NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	473290	2nln	7322	cing	1-original	1	unknown	chemical shift

ATOM ID and chemical shift

ID shift atom residue
1 0 N 1
2 0 H 1
3 57.120 CA 1
4 2.940 HA 1
5 63.020 CB 1
6 3.840 HB2 1
7 3.749 HB3 1
8 0 QB 1
9 0 HG 1
10 0 C 1
11 122.000 N 2
12 8.690 H 2
13 65.931 CA 2
14 3.480 HA 2
15 37.813 CB 2
16 1.542 HB 2
17 17.800 CG2 2
18 0.882 HG21 2
19 0.882 HG22 2
20 0.882 HG23 2
21 0 QG2 2
22 30.548 CG1 2
23 1.496 HG12 2
24 0.967 HG13 2
25 0 QG1 2
26 13.460 CD1 2
27 0.336 HD11 2
28 0.336 HD12 2
29 0.336 HD13 2
30 0 QD1 2
31 0 C 2
32 108.800 N 3
33 7.478 H 3
34 62.870 CA 3
35 4.580 HA 3
36 67.568 CB 3
37 4.530 HB 3
38 22.530 CG2 3
39 1.175 HG21 3
40 1.175 HG22 3
41 1.175 HG23 3
42 0 QG2 3
43 0 C 3
44 118.102 N 4
45 7.397 H 4
46 55.497 CA 4
47 4.748 HA 4
48 41.400 CB 4
49 2.840 HB2 4
50 2.840 HB3 4
51 0 QB 4
52 0 CG 4
53 0 HD2 4
54 0 C 4
55 119.024 N 5
56 7.475 H 5
57 63.305 CA 5
58 4.105 HA 5
59 41.004 CB 5
60 1.720 HB 5
61 18.300 CG2 5
62 1.062 HG21 5
63 1.062 HG22 5
64 1.062 HG23 5
65 0 QG2 5
66 27.500 CG1 5
67 1.636 HG12 5
68 1.080 HG13 5
69 0 QG1 5
70 14.700 CD1 5
71 1.007 HD11 5
72 1.007 HD12 5
73 1.007 HD13 5
74 0 QD1 5
75 0 C 5
76 117.884 N 6
77 7.927 H 6
78 53.229 CA 6
79 4.473 HA 6
80 43.600 CB 6
81 1.589 HB2 6
82 1.645 HB3 6
83 0 QB 6
84 27.200 CG 6
85 1.744 HG 6
86 0 QD1 6
87 0 QD2 6
88 22.400 CD1 6
89 0.944 HD11 6
90 0.944 HD12 6
91 0.944 HD13 6
92 1.046 HD21 6
93 1.046 HD22 6
94 1.046 HD23 6
95 25.700 CD2 6
96 0 QQD 6
97 0 C 6
98 113.900 N 7
99 8.663 H 7
100 56.554 CA 7
101 4.620 HA 7
102 63.733 CB 7
103 4.066 HB2 7
104 3.932 HB3 7
105 0 QB 7
106 0 HG 7
107 0 C 7
108 131.200 N 8
109 9.409 H 8
110 55.460 CA 8
111 3.968 HA 8
112 18.309 CB 8
113 1.500 HB1 8
114 1.500 HB2 8
115 1.500 HB3 8
116 0 QB 8
117 0 C 8
118 118.101 N 9
119 8.622 H 9
120 59.545 CA 9
121 4.067 HA 9
122 29.257 CB 9
123 1.958 HB2 9
124 1.958 HB3 9
125 0 QB 9
126 36.500 CG 9
127 2.296 HG2 9
128 2.296 HG3 9
129 0 QG 9
130 0 CD 9
131 0 HE2 9
132 0 C 9
133 123.100 N 10
134 7.366 H 10
135 57.021 CA 10
136 4.424 HA 10
137 39.407 CB 10
138 2.780 HB2 10
139 3.080 HB3 10
140 0 QB 10
141 0 CG 10
142 0 HD2 10
143 0 C 10
144 120.400 N 11
145 8.058 H 11
146 66.029 CA 11
147 3.193 HA 11
148 38.273 CB 11
149 1.878 HB 11
150 18.600 CG2 11
151 0.958 HG21 11
152 0.958 HG22 11
153 0.958 HG23 11
154 0 QG2 11
155 29.860 CG1 11
156 1.881 HG12 11
157 0.876 HG13 11
158 0 QG1 11
159 14.500 CD1 11
160 0.948 HD11 11
161 0.948 HD12 11
162 0.948 HD13 11
163 0 QD1 11
164 0 C 11
165 120.600 N 12
166 8.097 H 12
167 55.337 CA 12
168 4.035 HA 12
169 17.705 CB 12
170 1.470 HB1 12
171 1.470 HB2 12
172 1.470 HB3 12
173 0 QB 12
174 0 C 12
175 121.300 N 13
176 7.823 H 13
177 54.934 CA 13
178 4.062 HA 13
179 17.721 CB 13
