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 bmr6416_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 -3.63
_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 -2.39
_LACS_plot.Line_2_terminator_val_x_2 9.60
_LACS_plot.Line_2_terminator_val_y_2 6.22
_LACS_plot.Y_axis_chem_shift_offset 0.91
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
10 TRP -6.52 -1.43 0
176 ASP -4.76 -0.01 0
395 HIS -7.90 -2.66 0
340 LEU 3.27 -2.02 0
274 ASN 2.03 -2.90 0
87 ASN 2.11 4.73 0
12 VAL -7.41 -4.04 1
13 ASN -0.23 1.25 1
14 VAL 4.51 2.10 1
17 LEU 4.58 -0.63 1
18 ASN -1.58 -1.50 1
20 HIS -5.79 -2.59 1
21 LEU -5.67 -3.55 1
22 TYR 0.50 -1.81 1
25 ASN 3.31 0.85 1
26 GLN 4.27 2.13 1
27 MET -1.49 -1.58 1
30 GLN 6.31 4.10 1
31 SER 4.41 3.11 1
32 MET 2.06 3.00 1
33 VAL -1.00 0.41 1
34 TYR -3.52 -2.53 1
35 GLU -5.13 -1.09 1
37 LEU 3.06 2.67 1
38 VAL -5.36 -4.57 1
39 LYS -4.85 -2.63 1
40 TYR 0.91 0.93 1
41 GLN -4.39 -2.65 1
42 ALA 2.85 1.41 1
43 ASP 1.14 -1.26 1
45 SER -1.59 -1.04 1
46 VAL -5.01 -4.00 1
47 ILE -0.54 -1.07 1
49 TRP 1.06 0.46 1
50 LEU 4.46 2.32 1
51 ALA -2.75 -1.87 1
52 LYS 0.93 0.89 1
53 SER -0.41 -0.97 1
54 TRP -2.14 -1.63 1
55 THR -3.85 -2.92 1
56 HIS -3.03 -2.65 1
57 SER -0.75 -1.15 1
61 LYS 2.74 1.64 1
62 THR 1.87 0.65 1
63 TRP -2.74 -1.52 1
64 THR 0.82 -0.39 1
65 PHE -1.67 -0.78 1
66 THR 1.81 0.22 1
67 LEU -0.06 -1.35 1
68 ARG 1.05 1.80 1
69 ASP -1.04 -1.37 1
70 ASP -0.25 -1.74 1
71 VAL 2.38 0.16 1
72 LYS -3.13 -2.60 1
73 PHE 1.93 1.44 1
75 ASN 0.53 -1.02 1
77 GLU 1.24 0.36 1
79 PHE 2.22 0.12 1
80 ASP -2.78 -2.70 1
81 ALA 3.92 2.28 1
82 GLU 4.55 2.29 1
83 ALA 4.25 1.86 1
84 ALA 4.11 2.30 1
85 ALA 5.98 3.40 1
86 GLU 2.40 1.80 1
88 PHE 6.41 5.81 1
89 ARG 6.78 3.32 1
90 ALA 3.96 2.21 1
91 VAL 6.40 4.38 1
92 LEU 5.17 1.63 1
93 ASP 3.89 1.60 1
94 ASN -4.11 -3.45 1
95 ARG 5.88 4.72 1
103 LEU 3.92 2.75 1
104 ALA 3.76 1.96 1
105 ASN 0.99 0.46 1
106 GLN 0.48 0.22 1
107 ILE 4.10 2.64 1
108 VAL 0.90 -0.09 1
109 ASP -3.53 -0.63 1
110 VAL -1.64 -1.28 1
111 LYS -4.50 -1.94 1
112 ALA 0.80 -1.77 1
113 LEU 1.37 0.12 1
114 SER -1.41 -2.15 1
116 THR -1.06 -1.32 1
117 GLU -3.89 -1.39 1
118 LEU -7.07 -2.66 1
119 GLN -5.25 -1.66 1
120 ILE -2.16 -0.45 1
121 THR -1.18 -1.10 1
122 LEU -5.10 -2.75 1
123 LYS 2.54 1.38 1
124 SER -3.80 -2.30 1
125 ALA 1.79 -0.80 1
126 TYR -0.39 -1.03 1
127 TYR 5.95 2.65 1
133 LEU 2.43 1.12 1
134 ALA -0.94 -0.90 1
135 LEU 1.36 -1.17 1
137 ARG -4.28 -0.98 1
139 PHE 3.55 -0.72 1
140 ARG -2.74 -1.82 1
141 PHE -0.39 1.60 1
142 ILE -5.55 -4.10 1
143 ALA 0.97 -0.51 1
145 SER 4.22 0.89 1
146 GLN -0.77 -2.63 1
147 PHE 1.30 -1.83 1
148 LYS -0.09 -1.03 1
153 MET 5.10 3.09 1
154 ASN -0.80 -0.75 1
156 ILE -6.20 -2.80 1
157 LYS 4.55 1.98 1
158 ALA -1.41 -1.43 1
160 ILE 0.61 -2.62 1
165 TRP -6.55 -3.92 1
166 ILE -4.07 -2.07 1
167 LEU 2.78 -0.26 1
168 GLN -0.45 0.65 1
169 GLU -4.00 -1.27 1
170 SER -1.94 -1.33 1
171 LYS -1.58 -2.22 1
172 LEU 3.41 1.45 1
173 ASN 3.99 1.82 1
174 GLN 0.29 1.94 1
175 TYR -1.03 -1.35 1
177 VAL -2.44 -1.00 1
178 PHE -4.53 -2.32 1
179 VAL -6.23 -4.37 1
