 1
201 ALA 0.89 -0.05 1
207 GLU 3.41 -0.62 1
209 VAL 0.77 -0.24 1
211 LYS 1.33 0.01 1
212 GLU -0.81 -0.21 1
213 TYR 3.78 -0.20 1
214 LYS -1.47 -0.36 1
215 GLU 0.15 -0.79 1
216 ASP -3.17 -0.07 1
218 LYS 1.92 -0.21 1
219 ARG -0.51 -0.01 1
221 HIS 2.67 -0.69 1
222 ASP 1.03 -0.26 1
224 THR 3.48 -0.09 1
225 ILE 4.01 -0.55 1
226 GLU 6.17 -0.70 1
227 PHE -3.55 -0.34 1
229 SER -2.15 -0.04 1
231 ASP 5.05 -0.38 1
232 ALA 4.37 -0.32 1
233 HIS 5.28 -0.69 1
234 ASN 0.06 -0.78 1
236 VAL -1.41 -0.21 1
237 ALA 1.92 -0.87 1
241 ARG 4.81 -0.54 1
245 GLU 2.07 -0.74 1
246 ILE 3.94 -0.33 1
249 TYR 2.66 -1.06 1
251 MET 4.64 -1.02 1
252 ILE 5.48 -0.59 1
253 GLN 4.17 -0.60 1
255 LEU -0.18 -0.80 1
256 THR -2.03 -0.20 1
258 HIS -4.09 0.28 1
259 LEU -2.99 -0.66 1
261 TRP 1.32 0.34 1
262 GLU 1.94 -0.51 1
263 ASP 1.98 -0.30 1
264 ASN 0.70 0.06 1
265 LEU 2.95 -0.51 1
266 LYS 1.77 -0.31 1
267 ASP -3.11 0.07 1
269 LYS 4.88 -0.63 1
270 TYR 3.98 -0.48 1
271 VAL 7.35 -0.43 1
272 ARG 4.88 -0.69 1
273 ASP 4.68 -0.93 1
274 SER 4.12 -0.49 1
275 LYS 5.46 -0.38 1
276 ILE 6.02 -0.83 1
277 ARG 4.77 -0.54 1
278 TYR 4.52 -0.77 1
279 ARG 3.35 -0.22 1
280 GLU 1.81 -0.56 1
281 ASN -1.05 0.07 1
282 ILE 4.48 -0.18 1
283 ALA 5.01 -0.35 1
284 SER 3.41 -0.19 1
285 LEU 5.62 -0.36 1
286 MET 4.20 -0.30 1
287 ASP 2.86 -0.40 1
288 LYS 1.65 -0.31 1
290 PHE -0.30 -0.01 1
292 GLU 0.76 -0.29 1
293 LYS 2.76 -0.34 1
294 ASN 0.49 -0.07 1
295 LYS 0.17 -0.60 1
298 GLU 4.58 -0.26 1
299 ILE 4.45 -0.53 1
300 ALA 4.85 -0.49 1
301 LYS 3.82 -0.40 1
302 TYR 5.45 -0.89 1
303 MET 3.91 -0.37 1
304 GLU 2.80 -0.53 1
305 THR 7.00 -0.65 1
306 VAL 5.47 -0.42 1
307 LYS 3.32 -0.47 1
308 LEU 0.17 -0.37 1
309 LEU -0.37 -0.33 1
310 ASP -1.32 -0.57 1
311 TYR 5.47 -0.82 1
312 THR -0.96 0.13 1
313 GLU -2.04 -0.62 1
314 LYS -0.25 -0.49 1
316 LEU 1.59 -0.45 1
317 TYR 5.43 -0.93 1
318 GLU 3.67 -0.35 1
319 ASN 3.97 -0.32 1
320 LEU 4.15 -0.34 1
321 ARG 5.56 -0.64 1
322 ASP 3.78 -0.33 1
323 ILE 4.61 -0.22 1
324 LEU 5.77 -0.43 1
325 LEU 4.42 -0.46 1
326 GLN 4.99 -0.42 1
328 LEU 3.63 -0.42 1
329 LYS 4.61 -0.31 1
330 ALA 3.77 0.13 1
331 ILE 1.26 -0.19 1
333 SER -4.69 0.18 1
334 LYS -1.84 -0.10 1
335 ASP 1.60 0.38 1
336 ASP -1.66 -0.21 1