180 1.414 HB1 13
181 1.414 HB2 13
182 1.414 HB3 13
183 0 QB 13
184 0 C 13
185 123.500 N 14
186 8.255 H 14
187 54.469 CA 14
188 3.903 HA 14
189 18.412 CB 14
190 0.992 HB1 14
191 0.992 HB2 14
192 0.992 HB3 14
193 0 QB 14
194 0 C 14
195 118.715 N 15
196 8.459 H 15
197 56.807 CA 15
198 4.327 HA 15
199 40.966 CB 15
200 1.509 HB2 15
201 1.916 HB3 15
202 0 QB 15
203 27.300 CG 15
204 1.941 HG 15
205 0 QD1 15
206 0 QD2 15
207 25.300 CD1 15
208 0.982 HD11 15
209 0.982 HD12 15
210 0.982 HD13 15
211 0.905 HD21 15
212 0.905 HD22 15
213 0.905 HD23 15
214 27.400 CD2 15
215 0 QQD 15
216 0 C 15
217 121.700 N 16
218 8.360 H 16
219 58.956 CA 16
220 4.055 HA 16
221 28.104 CB 16
222 2.141 HB2 16
223 2.141 HB3 16
224 0 QB 16
225 33.814 CG 16
226 2.380 HG2 16
227 2.430 HG3 16
228 0 QG 16
229 0 CD 16
230 111.684 NE2 16
231 7.450 HE21 16
232 6.761 HE22 16
233 0 QE2 16
234 0 C 16
235 116.511 N 17
236 7.632 H 17
237 57.743 CA 17
238 4.222 HA 17
239 30.200 CB 17
240 2.103 HB2 17
241 2.223 HB3 17
242 0 QB 17
243 36.350 CG 17
244 2.351 HG2 17
245 2.351 HG3 17
246 0 QG 17
247 0 CD 17
248 0 HE2 17
249 0 C 17
250 112.900 N 18
251 7.413 H 18
252 54.670 CA 18
253 5.694 HA 18
254 27.799 CB 18
255 2.844 HB2 18
256 3.186 HB3 18
257 0 QB 18
258 0 HG 18
259 0 C 18
260 123.200 N 19
261 7.155 H 19
262 59.413 CA 19
263 4.153 HA 19
264 29.211 CB 19
265 2.071 HB2 19
266 2.264 HB3 19
267 0 QB 19
268 33.573 CG 19
269 2.426 HG2 19
270 2.383 HG3 19
271 0 QG 19
272 0 CD 19
273 111.800 NE2 19
274 7.603 HE21 19
275 6.825 HE22 19
276 0 QE2 19
277 0 C 19
278 118.600 N 20
279 8.327 H 20
280 52.870 CA 20
281 4.968 HA 20
282 39.700 CB 20
283 2.567 HB2 20
284 2.567 HB3 20
285 0 QB 20
286 0 CG 20
287 0 HD2 20
288 0 C 20
289 0 N 21
290 0 H 21
291 64.510 CA 21
292 3.993 HA 21
293 31.800 CB 21
294 1.872 HB2 21
295 2.175 HB3 21
296 0 QB 21
297 27.910 CG 21
298 1.997 HG2 21
299 1.997 HG3 21
300 0 QG 21
301 50.400 CD 21
302 3.650 HD2 21
303 3.980 HD3 21
304 0 QD 21
305 0 C 21
306 114.999 N 22
307 7.463 H 22
308 58.600 CA 22
309 4.428 HA 22
310 38.273 CB 22
311 2.950 HB2 22
312 2.950 HB3 22
313 0 QB 22
314 0 CG 22
315 0 HD2 22
316 0 C 22
317 104.300 N 23
318 7.315 H 23
319 62.560 CA 23
320 4.580 HA 23
321 70.860 CB 23
322 4.446 HB 23
323 21.500 CG2 23
324 1.130 HG21 23
325 1.130 HG22 23
326 1.130 HG23 23
327 0 QG2 23
328 0 C 23
329 124.800 N 24
330 9.193 H 24
331 59.100 CA 24
332 4.458 HA 24
333 39.300 CB 24
334 2.824 HB2 24
335 2.930 HB3 24
336 0 QB 24
337 0 CG 24
338 131.700 CD1 24
339 7.220 HD1 24
340 131.700 CD2 24
341 7.220 HD2 24
342 0 QD 24
343 0 CE1 24
344 6.755 HE1 24
345 0 CE2 24
346 6.755 HE2 24
347 0 QE 24
348 0 QR 24
349 0 CZ 24
350 0 HZ 24
351 0 C 24
352 129.700 N 25
353 7.998 H 25
354 52.426 CA 25
355 4.465 HA 25
356 32.288 CB 25
357 1.908 HB2 25
358 1.620 HB3 25