180 ARG 0.68 0.23 1
181 ASN -0.11 -2.42 1
182 GLU 2.66 0.19 1
183 ASN -1.17 -1.58 1
184 TYR -0.13 -0.59 1
185 TRP 1.41 -0.57 1
187 GLU 0.48 -0.79 1
188 LYS 1.21 -0.44 1
190 ALA 1.66 0.80 1
191 ILE -0.16 -2.06 1
192 LYS -0.41 0.25 1
193 LYS -3.43 -0.87 1
194 ILE -3.43 -1.73 1
195 THR 0.97 0.25 1
196 PHE -1.26 -1.58 1
197 ASN 0.44 -0.47 1
198 VAL 3.91 0.01 1
199 ILE -1.47 -0.84 1
203 THR 7.09 4.48 1
204 THR 7.15 4.07 1
205 ARG 6.23 5.09 1
206 ALA 3.77 2.63 1
207 VAL 5.34 3.48 1
208 ALA 4.11 1.64 1
209 PHE 5.03 3.55 1
210 GLU 3.62 2.86 1
211 THR 1.19 0.69 1
213 ASP 2.16 1.82 1
214 ILE -4.04 -2.86 1
215 ASP -0.69 1.61 1
216 LEU -3.33 -1.02 1
217 LEU -2.79 -0.70 1
218 TYR -4.77 -2.63 1
220 ASN -0.50 -2.41 1
221 GLU 4.59 0.98 1
227 ASP 4.90 0.93 1
228 THR 6.48 3.32 1
229 PHE 6.55 5.03 1
230 ALA 4.47 2.14 1
231 ARG 5.23 3.18 1
232 PHE 2.82 -0.76 1
233 SER 3.45 1.77 1
234 GLN -0.18 -1.23 1
235 ASN -2.28 -1.85 1
237 ALA 1.43 -0.19 1
238 TYR -5.14 -5.33 1
239 HIS -1.09 -0.20 1
240 THR -4.95 -3.41 1
241 GLN -5.03 -1.69 1
242 LEU -4.14 -1.80 1
243 SER -0.11 0.06 1
246 ILE 1.83 -1.25 1
247 GLU -2.85 -2.41 1
248 THR 0.26 -0.23 1
249 VAL 1.43 -0.15 1
250 MET -5.73 -2.29 1
251 LEU -1.53 -2.52 1
252 ALA -0.54 -1.77 1
253 LEU -0.67 -2.15 1
254 ASN 2.01 0.24 1
255 THR 1.94 1.82 1
256 ALA -2.08 -2.20 1
257 LYS -4.47 -2.45 1
258 ALA 1.68 0.23 1
260 THR 4.30 0.58 1
261 ASN 3.16 0.37 1
262 GLU -1.09 -1.67 1
263 LEU 5.70 3.20 1
264 ALA 2.22 2.11 1
265 VAL 5.51 2.81 1
266 ARG 7.55 4.85 1
267 GLU 2.55 2.53 1
268 ALA 4.64 3.05 1
269 LEU 6.07 2.52 1
270 ASN 1.99 2.98 1
271 TYR 0.61 1.39 1
272 ALA -1.14 0.92 1
273 VAL 0.39 -0.97 1
275 LYS 4.31 3.69 1
276 LYS 5.04 2.66 1
277 SER 3.23 1.55 1
278 LEU 5.56 3.89 1
279 ILE 5.46 2.91 1
280 ASP 4.56 3.03 1
281 ASN 1.85 1.61 1
282 ALA 1.15 -0.03 1
283 LEU 0.62 -2.26 1
284 TYR 6.41 1.87 1
286 THR 0.43 1.02 1
287 GLN -3.82 -2.88 1
288 GLN -2.90 -1.85 1
289 VAL 2.88 1.44 1
290 ALA -2.94 -2.59 1
292 THR -4.45 -3.14 1
293 LEU 5.45 3.42 1
294 PHE -3.63 -3.63 1
295 ALA 2.83 -0.31 1
297 SER 0.58 -1.45 1
298 VAL 2.33 0.61 1
300 TYR 6.30 2.91 1
301 ALA -1.61 -2.21 1
302 ASN 2.79 -1.41 1
303 LEU -2.24 -1.03 1
305 LEU 3.11 -0.65 1
306 LYS 0.89 -0.17 1
308 SER 1.47 -0.78 1
309 GLN -1.12 -1.24 1
310 TYR 0.82 -0.80 1
311 ASP 1.00 -0.56 1
313 GLN 5.25 2.74 1
314 LYS 4.15 1.77 1
315 ALA 3.16 2.50 1
316 LYS 5.39 4.04 1
317 ALA 4.05 2.00 1
318 LEU 3.09 2.21 1
319 LEU 5.74 2.52 1
320 GLU 4.19 2.68 1
321 LYS 4.33 2.12 1
322 ALA -0.68 -1.13 1
324 TRP -0.46 -2.84 1
325 THR -2.51 -2.17 1
326 LEU -2.57 -3.62 1
330 LYS -3.34 -1.97 1
331 ASP -0.85 -1.11 1
332 ILE -2.74 -4.43 1
333 ARG -0.08 0.20 1
334 GLU -7.33 -2.40 1
335 LYS 0.60 -0.73 1
336 ASN 2.89 0.58 1
338 GLN -2.69 -2.59 1
341 ARG -3.04 -2.68 1
342 ILE -4.71 -1.96 1
343 GLU -1.35 -1.08 1
344 LEU -2.05 -1.72 1
345 SER -1.84 -0.45 1
346 PHE -4.11 -2.97 1
347 ILE 2.86 -0.11 1
349 THR 0.66 -1.31 1
350 ASP -1.08 -1.36 1
351 ALA 3.68 2.32 1
352 LEU 4.85 2.29 1
354 LYS 4.76 3.00 1
355 SER 4.37 2.58 1
356 MET 3.11 4.32 1
357 ALA 4.36 2.53 1