338 LYS -0.09 -0.15 1
339 LEU 0.82 -0.43 1
340 ASP 1.40 -0.47 1
341 LEU 0.18 -0.34 1
342 SER -0.12 -0.09 1
343 VAL 0.33 -0.10 1
344 VAL -0.23 -0.15 1
345 GLU -0.58 -0.21 1
349 LEU 0.85 -0.19 1
351 ALA -0.08 -0.19 1
352 LYS 0.32 -0.16 1
353 THR -0.27 -0.15 1
354 ILE 0.30 -0.13 1
355 THR -1.36 -0.24 1
356 LYS 0.87 -0.21 1
357 LYS 0.68 -0.17 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16715_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.26
_LACS_plot.Line_1_terminator_val_y_1 -2.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.44
_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 7.57
_LACS_plot.Line_2_terminator_val_y_2 2.34
_LACS_plot.Y_axis_chem_shift_offset 0.30
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
232 ALA 4.37 7.20 0
12 GLN 0.76 0.63 1
15 ALA 0.10 0.02 1
18 HIS -2.47 2.10 1
19 LEU 0.65 -0.56 1
20 ALA 0.49 -0.27 1
21 GLU -0.43 -0.57 1
22 GLN 0.57 -0.16 1
23 PHE -1.78 -1.33 1
24 ALA -2.54 -0.68 1
25 VAL 4.44 2.06 1
27 GLU 1.31 -2.50 1
28 ILE -1.14 0.30 1
29 ILE -1.73 -2.70 1
30 THR -0.38 0.04 1
31 ASP -2.50 2.49 1
32 MET 3.51 0.58 1
33 ALA -0.14 -1.33 1
34 LYS 6.07 -0.95 1
35 LYS 1.76 -1.04 1
36 GLU -4.03 -0.69 1
37 TRP -3.10 -3.24 1
38 LYS -3.22 -1.92 1
39 VAL 1.95 0.66 1
41 LEU 1.21 -0.88 1
43 ILE -2.31 -0.89 1
45 GLN -1.35 -0.50 1
48 PHE 0.13 -0.03 1
51 ILE -2.13 -1.62 1
52 TYR -4.98 0.09 1
53 LEU 0.90 -1.67 1
54 ALA -4.16 -3.92 1
55 ASP -6.05 -1.13 1
56 MET 2.01 0.06 1
57 ASN 1.95 -1.23 1
59 SER 1.82 0.22 1
60 GLU -1.41 0.28 1
61 SER 0.10 1.74 1
62 VAL 2.80 0.70 1
64 SER 2.42 0.32 1
65 ASP -0.28 -1.16 1
66 ALA -0.33 0.52 1
69 VAL -5.72 -2.47 1
70 VAL -5.67 -2.94 1
71 LYS -2.25 -1.12 1
72 VAL -3.83 -1.19 1
73 GLU -4.13 -1.35 1
75 SER 1.22 -0.55 1
76 ASP 0.67 -0.35 1
77 ASN 0.20 -0.40 1
80 LEU 4.66 1.02 1
81 PHE 3.88 1.76 1
82 THR 6.20 2.79 1
83 GLU 3.78 1.42 1
84 LEU 4.04 0.25 1
85 LYS 4.64 2.28 1
86 PHE 4.92 0.37 1
87 TYR 6.36 1.97 1
88 GLN 3.11 1.14 1
89 ARG 1.68 1.08 1
90 ALA -2.21 -1.96 1
91 ALA -3.07 -1.87 1
94 GLU 4.33 2.76 1
95 GLN 2.72 3.16 1
96 ILE 4.33 1.51 1
97 GLN 4.28 2.65 1
98 LYS 4.38 2.06 1
99 TRP 3.63 1.49 1
100 ILE 5.83 1.98 1
101 ARG 4.02 3.40 1
102 THR 4.71 1.43 1
103 ARG 1.27 -1.81 1