359 0 QB 25
360 35.900 CG 25
361 2.087 HG2 25
362 2.087 HG3 25
363 0 QG 25
364 0 CD 25
365 0 HE2 25
366 0 C 25
367 0 N 26
368 0 H 26
369 65.960 CA 26
370 2.877 HA 26
371 31.687 CB 26
372 1.755 HB2 26
373 1.755 HB3 26
374 0 QB 26
375 26.987 CG 26
376 1.602 HG2 26
377 1.932 HG3 26
378 0 QG 26
379 50.358 HD2 26
380 3.732 HD3 26
381 3.304 HD3 26
382 0 QD 26
383 0 C 26
384 112.979 N 27
385 8.399 H 27
386 59.735 CA 27
387 3.801 HA 27
388 27.720 CB 27
389 1.993 HB2 27
390 1.993 HB3 27
391 0 QB 27
392 34.215 CG 27
393 2.367 HG2 27
394 2.436 HG3 27
395 0 QG 27
396 0 CD 27
397 112.800 NE2 27
398 7.800 HE21 27
399 6.927 HE22 27
400 0 QE2 27
401 0 C 27
402 118.900 N 28
403 6.838 H 28
404 59.083 CA 28
405 3.951 HA 28
406 32.428 CB 28
407 1.810 HB2 28
408 1.730 HB3 28
409 0 QB 28
410 24.444 CG 28
411 1.371 HG2 28
412 1.371 HG3 28
413 0 QG 28
414 29.300 CD 28
415 1.571 HD2 28
416 1.571 HD3 28
417 0 QD 28
418 42.139 CE 28
419 2.855 HE2 28
420 2.855 HE3 28
421 0 QE 28
422 0 NZ 28
423 0 HZ1 28
424 0 HZ2 28
425 0 HZ3 28
426 0 QZ 28
427 0 C 28
428 119.200 N 29
429 7.744 H 29
430 61.716 CA 29
431 4.311 HA 29
432 40.047 CB 29
433 2.460 HB2 29
434 2.740 HB3 29
435 0 QB 29
436 0 CG 29
437 0 CD1 29
438 7.156 HD1 29
439 0 CD2 29
440 7.156 HD2 29
441 0 QD 29
442 131.200 CE1 29
443 6.605 HE1 29
444 131.200 CE2 29
445 6.605 HE2 29
446 0 QE 29
447 0 QR 29
448 0 CZ 29
449 0 HZ 29
450 0 C 29
451 120.000 N 30
452 8.991 H 30
453 58.423 CA 30
454 4.370 HA 30
455 36.555 CB 30
456 3.241 HB2 30
457 3.241 HB3 30
458 0 QB 30
459 0 CG 30
460 131.600 CD1 30
461 7.259 HD1 30
462 131.600 CD2 30
463 7.259 HD2 30
464 0 QD 30
465 130.600 CE1 30
466 7.158 HE1 30
467 130.600 CE2 30
468 7.158 HE2 30
469 0 QE 30
470 0 QR 30
471 0 CZ 30
472 0 HZ 30
473 0 C 30
474 119.100 N 31
475 7.852 H 31
476 58.265 CA 31
477 4.347 HA 31
478 28.480 CB 31
479 2.167 HB2 31
480 2.229 HB3 31
481 0 QB 31
482 33.340 CG 31
483 2.384 HG2 31
484 2.450 HG3 31
485 0 QG 31
486 0 CD 31
487 111.958 NE2 31
488 7.567 HE21 31
489 6.802 HE22 31
490 0 QE2 31
491 0 C 31
492 120.300 N 32
493 9.341 H 32
494 66.304 CA 32
495 3.684 HA 32
496 67.846 CB 32
497 3.730 HB 32
498 22.380 CG2 32
499 0.955 HG21 32
500 0.955 HG22 32
501 0.955 HG23 32
502 0 QG2 32
503 0 C 32
504 110.400 N 33
505 7.949 H 33
506 61.090 CA 33
507 3.398 HA 33
508 63.594 CB 33
509 2.696 HB2 33
510 3.397 HB3 33
511 0 QB 33
512 0 HG 33
513 0 C 33
514 106.500 N 34
515 7.066 H 34
516 45.132 CA 34
517 3.840 HA2 34
518 4.408 HA3 34
519 0 QA 34
520 0 C 34
521 124.000 N 35
522 7.945 H 35
523 58.831 CA 35
524 3.908 HA 35
525 42.751 CB 35
526 1.294 HB2 35
527 2.012 HB3 35
528 0 QB 35
529 28.900 CG 35
530 1.858 HG 35
531 0 QD1 35
532 0 QD2 35
533 26.300 CD1 35
534 1.160 HD11 35
535 1.160 HD12 35
536 1.160 HD13 35
537 1.308 HD21 35