358 GLU 3.79 2.32 1
359 ILE 5.23 3.55 1
360 ILE 6.51 4.24 1
361 ARG 5.77 3.58 1
362 ALA 4.54 2.54 1
363 ASP 5.33 3.27 1
364 MET 6.59 3.26 1
365 ARG 4.88 2.06 1
366 GLN 3.37 1.52 1
367 ILE 0.62 -1.31 1
369 ALA -3.44 -3.43 1
370 ASP -1.95 -1.96 1
371 VAL -0.57 -1.99 1
372 SER -1.73 -2.39 1
373 LEU 1.20 -0.77 1
374 ILE 0.06 -1.98 1
376 GLU -7.74 -2.95 1
377 GLU -0.25 -0.79 1
378 GLU 5.09 3.78 1
380 SER 3.40 1.88 1
381 ILE 5.56 0.29 1
382 TYR 4.53 1.41 1
383 ALA 4.44 2.23 1
384 ARG 5.59 4.05 1
385 GLN 5.34 3.38 1
386 ARG 3.11 1.70 1
387 ASP -0.48 -0.58 1
389 ARG 0.57 -2.04 1
390 PHE -3.13 -2.42 1
392 MET -5.63 -1.97 1
393 ILE -5.22 -2.45 1
394 PHE 3.12 2.69 1
400 ALA -0.03 -1.25 1
410 SER 3.34 2.17 1
411 MET 5.83 2.41 1
412 ARG -0.73 -0.30 1
417 ALA 3.88 1.85 1
418 ASP 2.39 3.56 1
419 PHE 5.75 4.64 1
420 GLN 4.18 1.72 1
421 ALA 4.25 1.35 1
422 GLN 1.16 -0.34 1
423 GLN 3.08 1.72 1
425 LEU 0.72 -1.83 1
426 ALA 3.70 1.68 1
427 ASP 0.06 -1.77 1
428 LYS 9.60 5.64 1
430 LEU 4.05 2.37 1
431 ILE 6.01 4.59 1
432 ASP 5.70 3.23 1
433 LYS 4.47 2.83 1
434 GLU 5.12 2.74 1
435 ILE 4.85 3.62 1
437 GLU 2.90 1.94 1
438 VAL 6.19 2.73 1
439 LEU 3.62 1.48 1
440 ALA -2.02 -2.17 1
441 THR 0.75 0.53 1
445 THR 6.91 4.32 1
446 GLN 4.01 1.86 1
447 ARG 3.39 3.05 1
448 GLN 3.58 2.11 1
449 ALA 4.64 2.44 1
450 LEU 4.03 2.60 1
451 TYR 6.23 4.73 1
452 ARG 5.70 2.98 1
453 ASP 4.15 4.48 1
454 ILE 4.07 4.69 1
455 LEU 5.35 2.33 1
456 THR 7.35 5.21 1
457 ARG 6.07 3.91 1
458 LEU 3.52 2.23 1
460 ASP 4.56 2.62 1
461 GLU 0.46 -0.81 1
462 ALA 3.09 -0.48 1
463 VAL 3.45 2.02 1
464 TYR -4.52 -3.18 1
465 LEU -2.81 -1.49 1
467 ILE 1.16 0.70 1
468 SER -4.62 -2.73 1
474 VAL -4.56 -2.33 1
475 VAL -2.92 -2.68 1
476 SER -2.70 -1.30 1
477 LYS 1.79 0.39 1
479 GLU 4.41 2.01 1
480 LEU 2.27 0.51 1
482 ASN 0.98 0.12 1
483 ILE -0.27 -2.76 1
485 TYR -1.26 -1.57 1
486 ALA -0.81 -1.16 1
494 PHE 4.45 4.36 1
495 GLU 5.01 1.47 1
496 GLN -0.59 -0.82 1
497 ILE 3.41 1.44 1
498 LYS -1.54 -1.48 1
500 VAL 0.02 -0.80 1
501 LYS -1.54 -2.98 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6416_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 4.27
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.23
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.39
_LACS_plot.Line_2_terminator_val_x_2 9.60
_LACS_plot.Line_2_terminator_val_y_2 -3.38
_LACS_plot.Y_axis_chem_shift_offset 0.91
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
10 TRP -6.52 5.09 0
176 ASP -4.76 4.75 0
395 HIS -7.90 5.24 0
340 LEU 3.27 -5.29 0
274 ASN 2.03 -4.93 0
87 ASN 2.11 2.62 0
12 VAL -7.41 3.37 1
13 ASN -0.23 1.48 1
14 VAL 4.51 -2.41 1
17 LEU 4.58 -5.21 1
18 ASN -1.58 0.08 1
20 HIS -5.79 3.20 1
21 LEU -5.67 2.12 1
22 TYR 0.50 -2.31 1
25 ASN 3.31 -2.46 1
26 GLN 4.27 -2.14 1
27 MET -1.49 -0.09 1
30 GLN 6.31 -2.21 1
31 SER 4.41 -1.30 1
32 MET 2.06 0.94 1
33 VAL -1.00 1.41 1
34 TYR -3.52 0.99 1
35 GLU -5.13 4.04 1
37 LEU 3.06 -0.39 1
38 VAL -5.36 0.79 1
39 LYS -4.85 2.22 1
40 TYR 0.91 0.02 1
41 GLN -4.39 1.74 1
42 ALA 2.85 -1.44 1
43 ASP 1.14 -2.40 1
45 SER -1.59 0.55 1