104 LYS 5.60 -0.48 1
105 LEU -2.57 -0.23 1
106 LYS 3.07 0.64 1
107 TYR -2.88 -5.77 1
108 LEU -3.95 -1.53 1
110 VAL -2.85 -1.52 1
112 LYS 0.79 -0.87 1
114 TRP -0.79 0.21 1
116 SER -2.89 -3.08 1
118 LEU -4.79 -1.18 1
119 HIS -5.27 -0.69 1
120 ASP -2.06 -1.03 1
121 LYS -1.80 -0.62 1
122 ASN 2.30 -0.34 1
124 LYS -2.98 -2.45 1
125 SER -1.40 -0.41 1
126 TYR -1.90 -0.96 1
127 ARG -2.33 -2.22 1
128 PHE -6.35 -2.51 1
129 MET -5.99 -3.56 1
130 ILE 0.35 -1.48 1
131 MET -6.07 -1.51 1
132 ASP 0.05 -3.91 1
133 ARG -1.30 -1.82 1
134 PHE -3.64 0.05 1
136 SER 0.20 -0.96 1
137 ASP -3.60 1.34 1
138 LEU 2.51 1.03 1
139 GLN 6.45 1.99 1
140 LYS 3.93 3.19 1
141 ILE 3.84 0.87 1
142 TYR 3.44 3.03 1
143 GLU 4.47 3.27 1
144 ALA 3.31 0.20 1
145 ASN -0.41 -1.43 1
146 ALA 4.06 -2.20 1
147 LYS 5.85 -2.23 1
148 ARG -4.22 -0.87 1
149 PHE -7.26 -0.28 1
150 SER -1.64 -1.08 1
151 ARG 4.50 0.93 1
152 LYS 4.61 0.44 1
153 THR 6.38 1.40 1
154 VAL 7.58 2.25 1
155 LEU 5.47 0.91 1
156 GLN 3.96 3.62 1
157 LEU 2.17 1.29 1
160 ARG 2.16 4.18 1
161 ILE 6.19 1.39 1
162 LEU 5.02 1.59 1
163 ASP 5.25 2.09 1
165 LEU 2.65 -0.74 1
166 GLU 4.19 0.96 1
167 TYR 5.82 3.59 1
171 HIS 4.01 -1.25 1
172 GLU 5.52 -2.74 1
173 TYR -5.18 -1.01 1
174 VAL -3.33 -1.32 1
175 HIS 1.92 3.56 1
177 ASP 0.23 -1.76 1
178 ILE 3.52 -3.29 1
179 LYS -1.00 0.04 1
180 ALA 7.02 0.39 1
181 SER 4.07 -1.19 1
182 ASN -1.13 -3.12 1
183 LEU -2.59 -3.92 1
184 LEU -4.07 -0.92 1
185 LEU -1.09 0.29 1
186 ASN 0.25 0.71 1
187 TYR 3.30 -0.55 1
188 LYS -0.49 -0.49 1
189 ASN -1.25 -1.24 1
191 ASP 0.04 -1.49 1
192 GLN -0.61 -3.01 1
193 VAL -4.36 -3.38 1
194 TYR -4.42 -2.34 1
195 LEU -3.58 -2.05 1
196 VAL -3.73 -2.42 1
197 ASP 3.78 -2.51 1
198 TYR 0.33 1.17 1
200 LEU -0.55 -1.08 1
201 ALA 0.89 -0.68 1
202 TYR -4.14 -2.12 1
203 ARG 1.21 -2.59 1
204 TYR 0.75 -2.81 1
207 GLU 3.41 -0.63 1
209 VAL 0.77 -1.46 1
211 LYS 1.33 1.05 1
212 GLU -0.81 0.61 1
213 TYR 3.78 -1.18 1
214 LYS -1.47 -2.84 1
215 GLU 0.15 -1.28 1
216 ASP -3.17 -0.27 1
218 LYS 1.92 0.65 1
219 ARG -0.51 -0.82 1
221 HIS 2.67 -0.28 1
222 ASP 1.03 -0.88 1
224 THR 3.48 2.38 1
225 ILE 4.01 -1.04 1
226 GLU 6.17 -0.48 1
227 PHE -3.55 -1.39 1
228 THR 2.21 -0.64 1
229 SER -2.15 0.20 1
230 ILE 7.32 1.60 1