538 1.308 HD22 35
539 1.308 HD23 35
540 26.300 CD2 35
541 0 QQD 35
542 0 C 35
543 109.500 N 36
544 8.006 H 36
545 60.749 CA 36
546 3.976 HA 36
547 63.447 CB 36
548 4.046 HB2 36
549 3.679 HB3 36
550 0 QB 36
551 0 HG 36
552 0 C 36
553 118.695 N 37
554 7.223 H 37
555 55.668 CA 37
556 4.500 HA 37
557 33.042 CB 37
558 1.797 HB2 37
559 1.938 HB3 37
560 0 QB 37
561 24.819 CG 37
562 1.432 HG2 37
563 1.432 HG3 37
564 0 QG 37
565 29.503 CD 37
566 1.636 HD2 37
567 1.693 HD3 37
568 0 QD 37
569 42.300 CE 37
570 2.983 HE2 37
571 2.983 HE3 37
572 0 QE 37
573 0 NZ 37
574 0 HZ1 37
575 0 HZ2 37
576 0 HZ3 37
577 0 QZ 37
578 0 C 37
579 119.397 N 38
580 7.263 H 38
581 54.753 CA 38
582 4.614 HA 38
583 34.911 CB 38
584 2.074 HB2 38
585 2.225 HB3 38
586 0 QB 38
587 33.300 CG 38
588 2.573 HG2 38
589 2.806 HG3 38
590 0 QG 38
591 19.470 CE 38
592 2.054 HE1 38
593 2.054 HE2 38
594 2.054 HE3 38
595 0 QE 38
596 0 C 38
597 119.197 N 39
598 9.311 H 39
599 57.403 CA 39
600 4.484 HA 39
601 65.138 CB 39
602 4.036 HB2 39
603 4.349 HB3 39
604 0 QB 39
605 0 HG 39
606 0 C 39
607 123.400 N 40
608 8.958 H 40
609 55.877 CA 40
610 4.098 HA 40
611 17.999 CB 40
612 1.397 HB1 40
613 1.397 HB2 40
614 1.397 HB3 40
615 0 QB 40
616 0 C 40
617 112.200 N 41
618 8.425 H 41
619 61.750 CA 41
620 4.059 HA 41
621 62.542 CB 41
622 3.860 HB2 41
623 3.860 HB3 41
624 0 QB 41
625 0 HG 41
626 0 C 41
627 122.200 N 42
628 7.594 H 42
629 59.200 CA 42
630 4.286 HA 42
631 30.005 CB 42
632 2.013 HB2 42
633 2.476 HB3 42
634 0 QB 42
635 35.152 CG 42
636 2.456 HG2 42
637 2.456 HG3 42
638 0 QG 42
639 0 CD 42
640 113.200 NE2 42
641 7.729 HE21 42
642 6.952 HE22 42
643 0 QE2 42
644 0 C 42
645 119.500 N 43
646 8.662 H 43
647 67.601 CA 43
648 3.553 HA 43
649 31.137 CB 43
650 2.193 HB 43
651 0 QG1 43
652 0 QG2 43
653 23.100 CG1 43
654 0.923 HG11 43
655 0.923 HG12 43
656 0.923 HG13 43
657 0.947 HG21 43
658 0.947 HG22 43
659 0.947 HG23 43
660 24.970 CG2 43
661 0 QQG 43
662 0 C 43
663 120.000 N 44
664 7.973 H 44
665 60.238 CA 44
666 4.016 HA 44
667 32.000 CB 44
668 1.893 HB2 44
669 1.893 HB3 44
670 0 QB 44
671 25.900 CG 44
672 1.317 HG2 44
673 1.577 HG3 44
674 0 QG 44
675 29.503 CD 44
676 1.608 HD2 44
677 1.608 HD3 44
678 0 QD 44
679 42.230 CE 44
680 2.830 HE2 44
681 2.830 HE3 44
682 0 QE 44
683 0 NZ 44
684 0 HZ1 44
685 0 HZ2 44
686 0 HZ3 44
687 0 QZ 44
688 0 C 44
689 120.300 N 45
690 7.711 H 45
691 57.380 CA 45
692 4.368 HA 45
693 40.550 CB 45
694 2.519 HB2 45
695 2.951 HB3 45
696 0 QB 45
697 0 CG 45
698 0 HD2 45
699 0 C 45
700 120.300 N 46
701 8.284 H 46
702 64.947 CA 46
703 3.774 HA 46
704 37.438 CB 46
705 2.347 HB 46
706 17.050 CG2 46
707 1.075 HG21 46
708 1.075 HG22 46
709 1.075 HG23 46
710 0 QG2 46
711 30.300 CG1 46
712 2.017 HG12 46
713 1.259 HG13 46
714 0 QG1 46
715 14.000 CD1 46