46 VAL -5.01 1.01 1
47 ILE -0.54 -0.53 1
49 TRP 1.06 -0.60 1
50 LEU 4.46 -2.14 1
51 ALA -2.75 0.88 1
52 LYS 0.93 -0.04 1
53 SER -0.41 -0.56 1
54 TRP -2.14 0.51 1
55 THR -3.85 0.93 1
56 HIS -3.03 0.38 1
57 SER -0.75 -0.40 1
61 LYS 2.74 -1.10 1
62 THR 1.87 -1.22 1
63 TRP -2.74 1.22 1
64 THR 0.82 -1.21 1
65 PHE -1.67 0.89 1
66 THR 1.81 -1.59 1
67 LEU -0.06 -1.29 1
68 ARG 1.05 0.75 1
69 ASP -1.04 -0.33 1
70 ASP -0.25 -1.49 1
71 VAL 2.38 -2.22 1
72 LYS -3.13 0.53 1
73 PHE 1.93 -0.49 1
75 ASN 0.53 -1.55 1
77 GLU 1.24 -0.88 1
79 PHE 2.22 -2.10 1
80 ASP -2.78 0.08 1
81 ALA 3.92 -1.64 1
82 GLU 4.55 -2.26 1
83 ALA 4.25 -2.39 1
84 ALA 4.11 -1.81 1
85 ALA 5.98 -2.58 1
86 GLU 2.40 -0.60 1
88 PHE 6.41 -0.60 1
89 ARG 6.78 -3.46 1
90 ALA 3.96 -1.75 1
91 VAL 6.40 -2.02 1
92 LEU 5.17 -3.54 1
93 ASP 3.89 -2.29 1
94 ASN -4.11 0.66 1
95 ARG 5.88 -1.16 1
103 LEU 3.92 -1.17 1
104 ALA 3.76 -1.80 1
105 ASN 0.99 -0.53 1
106 GLN 0.48 -0.26 1
107 ILE 4.10 -1.46 1
108 VAL 0.90 -0.99 1
109 ASP -3.53 2.90 1
110 VAL -1.64 0.36 1
111 LYS -4.50 2.56 1
112 ALA 0.80 -2.57 1
113 LEU 1.37 -1.25 1
114 SER -1.41 -0.74 1
116 THR -1.06 -0.26 1
117 GLU -3.89 2.50 1
118 LEU -7.07 4.41 1
119 GLN -5.25 3.59 1
120 ILE -2.16 1.71 1
121 THR -1.18 0.08 1
122 LEU -5.10 2.35 1
123 LYS 2.54 -1.16 1
124 SER -3.80 1.50 1
125 ALA 1.79 -2.59 1
126 TYR -0.39 -0.64 1
127 TYR 5.95 -3.30 1
133 LEU 2.43 -1.31 1
134 ALA -0.94 0.04 1
135 LEU 1.36 -2.53 1
137 ARG -4.28 3.30 1
139 PHE 3.55 -4.27 1
140 ARG -2.74 0.92 1
141 PHE -0.39 1.99 1
142 ILE -5.55 1.45 1
143 ALA 0.97 -1.48 1
145 SER 4.22 -3.33 1
146 GLN -0.77 -1.86 1
147 PHE 1.30 -3.13 1
148 LYS -0.09 -0.94 1
153 MET 5.10 -2.01 1
154 ASN -0.80 0.05 1
156 ILE -6.20 3.40 1
157 LYS 4.55 -2.57 1
158 ALA -1.41 -0.02 1
160 ILE 0.61 -3.23 1
165 TRP -6.55 2.63 1
166 ILE -4.07 2.00 1
167 LEU 2.78 -3.04 1
168 GLN -0.45 1.10 1
169 GLU -4.00 2.73 1
170 SER -1.94 0.61 1
171 LYS -1.58 -0.64 1
172 LEU 3.41 -1.96 1
173 ASN 3.99 -2.17 1
174 GLN 0.29 1.65 1
175 TYR -1.03 -0.32 1
177 VAL -2.44 1.44 1
178 PHE -4.53 2.21 1
179 VAL -6.23 1.86 1
180 ARG 0.68 -0.45 1
181 ASN -0.11 -2.31 1
182 GLU 2.66 -2.47 1
183 ASN -1.17 -0.41 1
184 TYR -0.13 -0.46 1
185 TRP 1.41 -1.98 1
187 GLU 0.48 -1.27 1
188 LYS 1.21 -1.65 1
190 ALA 1.66 -0.86 1
191 ILE -0.16 -1.90 1
192 LYS -0.41 0.66 1
193 LYS -3.43 2.56 1
194 ILE -3.43 1.70 1
195 THR 0.97 -0.72 1
196 PHE -1.26 -0.32 1
197 ASN 0.44 -0.91 1
198 VAL 3.91 -3.90 1
199 ILE -1.47 0.63 1
203 THR 7.09 -2.61 1
204 THR 7.15 -3.08 1
205 ARG 6.23 -1.14 1
206 ALA 3.77 -1.14 1
207 VAL 5.34 -1.86 1
208 ALA 4.11 -2.47 1
209 PHE 5.03 -1.48 1
210 GLU 3.62 -0.76 1
211 THR 1.19 -0.50 1
213 ASP 2.16 -0.34 1
214 ILE -4.04 1.18 1
215 ASP -0.69 2.30 1
216 LEU -3.33 2.31 1
217 LEU -2.79 2.09 1
218 TYR -4.77 2.14 1
220 ASN -0.50 -1.91 1
221 GLU 4.59 -3.61 1
227 ASP 4.90 -3.97 1
228 THR 6.48 -3.16 1
229 PHE 6.55 -1.52 1
230 ALA 4.47 -2.33 1
231 ARG 5.23 -2.05 1
232 PHE 2.82 -3.58 1
233 SER 3.45 -1.68 1
234 GLN -0.18 -1.05 1
235 ASN -2.28 0.43 1
237 ALA 1.43 -1.62 1
238 TYR -5.14 -0.19 1