231 ASP 5.05 1.27 1
233 HIS 5.28 1.68 1
234 ASN 0.06 0.11 1
236 VAL -1.41 -0.88 1
237 ALA 1.92 -0.88 1
240 ARG 5.30 3.25 1
241 ARG 4.81 0.72 1
243 ASP 2.97 1.47 1
244 LEU 2.96 2.57 1
245 GLU 2.07 0.25 1
246 ILE 3.94 2.88 1
247 LEU 4.01 0.00 1
249 TYR 2.66 3.36 1
251 MET 4.64 1.94 1
252 ILE 5.48 2.88 1
253 GLN 4.17 4.61 1
254 TRP -1.22 0.98 1
255 LEU -0.18 2.38 1
256 THR -2.03 0.95 1
258 HIS -4.09 -1.91 1
259 LEU -2.99 1.59 1
261 TRP 1.32 -0.15 1
262 GLU 1.94 -1.60 1
263 ASP 1.98 -0.04 1
264 ASN 0.70 -1.70 1
265 LEU 2.95 -0.57 1
266 LYS 1.77 -1.42 1
267 ASP -3.11 -1.36 1
269 LYS 4.88 1.12 1
270 TYR 3.98 2.75 1
271 VAL 7.35 -0.27 1
272 ARG 4.88 0.52 1
273 ASP 4.68 2.85 1
274 SER 4.12 0.44 1
275 LYS 5.46 3.44 1
276 ILE 6.02 1.93 1
277 ARG 4.77 3.40 1
278 TYR 4.52 -0.08 1
279 ARG 3.35 1.20 1
280 GLU 1.81 -0.09 1
281 ASN -1.05 -0.60 1
282 ILE 4.48 2.08 1
283 ALA 5.01 2.77 1
284 SER 3.41 2.87 1
285 LEU 5.62 0.84 1
286 MET 4.20 2.57 1
287 ASP 2.86 1.25 1
288 LYS 1.65 1.73 1
290 PHE -0.30 -2.44 1
292 GLU 0.76 -0.63 1
293 LYS 2.76 0.67 1
294 ASN 0.49 -1.39 1
295 LYS 0.17 0.27 1
298 GLU 4.58 0.71 1
299 ILE 4.45 1.20 1
300 ALA 4.85 1.48 1
301 LYS 3.82 3.29 1
302 TYR 5.45 0.72 1
303 MET 3.91 3.42 1
304 GLU 2.80 1.48 1
305 THR 7.00 2.35 1
306 VAL 5.47 1.67 1
307 LYS 3.32 -0.64 1
308 LEU 0.17 0.65 1
309 LEU -0.37 0.14 1
310 ASP -1.32 1.53 1
311 TYR 5.47 0.53 1
312 THR -0.96 0.44 1
313 GLU -2.04 -0.76 1
314 LYS -0.25 -1.17 1
316 LEU 1.59 0.04 1
317 TYR 5.43 1.64 1
318 GLU 3.67 1.52 1
319 ASN 3.97 2.75 1
320 LEU 4.15 0.52 1
321 ARG 5.56 1.80 1
322 ASP 3.78 2.54 1
323 ILE 4.61 2.31 1
324 LEU 5.77 2.31 1
325 LEU 4.42 3.17 1
326 GLN 4.99 3.77 1
328 LEU 3.63 1.30 1
329 LYS 4.61 3.94 1
330 ALA 3.77 2.06 1
331 ILE 1.26 0.01 1
333 SER -4.69 -1.77 1
334 LYS -1.84 -2.24 1
335 ASP 1.60 -0.77 1
336 ASP -1.66 1.11 1
338 LYS -0.09 -1.27 1
339 LEU 0.82 -1.58 1
340 ASP 1.40 -0.92 1
341 LEU 0.18 -0.02 1
342 SER -0.12 -0.55 1
343 VAL 0.33 -0.52 1
344 VAL -0.23 -0.64 1
345 GLU -0.58 -1.54 1
346 ASN -1.22 1.82 1
349 LEU 0.85 0.11 1
350 LYS 0.43 -0.28 1
351 ALA -0.08 -0.32 1
352 LYS 0.32 0.03 1
353 THR -0.27 -0.41 1
354 ILE 0.30 -0.25 1
355 THR -1.36 -0.25 1
356 LYS 0.87 0.11 1
stop_
save_