716 0.965 HD11 46
717 0.965 HD12 46
718 0.965 HD13 46
719 0 QD1 46
720 0 C 46
721 120.600 N 47
722 8.772 H 47
723 62.159 CA 47
724 3.427 HA 47
725 38.480 CB 47
726 2.972 HB2 47
727 3.205 HB3 47
728 0 QB 47
729 0 CG 47
730 0 CD1 47
731 6.538 HD1 47
732 0 CD2 47
733 6.538 HD2 47
734 0 QD 47
735 0 CE1 47
736 6.786 HE1 47
737 0 CE2 47
738 6.786 HE2 47
739 0 QE 47
740 0 QR 47
741 0 CZ 47
742 0 HZ 47
743 0 C 47
744 115.800 N 48
745 7.536 H 48
746 58.794 CA 48
747 3.943 HA 48
748 29.810 CB 48
749 1.698 HB2 48
750 1.640 HB3 48
751 0 QB 48
752 28.040 CG 48
753 1.538 HG2 48
754 1.704 HG3 48
755 0 QG 48
756 43.371 CD 48
757 3.055 HD2 48
758 3.055 HD3 48
759 0 QD 48
760 120.900 NE 48
761 7.140 HE 48
762 0 CZ 48
763 0 NH1 48
764 0 NH2 48
765 0 HH21 48
766 0 HH22 48
767 0 QHZ 48
768 0 C 48
769 115.000 N 49
770 7.461 H 49
771 59.840 CA 49
772 4.349 HA 49
773 39.100 CB 49
774 2.889 HB2 49
775 3.204 HB3 49
776 0 QB 49
777 0 CG 49
778 0 CD1 49
779 7.058 HD1 49
780 0 CD2 49
781 7.058 HD2 49
782 0 QD 49
783 0 CE1 49
784 6.471 HE1 49
785 0 CE2 49
786 6.471 HE2 49
787 0 QE 49
788 0 QR 49
789 0 CZ 49
790 0 HZ 49
791 0 C 49
792 118.700 N 50
793 7.384 H 50
794 62.841 CA 50
795 3.587 HA 50
796 37.712 CB 50
797 1.339 HB 50
798 18.060 CG2 50
799 0.588 HG21 50
800 0.588 HG22 50
801 0.588 HG23 50
802 0 QG2 50
803 27.700 CG1 50
804 1.256 HG12 50
805 0.572 HG13 50
806 0 QG1 50
807 14.010 CD1 50
808 0.411 HD11 50
809 0.411 HD12 50
810 0.411 HD13 50
811 0 QD1 50
812 0 C 50
813 119.700 N 51
814 7.426 H 51
815 52.316 CA 51
816 4.212 HA 51
817 39.274 CB 51
818 2.210 HB2 51
819 1.534 HB3 51
820 0 QB 51
821 0 CG 51
822 0 HD2 51
823 0 C 51
824 121.300 N 52
825 8.061 H 52
826 56.100 CA 52
827 4.260 HA 52
828 38.718 CB 52
829 2.704 HB2 52
830 2.704 HB3 52
831 0 QB 52
832 0 CG 52
833 114.100 ND2 52
834 7.688 HD21 52
835 6.927 HD22 52
836 0 QD2 52
837 0 C 52
838 117.200 N 53
839 8.343 H 53
840 53.450 CA 53
841 4.507 HA 53
842 39.715 CB 53
843 2.782 HB2 53
844 2.782 HB3 53
845 0 QB 53
846 0 CG 53
847 0 HD2 53
848 0 C 53
849 115.600 N 54
850 7.861 H 54
851 56.846 CA 54
852 3.840 HA 54
853 26.350 CB 54
854 2.140 HB2 54
855 2.140 HB3 54
856 0 QB 54
857 34.500 CG 54
858 2.227 HG2 54
859 2.227 HG3 54
860 0 QG 54
861 0 CD 54
862 114.300 NE2 54
863 7.488 HE21 54
864 6.801 HE22 54
865 0 QE2 54
866 0 C 54
867 117.400 N 55
868 8.948 H 55
869 59.632 CA 55
870 4.282 HA 55
871 64.346 CB 55
872 3.714 HB2 55
873 3.880 HB3 55
874 0 QB 55
875 0 HG 55
876 0 C 55
877 114.800 N 56
878 10.560 H 56
879 45.018 CA 56
880 3.473 HA2 56
881 4.224 HA3 56
882 0 QA 56
883 0 C 56
884 115.797 N 57
885 7.730 H 57
886 56.363 CA 57
887 5.353 HA 57
888 41.902 CB 57
889 2.564 HB2 57
890 2.850 HB3 57
891 0 QB 57
892 0 CG 57
893 133.900 CD1 57
894 6.775 HD1 57
895 133.900 CD2 57