239 HIS -1.09 0.89 1
240 THR -4.95 1.54 1
241 GLN -5.03 3.34 1
242 LEU -4.14 2.34 1
243 SER -0.11 0.17 1
246 ILE 1.83 -3.08 1
247 GLU -2.85 0.44 1
248 THR 0.26 -0.49 1
249 VAL 1.43 -1.58 1
250 MET -5.73 3.44 1
251 LEU -1.53 -0.99 1
252 ALA -0.54 -1.23 1
253 LEU -0.67 -1.48 1
254 ASN 2.01 -1.77 1
255 THR 1.94 -0.12 1
256 ALA -2.08 -0.12 1
257 LYS -4.47 2.02 1
258 ALA 1.68 -1.45 1
260 THR 4.30 -3.72 1
261 ASN 3.16 -2.79 1
262 GLU -1.09 -0.58 1
263 LEU 5.70 -2.50 1
264 ALA 2.22 -0.11 1
265 VAL 5.51 -2.70 1
266 ARG 7.55 -2.70 1
267 GLU 2.55 -0.02 1
268 ALA 4.64 -1.59 1
269 LEU 6.07 -3.55 1
270 ASN 1.99 0.99 1
271 TYR 0.61 0.78 1
272 ALA -1.14 2.06 1
273 VAL 0.39 -1.36 1
275 LYS 4.31 -0.62 1
276 LYS 5.04 -2.38 1
277 SER 3.23 -1.68 1
278 LEU 5.56 -1.67 1
279 ILE 5.46 -2.55 1
280 ASP 4.56 -1.53 1
281 ASN 1.85 -0.24 1
282 ALA 1.15 -1.18 1
283 LEU 0.62 -2.88 1
284 TYR 6.41 -4.54 1
286 THR 0.43 0.59 1
287 GLN -3.82 0.94 1
288 GLN -2.90 1.05 1
289 VAL 2.88 -1.44 1
290 ALA -2.94 0.35 1
292 THR -4.45 1.31 1
293 LEU 5.45 -2.03 1
294 PHE -3.63 0.00 1
295 ALA 2.83 -3.14 1
297 SER 0.58 -2.03 1
298 VAL 2.33 -1.72 1
300 TYR 6.30 -3.39 1
301 ALA -1.61 -0.60 1
302 ASN 2.79 -4.20 1
303 LEU -2.24 1.21 1
305 LEU 3.11 -3.76 1
306 LYS 0.89 -1.06 1
308 SER 1.47 -2.25 1
309 GLN -1.12 -0.12 1
310 TYR 0.82 -1.62 1
311 ASP 1.00 -1.56 1
313 GLN 5.25 -2.51 1
314 LYS 4.15 -2.38 1
315 ALA 3.16 -0.66 1
316 LYS 5.39 -1.35 1
317 ALA 4.05 -2.05 1
318 LEU 3.09 -0.88 1
319 LEU 5.74 -3.22 1
320 GLU 4.19 -1.51 1
321 LYS 4.33 -2.21 1
322 ALA -0.68 -0.45 1
324 TRP -0.46 -2.38 1
325 THR -2.51 0.34 1
326 LEU -2.57 -1.05 1
330 LYS -3.34 1.37 1
331 ASP -0.85 -0.26 1
332 ILE -2.74 -1.69 1
333 ARG -0.08 0.28 1
334 GLU -7.33 4.93 1
335 LYS 0.60 -1.33 1
336 ASN 2.89 -2.31 1
338 GLN -2.69 0.10 1
341 ARG -3.04 0.36 1
342 ILE -4.71 2.75 1
343 GLU -1.35 0.27 1
344 LEU -2.05 0.33 1
345 SER -1.84 1.39 1
346 PHE -4.11 1.14 1
347 ILE 2.86 -2.97 1
349 THR 0.66 -1.97 1
350 ASP -1.08 -0.28 1
351 ALA 3.68 -1.36 1
352 LEU 4.85 -2.56 1
354 LYS 4.76 -1.76 1
355 SER 4.37 -1.79 1
356 MET 3.11 1.21 1
357 ALA 4.36 -1.83 1
358 GLU 3.79 -1.47 1
359 ILE 5.23 -1.68 1
360 ILE 6.51 -2.27 1
361 ARG 5.77 -2.19 1
362 ALA 4.54 -2.00 1
363 ASP 5.33 -2.06 1
364 MET 6.59 -3.33 1
365 ARG 4.88 -2.82 1
366 GLN 3.37 -1.85 1
367 ILE 0.62 -1.93 1
369 ALA -3.44 0.01 1
370 ASP -1.95 -0.01 1
371 VAL -0.57 -1.42 1
372 SER -1.73 -0.66 1
373 LEU 1.20 -1.97 1
374 ILE 0.06 -2.04 1
376 GLU -7.74 4.79 1
377 GLU -0.25 -0.54 1
378 GLU 5.09 -1.31 1
380 SER 3.40 -1.52 1
381 ILE 5.56 -5.27 1
382 TYR 4.53 -3.12 1
383 ALA 4.44 -2.21 1
384 ARG 5.59 -1.54 1
385 GLN 5.34 -1.96 1
386 ARG 3.11 -1.41 1
387 ASP -0.48 -0.10 1
389 ARG 0.57 -2.61 1
390 PHE -3.13 0.71 1
392 MET -5.63 3.66 1
393 ILE -5.22 2.77 1
394 PHE 3.12 -0.43 1
400 ALA -0.03 -1.22 1
410 SER 3.34 -1.17 1
411 MET 5.83 -3.42 1
412 ARG -0.73 0.43 1
417 ALA 3.88 -2.03 1
418 ASP 2.39 1.17 1
419 PHE 5.75 -1.11 1
420 GLN 4.18 -2.46 1
421 ALA 4.25 -2.90 1
422 GLN 1.16 -1.50 1
423 GLN 3.08 -1.36 1
425 LEU 0.72 -2.55 1
426 ALA 3.70 -2.02 1
427 ASP 0.06 -1.83 1
428 LYS 9.60 -3.96 1
430 LEU 4.05 -1.68 1
431 ILE 6.01 -1.42 1
432 ASP 5.70 -2.47 1
433 LYS 4.47 -1.64 1
434 GLU 5.12 -2.38 1
435 ILE 4.85 -1.23 1
437 GLU 2.90 -0.96 1
438 VAL 6.19 -3.46 1
439 LEU 3.62 -2.14 1
440 ALA -2.02 -0.15 1
441 THR 0.75 -0.22 1
445 THR 6.91 -2.59 1
446 GLN 4.01 -2.15 1
447 ARG 3.39 -0.34 1
448 GLN 3.58 -1.47 1
449 ALA 4.64 -2.20 1
450 LEU 4.03 -1.43 1
451 TYR 6.23 -1.50 1
452 ARG 5.70 -2.72 1
453 ASP 4.15 0.33 1
454 ILE 4.07 0.62 1
455 LEU 5.35 -3.02 1
456 THR 7.35 -2.14 1
457 ARG 6.07 -2.16 1
458 LEU 3.52 -1.29 1
460 ASP 4.56 -1.94 1
461 GLU 0.46 -1.27 1
462 ALA 3.09 -3.57 1
463 VAL 3.45 -1.43 1
464 TYR -4.52 1.34 1
465 LEU -2.81 1.32 1
467 ILE 1.16 -0.46 1
468 SER -4.62 1.89 1
474 VAL -4.56 2.23 1
475 VAL -2.92 0.24 1
476 SER -2.70 1.40 1
477 LYS 1.79 -1.40 1
479 GLU 4.41 -2.40 1
480 LEU 2.27 -1.76 1
482 ASN 0.98 -0.86 1
483 ILE -0.27 -2.49 1
485 TYR -1.26 -0.31 1
486 ALA -0.81 -0.35 1
494 PHE 4.45 -0.09 1
495 GLU 5.01 -3.54 1
496 GLN -0.59 -0.23 1
497 ILE 3.41 -1.97 1
498 LYS -1.54 0.06 1
500 VAL 0.02 -0.82 1
501 LYS -1.54 -1.44 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6416_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 -2.94
_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 -1.15
_LACS_plot.Line_2_terminator_val_x_2 9.60
_LACS_plot.Line_2_terminator_val_y_2 2.73
_LACS_plot.Y_axis_chem_shift_offset 0.45
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
340 LEU 3.27 -5.78 0
10 TRP -6.52 -0.02 1
12 VAL -7.41 -1.73 1
13 ASN -0.23 1.51 1
14 VAL 4.51 -1.16 1
17 LEU 4.58 -2.41 1
18 ASN -1.58 1.71 1
20 HIS -5.79 0.76 1
21 LEU -5.67 -4.00 1
22 TYR 0.50 0.29 1
25 ASN 3.31 -0.64 1
26 GLN 4.27 -2.53 1
27 MET -1.49 -1.81 1
30 GLN 6.31 1.91 1
31 SER 4.41 0.20 1
32 MET 2.06 -1.17 1
33 VAL -1.00 -0.65 1
34 TYR -3.52 0.83 1
35 GLU -5.13 -2.76 1
37 LEU 3.06 -0.91 1
38 VAL -5.36 -4.14 1
39 LYS -4.85 -0.22 1
40 TYR 0.91 -1.72 1
41 GLN -4.39 -1.39 1
42 ALA 2.85 0.21 1
43 ASP 1.14 0.54 1
45 SER -1.59 -2.86 1
46 VAL -5.01 -0.04 1
47 ILE -0.54 -1.35 1
49 TRP 1.06 -2.73 1
50 LEU 4.46 0.02 1
51 ALA -2.75 -2.58 1
52 LYS 0.93 0.06 1
53 SER -0.41 -2.21 1
54 TRP -2.14 -2.00 1
55 THR -3.85 -2.65 1
56 HIS -3.03 0.49 1
57 SER -0.75 2.86 1
61 LYS 2.74 -0.87 1
62 THR 1.87 -0.81 1
63 TRP -2.74 -1.25 1
64 THR 0.82 -0.11 1
65 PHE -1.67 -0.65 1
66 THR 1.81 -0.15 1
67 LEU -0.06 -1.06 1
68 ARG 1.05 0.72 1
69 ASP -1.04 0.40 1
70 ASP -0.25 -1.14 1
71 VAL 2.38 -0.68 1
72 LYS -3.13 2.06 1
73 PHE 1.93 3.30 1
75 ASN 0.53 1.04 1
79 PHE 2.22 -3.18 1
80 ASP -2.78 -1.39 1
81 ALA 3.92 1.49 1
82 GLU 4.55 2.28 1
83 ALA 4.25 3.95 1
84 ALA 4.11 1.63 1
85 ALA 5.98 2.33 1
86 GLU 2.40 2.73 1
87 ASN 2.11 1.14 1
88 PHE 6.41 1.75 1
89 ARG 6.78 1.61 1
90 ALA 3.96 4.72 1
91 VAL 6.40 1.94 1
92 LEU 5.17 2.41 1
93 ASP 3.89 -0.69 1
94 ASN -4.11 1.38 1
95 ARG 5.88 1.49 1
103 LEU 3.92 0.80 1
104 ALA 3.76 -0.35 1
106 GLN 0.48 0.86 1
107 ILE 4.10 -0.60 1
108 VAL 0.90 -0.66 1
109 ASP -3.53 -2.89 1
110 VAL -1.64 -2.08 1
111 LYS -4.50 -2.05 1
112 ALA 0.80 -1.01 1