896 6.775 HD2 57
897 0 QD 57
898 118.000 CE1 57
899 6.823 HE1 57
900 118.000 CE2 57
901 6.823 HE2 57
902 0 QE 57
903 0 QR 57
904 0 CZ 57
905 0 HH 57
906 0 C 57
907 119.500 N 58
908 9.124 H 58
909 53.271 CA 58
910 4.718 HA 58
911 42.960 CB 58
912 1.429 HB2 58
913 1.744 HB3 58
914 0 QB 58
915 26.700 CG 58
916 1.739 HG 58
917 0 QD1 58
918 0 QD2 58
919 25.100 CD1 58
920 0.734 HD11 58
921 0.734 HD12 58
922 0.734 HD13 58
923 0.489 HD21 58
924 0.489 HD22 58
925 0.489 HD23 58
926 23.000 CD2 58
927 0 QQD 58
928 0 C 58
929 123.700 N 59
930 8.569 H 59
931 52.909 CA 59
932 4.878 HA 59
933 42.794 CB 59
934 2.709 HB2 59
935 2.925 HB3 59
936 0 QB 59
937 0 CG 59
938 0 HD2 59
939 0 C 59
940 108.300 N 60
941 8.708 H 60
942 47.817 CA 60
943 3.620 HA2 60
944 3.953 HA3 60
945 0 QA 60
946 0 C 60
947 120.700 N 61
948 8.448 H 61
949 56.560 CA 61
950 4.475 HA 61
951 40.457 CB 61
952 2.736 HB2 61
953 2.736 HB3 61
954 0 QB 61
955 0 CG 61
956 0 HD2 61
957 0 C 61
958 117.400 N 62
959 7.994 H 62
960 57.070 CA 62
961 4.451 HA 62
962 30.406 CB 62
963 2.227 HB2 62
964 2.227 HB3 62
965 0 QB 62
966 36.404 CG 62
967 2.478 HG2 62
968 2.478 HG3 62
969 0 QG 62
970 0 CD 62
971 0 HE2 62
972 0 C 62
973 119.900 N 63
974 7.808 H 63
975 57.680 CA 63
976 3.997 HA 63
977 41.667 CB 63
978 1.254 HB2 63
979 1.837 HB3 63
980 0 QB 63
981 26.300 CG 63
982 1.895 HG 63
983 0 QD1 63
984 0 QD2 63
985 26.000 CD1 63
986 0.836 HD11 63
987 0.836 HD12 63
988 0.836 HD13 63
989 0.738 HD21 63
990 0.738 HD22 63
991 0.738 HD23 63
992 22.800 CD2 63
993 0 QQD 63
994 0 C 63
995 116.900 N 64
996 7.767 H 64
997 58.712 CA 64
998 3.845 HA 64
999 31.207 CB 64
1000 1.330 HB2 64
1001 1.556 HB3 64
1002 0 QB 64
1003 22.880 CG 64
1004 0.490 HG2 64
1005 0.770 HG3 64
1006 0 QG 64
1007 29.300 CD 64
1008 1.432 HD2 64
1009 1.432 HD3 64
1010 0 QD 64
1011 41.698 CE 64
1012 2.769 HE2 64
1013 2.769 HE3 64
1014 0 QE 64
1015 0 NZ 64
1016 0 HZ1 64
1017 0 HZ2 64
1018 0 HZ3 64
1019 0 QZ 64
1020 0 C 64
1021 119.200 N 65
1022 7.470 H 65
1023 56.926 CA 65
1024 4.615 HA 65
1025 37.276 CB 65
1026 2.746 HB2 65
1027 3.535 HB3 65
1028 0 QB 65
1029 0 CG 65
1030 132.300 CD1 65
1031 7.146 HD1 65
1032 132.300 CD2 65
1033 7.146 HD2 65
1034 0 QD 65
1035 118.300 CE1 65
1036 6.850 HE1 65
1037 118.300 CE2 65
1038 6.850 HE2 65
1039 0 QE 65
1040 0 QR 65
1041 0 CZ 65
1042 0 HH 65
1043 0 C 65
1044 120.300 N 66
1045 7.719 H 66
1046 62.625 CA 66
1047 4.095 HA 66
1048 41.747 CB 66
1049 2.447 HB2 66
1050 3.510 HB3 66
1051 0 QB 66
1052 0 CG 66
1053 131.800 CD1 66
1054 6.810 HD1 66
1055 131.800 CD2 66
1056 6.810 HD2 66
1057 0 QD 66
1058 130.600 CE1 66
1059 7.076 HE1 66
1060 130.600 CE2 66
1061 7.076 HE2 66
1062 0 QE 66
1063 0 QR 66
1064 0 CZ 66
1065 0 HZ 66
1066 0 C 66
1067 111.900 N 67
1068 8.580 H 67
1069 57.611 CA 67