113 LEU 1.37 -0.92 1
114 SER -1.41 -0.95 1
116 THR -1.06 -0.90 1
117 GLU -3.89 -2.79 1
118 LEU -7.07 -4.06 1
119 GLN -5.25 -1.19 1
120 ILE -2.16 -2.43 1
121 THR -1.18 -1.10 1
122 LEU -5.10 0.33 1
123 LYS 2.54 -0.39 1
124 SER -3.80 -3.57 1
125 ALA 1.79 -1.12 1
126 TYR -0.39 -1.30 1
127 TYR 5.95 -1.25 1
133 LEU 2.43 0.45 1
134 ALA -0.94 0.57 1
135 LEU 1.36 -1.08 1
137 ARG -4.28 -0.46 1
139 PHE 3.55 -2.13 1
140 ARG -2.74 0.62 1
141 PHE -0.39 -0.91 1
142 ILE -5.55 -2.78 1
143 ALA 0.97 1.21 1
145 SER 4.22 1.39 1
146 GLN -0.77 0.38 1
147 PHE 1.30 -0.22 1
148 LYS -0.09 -0.04 1
153 MET 5.10 -1.65 1
154 ASN -0.80 -0.39 1
156 ILE -6.20 -0.28 1
157 LYS 4.55 -1.47 1
158 ALA -1.41 -0.26 1
160 ILE 0.61 -2.03 1
165 TRP -6.55 -1.89 1
166 ILE -4.07 -0.04 1
167 LEU 2.78 -3.07 1
168 GLN -0.45 -0.75 1
169 GLU -4.00 -3.19 1
170 SER -1.94 -1.51 1
171 LYS -1.58 -0.34 1
172 LEU 3.41 -0.47 1
173 ASN 3.99 -1.20 1
174 GLN 0.29 -1.20 1
175 TYR -1.03 -3.16 1
176 ASP -4.76 -1.55 1
177 VAL -2.44 -1.45 1
178 PHE -4.53 -0.83 1
179 VAL -6.23 -0.57 1
180 ARG 0.68 -0.95 1
181 ASN -0.11 0.90 1
182 GLU 2.66 -0.21 1
183 ASN -1.17 -0.85 1
184 TYR -0.13 -0.33 1
185 TRP 1.41 0.03 1
187 GLU 0.48 -0.44 1
188 LYS 1.21 0.21 1
190 ALA 1.66 0.78 1
191 ILE -0.16 -2.79 1
192 LYS -0.41 -0.22 1
193 LYS -3.43 -3.73 1
194 ILE -3.43 -1.77 1
195 THR 0.97 -2.06 1
196 PHE -1.26 -1.07 1
197 ASN 0.44 -0.26 1
198 VAL 3.91 -0.33 1
199 ILE -1.47 -1.12 1
203 THR 7.09 1.45 1
204 THR 7.15 1.95 1
205 ARG 6.23 0.22 1
206 ALA 3.77 2.01 1
207 VAL 5.34 2.15 1
208 ALA 4.11 1.60 1
209 PHE 5.03 2.26 1
210 GLU 3.62 2.32 1
211 THR 1.19 0.82 1
213 ASP 2.16 -0.25 1
214 ILE -4.04 -2.31 1
215 ASP -0.69 -1.36 1
216 LEU -3.33 -3.03 1
217 LEU -2.79 -4.79 1
218 TYR -4.77 -1.24 1
220 ASN -0.50 -0.57 1
221 GLU 4.59 -0.51 1
227 ASP 4.90 2.71 1
228 THR 6.48 0.09 1
229 PHE 6.55 1.25 1
230 ALA 4.47 2.81 1
231 ARG 5.23 4.05 1
232 PHE 2.82 3.24 1
233 SER 3.45 -0.40 1
234 GLN -0.18 -1.24 1
235 ASN -2.28 0.59 1
237 ALA 1.43 -1.00 1
238 TYR -5.14 -1.43 1
239 HIS -1.09 -0.32 1
240 THR -4.95 -1.25 1
241 GLN -5.03 -2.68 1
242 LEU -4.14 -0.10 1
246 ILE 1.83 0.18 1
247 GLU -2.85 -3.13 1
248 THR 0.26 -1.30 1
249 VAL 1.43 -1.48 1
250 MET -5.73 -3.54 1
251 LEU -1.53 -0.30 1
252 ALA -0.54 -2.91 1
253 LEU -0.67 -2.71 1
254 ASN 2.01 2.43 1
255 THR 1.94 -1.24 1
256 ALA -2.08 -1.44 1
257 LYS -4.47 -2.39 1
258 ALA 1.68 2.31 1
260 THR 4.30 -2.23 1
261 ASN 3.16 -0.92 1
262 GLU -1.09 -0.25 1
263 LEU 5.70 -0.07 1
264 ALA 2.22 2.29 1
265 VAL 5.51 0.65 1
266 ARG 7.55 3.50 1
267 GLU 2.55 2.35 1
268 ALA 4.64 2.36 1
269 LEU 6.07 1.09 1
270 ASN 1.99 1.14 1
271 TYR 0.61 0.53 1
272 ALA -1.14 -0.42 1
273 VAL 0.39 -1.11 1
274 ASN 2.03 0.92 1
275 LYS 4.31 0.63 1
276 LYS 5.04 1.14 1
277 SER 3.23 2.21 1
278 LEU 5.56 1.18 1
279 ILE 5.46 2.82 1
280 ASP 4.56 1.08 1
281 ASN 1.85 0.19 1
282 ALA 1.15 -0.68 1
283 LEU 0.62 -0.36 1
284 TYR 6.41 -0.98 1
286 THR 0.43 -1.91 1
288 GLN -2.90 -0.29 1
289 VAL 2.88 -2.22 1
290 ALA -2.94 -3.00 1
292 THR -4.45 -0.87 1
293 LEU 5.45 -3.87 1
294 PHE -3.63 0.87 1
295 ALA 2.83 -0.04 1
297 SER 0.58 0.42 1
298 VAL 2.33 -0.79 1
300 TYR 6.30 -0.70 1
301 ALA -1.61 0.28 1
302 ASN 2.79 0.48 1
303 LEU -2.24 0.14 1
305 LEU 3.11 -0.19 1
306 LYS 0.89 0.45 1
308 SER 1.47 -1.63 1
309 GLN -1.12 -1.79 1
310 TYR 0.82 -0.04 1
311 ASP 1.00 -2.33 1
313 GLN 5.25 2.94 1
314 LYS 4.15 1.77 1
315 ALA 3.16 1.03 1
316 LYS 5.39 1.06 1
317 ALA 4.05 3.48 1
318 LEU 3.09 2.46 1
319 LEU 5.74 1.23 1
320 GLU 4.19 4.60 1
321 LYS 4.33 1.01 1
322 ALA -0.68 -1.81 1
324 TRP -0.46 -0.98 1
325 THR -2.51 -1.36 1
326 LEU -2.57 -3.06 1
330 LYS -3.34 -1.41 1
331 ASP -0.85 -1.64 1
332 ILE -2.74 -0.41 1
333 ARG -0.08 -1.72 1
334 GLU -7.33 -1.67 1
335 LYS 0.60 0.29 1
336 ASN 2.89 0.10 1
338 GLN -2.69 -1.00 1
341 ARG -3.04 -1.13 1
342 ILE -4.71 -2.00 1
343 GLU -1.35 -1.45 1
344 LEU -2.05 -3.55 1
345 SER -1.84 -1.38 1
346 PHE -4.11 -3.74 1
347 ILE 2.86 1.67 1
349 THR 0.66 -0.81 1
350 ASP -1.08 -1.66 1
351 ALA 3.68 2.61 1
354 LYS 4.76 1.11 1
355 SER 4.37 3.18 1
356 MET 3.11 1.08 1
357 ALA 4.36 0.77 1
358 GLU 3.79 3.11 1
359 ILE 5.23 1.13 1
360 ILE 6.51 1.31 1
361 ARG 5.77 2.13 1
362 ALA 4.54 2.82 1
363 ASP 5.33 5.09 1
364 MET 6.59 1.82 1
365 ARG 4.88 4.15 1
366 GLN 3.37 1.50 1
367 ILE 0.62 -0.72 1
369 ALA -3.44 -2.78 1
370 ASP -1.95 -2.19 1
371 VAL -0.57 -1.11 1
372 SER -1.73 -1.15 1
373 LEU 1.20 -1.22 1
374 ILE 0.06 -2.99 1
376 GLU -7.74 -0.90 1
377 GLU -0.25 0.84 1
378 GLU 5.09 0.57 1
380 SER 3.40 2.42 1
381 ILE 5.56 1.88 1
382 TYR 4.53 2.71 1
383 ALA 4.44 1.52 1
384 ARG 5.59 3.75 1
385 GLN 5.34 0.37 1
386 ARG 3.11 1.51 1
387 ASP -0.48 1.44 1
389 ARG 0.57 -2.08 1
390 PHE -3.13 -2.93 1
392 MET -5.63 -1.97 1
393 ILE -5.22 -2.23 1
394 PHE 3.12 -0.65 1
395 HIS -7.90 -0.95 1
400 ALA -0.03 -0.96 1
410 SER 3.34 0.62 1
411 MET 5.83 -0.24 1
412 ARG -0.73 -0.49 1
417 ALA 3.88 0.78 1
418 ASP 2.39 0.46 1
419 PHE 5.75 3.14 1
420 GLN 4.18 3.48 1
421 ALA 4.25 1.07 1
422 GLN 1.16 -0.06 1
423 GLN 3.08 -0.01 1
425 LEU 0.72 0.48 1
426 ALA 3.70 1.05 1
427 ASP 0.06 -0.39 1
428 LYS 9.60 -1.53 1
430 LEU 4.05 0.84 1
431 ILE 6.01 1.20 1
432 ASP 5.70 3.76 1
433 LYS 4.47 3.22 1
434 GLU 5.12 1.57 1
435 ILE 4.85 0.64 1
437 GLU 2.90 4.40 1
438 VAL 6.19 0.73 1
439 LEU 3.62 -1.98 1
440 ALA -2.02 -0.50 1
441 THR 0.75 -0.10 1
445 THR 6.91 2.77 1
446 GLN 4.01 2.15 1
447 ARG 3.39 1.24 1
448 GLN 3.58 2.92 1
449 ALA 4.64 2.98 1
450 LEU 4.03 1.55 1
451 TYR 6.23 2.56 1
452 ARG 5.70 2.63 1
453 ASP 4.15 1.18 1
454 ILE 4.07 1.16 1
455 LEU 5.35 3.23 1
456 THR 7.35 0.96 1
457 ARG 6.07 2.61 1
458 LEU 3.52 1.76 1
460 ASP 4.56 2.88 1
461 GLU 0.46 -0.86 1
462 ALA 3.09 -3.28 1
463 VAL 3.45 -4.11 1
464 TYR -4.52 -1.05 1
465 LEU -2.81 -1.99 1
467 ILE 1.16 -2.85 1
468 SER -4.62 -1.54 1
474 VAL -4.56 -0.76 1
475 VAL -2.92 -2.58 1
476 SER -2.70 0.14 1
477 LYS 1.79 2.60 1
479 GLU 4.41 -0.10 1
480 LEU 2.27 -1.97 1
482 ASN 0.98 -0.19 1
483 ILE -0.27 -1.15 1
485 TYR -1.26 1.65 1
486 ALA -0.81 0.44 1
494 PHE 4.45 2.29 1
495 GLU 5.01 -0.66 1
496 GLN -0.59 -0.91 1
497 ILE 3.41 -0.90 1
498 LYS -1.54 -3.07 1
500 VAL 0.02 -0.90 1
501 LYS -1.54 -2.96 1
stop_
save_