1070 3.829 HA 67
1071 40.897 CB 67
1072 1.227 HB2 67
1073 1.915 HB3 67
1074 0 QB 67
1075 26.300 CG 67
1076 1.334 HG 67
1077 0 QD1 67
1078 0 QD2 67
1079 25.100 CD1 67
1080 0.690 HD11 67
1081 0.690 HD12 67
1082 0.690 HD13 67
1083 0.243 HD21 67
1084 0.243 HD22 67
1085 0.243 HD23 67
1086 21.700 CD2 67
1087 0 QQD 67
1088 0 C 67
1089 115.800 N 68
1090 7.260 H 68
1091 55.949 CA 68
1092 4.658 HA 68
1093 26.799 CB 68
1094 2.047 HB2 68
1095 2.236 HB3 68
1096 0 QB 68
1097 34.175 CG 68
1098 2.310 HG2 68
1099 2.510 HG3 68
1100 0 QG 68
1101 0 CD 68
1102 113.100 NE2 68
1103 7.620 HE21 68
1104 6.898 HE22 68
1105 0 QE2 68
1106 0 C 68
1107 115.500 N 69
1108 7.340 H 69
1109 55.329 CA 69
1110 3.927 HA 69
1111 30.430 CB 69
1112 1.272 HB2 69
1113 1.573 HB3 69
1114 0 QB 69
1115 23.650 CG 69
1116 1.336 HG2 69
1117 1.662 HG3 69
1118 0 QG 69
1119 27.100 CD 69
1120 1.511 HD2 69
1121 1.511 HD3 69
1122 0 QD 69
1123 42.662 CE 69
1124 2.870 HE2 69
1125 2.870 HE3 69
1126 0 QE 69
1127 0 NZ 69
1128 0 HZ1 69
1129 0 HZ2 69
1130 0 HZ3 69
1131 0 QZ 69
1132 0 C 69
1133 115.800 N 70
1134 7.600 H 70
1135 59.872 CA 70
1136 4.088 HA 70
1137 38.907 CB 70
1138 2.989 HB2 70
1139 3.220 HB3 70
1140 0 QB 70
1141 0 CG 70
1142 0 CD1 70
1143 7.134 HD1 70
1144 0 CD2 70
1145 7.134 HD2 70
1146 0 QD 70
1147 0 CE1 70
1148 6.478 HE1 70
1149 0 CE2 70
1150 6.478 HE2 70
1151 0 QE 70
1152 0 QR 70
1153 0 CZ 70
1154 0 HZ 70
1155 0 C 70
1156 119.400 N 71
1157 7.597 H 71
1158 56.908 CA 71
1159 4.313 HA 71
1160 32.600 CB 71
1161 1.825 HB2 71
1162 1.915 HB3 71
1163 0 QB 71
1164 33.600 CG 71
1165 2.380 HG2 71
1166 2.430 HG3 71
1167 0 QG 71
1168 0 CD 71
1169 112.800 NE2 71
1170 8.060 HE21 71
1171 6.737 HE22 71
1172 0 QE2 71
1173 0 C 71
1174 121.700 N 72
1175 8.820 H 72
1176 62.095 CA 72
1177 4.342 HA 72
1178 63.196 CB 72
1179 3.883 HB2 72
1180 3.883 HB3 72
1181 0 QB 72
1182 0 HG 72
1183 0 C 72
1184 117.900 N 73
1185 8.114 H 73
1186 53.600 CA 73
1187 4.656 HA 73
1188 39.792 CB 73
1189 2.605 HB2 73
1190 2.875 HB3 73
1191 0 QB 73
1192 0 CG 73
1193 0 HD2 73
1194 0 C 73
1195 121.800 N 74
1196 7.690 H 74
1197 52.008 CA 74
1198 4.241 HA 74
1199 21.400 CB 74
1200 1.378 HB1 74
1201 1.378 HB2 74
1202 1.378 HB3 74
1203 0 QB 74
1204 0 C 74
1205 117.200 N 75
1206 8.355 H 75
1207 54.935 CA 75
1208 4.439 HA 75
1209 30.200 CB 75
1210 1.849 HB2 75
1211 1.950 HB3 75
1212 0 QB 75
1213 27.000 CG 75
1214 1.236 HG2 75
1215 1.448 HG3 75
1216 0 QG 75
1217 43.010 CD 75
1218 3.003 HD2 75
1219 3.263 HD3 75
1220 0 QD 75
1221 120.100 NE 75
1222 6.560 HE 75
1223 0 CZ 75
1224 0 NH1 75
1225 0 NH2 75
1226 0 HH21 75
1227 0 HH22 75
1228 0 QHZ 75
1229 0 C 75
1230 116.600 N 76
1231 8.298 H 76
1232 56.192 CA 76
1233 4.137 HA 76
1234 31.080 CB 76
1235 1.733 HB2 76
1236 1.845 HB3 76
1237 0 QB 76
1238 36.825 CG 76
1239 2.096 HG2 76
1240 2.352 HG3 76
1241 0 QG 76
1242 0 CD 76
1243 0 HE2 76
1244 0 C 76
1245 121.900 N 77
1246 8.510 H 77
1247 54.158 CA 77
1248 4.520 HA 77
1249 42.933 CB 77
1250 1.401 HB2 77
1251 1.640 HB3 77
1252 0 QB 77
1253 27.000 CG 77
1254 1.540 HG 77
1255 0 QD1 77
1256 0 QD2 77
1257 26.100 CD1 77
1258 0.264 HD11 77
1259 0.264 HD12 77
1260 0.264 HD13 77
1261 0.131 HD21 77
1262 0.131 HD22 77
1263 0.131 HD23 77
1264 22.400 CD2 77
1265 0 QQD 77
1266 0 C 77
1267 113.900 N 78
1268 9.840 H 78
1269 60.476 CA 78
1270 4.340 HA 78
1271 70.963 CB 78
1272 4.824 HB 78
1273 21.800 CG2 78
1274 1.310 HG21 78
1275 1.310 HG22 78
1276 1.310 HG23 78
1277 0 QG2 78
1278 0 C 78
1279 121.400 N 79
1280 9.073 H 79
1281 59.893 CA 79
1282 4.094 HA 79
1283 29.188 CB 79
1284 2.048 HB2 79
1285 2.048 HB3 79
1286 0 QB 79
1287 36.584 CG 79
1288 2.260 HG2 79
1289 2.350 HG3 79
1290 0 QG 79
1291 0 CD 79
1292 0 HE2 79
1293 0 C 79
1294 115.200 N 80
1295 8.596 H 80
1296 61.800 CA 80
1297 4.204 HA 80
1298 62.544 CB 80
1299 3.896 HB2 80
1300 3.896 HB3 80
1301 0 QB 80
1302 0 HG 80
1303 0 C 80
1304 123.500 N 81
1305 7.754 H 81
1306 58.739 CA 81
1307 4.200 HA 81
1308 31.280 CB 81
1309 1.854 HB2 81
1310 2.556 HB3 81
1311 0 QB 81
1312 38.485 CG 81
1313 2.831 HG2 81
1314 2.551 HG3 81
1315 0 QG 81
1316 0 CD 81
1317 0 HE2 81
1318 0 C 81
1319 114.500 N 82
1320 8.878 H 82
1321 67.300 CA 82
1322 3.633 HA 82
1323 67.900 CB 82
1324 4.114 HB 82
1325 22.500 CG2 82
1326 1.001 HG21 82
1327 1.001 HG22 82
1328 1.001 HG23 82
1329 0 QG2 82
1330 0 C 82
1331 123.200 N 83
1332 7.840 H 83
1333 59.417 CA 83
1334 4.007 HA 83
1335 31.775 CB 83
1336 1.955 HB2 83
1337 1.955 HB3 83
1338 0 QB 83
1339 24.939 CG 83
1340 1.418 HG2 83
1341 1.474 HG3 83
1342 0 QG 83
1343 28.900 CD 83
1344 1.708 HD2 83
1345 1.708 HD3 83
1346 0 QD 83
1347 42.394 CE 83
1348 2.996 HE2 83
1349 2.996 HE3 83
1350 0 QE 83
1351 0 NZ 83
1352 0 HZ1 83
1353 0 HZ2 83
1354 0 HZ3 83
1355 0 QZ 83
1356 0 C 83
1357 114.800 N 84
1358 7.806 H 84
1359 61.648 CA 84
1360 4.289 HA 84
1361 62.716 CB 84
1362 3.961 HB2 84
1363 4.008 HB3 84
1364 0 QB 84
1365 0 HG 84
1366 0 C 84
1367 123.600 N 85
1368 7.548 H 85
1369 58.300 CA 85
1370 4.035 HA 85
1371 42.569 CB 85
1372 1.588 HB2 85
1373 1.691 HB3 85
1374 0 QB 85
1375 27.450 CG 85
1376 1.451 HG 85
1377 0 QD1 85
1378 0 QD2 85
1379 24.500 CD1 85
1380 0.486 HD11 85
1381 0.486 HD12 85
1382 0.486 HD13 85
1383 0.400 HD21 85
1384 0.400 HD22 85
1385 0.400 HD23 85
1386 24.820 CD2 85
1387 0 QQD 85
1388 0 C 85
1389 117.200 N 86
1390 7.847 H 86
1391 58.292 CA 86
1392 4.057 HA 86
1393 32.300 CB 86
1394 2.101 HB2 86
1395 2.160 HB3 86
1396 0 QB 86
1397 32.600 CG 86
1398 2.459 HG2 86
1399 2.600 HG3 86
1400 0 QG 86
1401 17.070 CE 86
1402 1.934 HE1 86
1403 1.934 HE2 86
1404 1.934 HE3 86
1405 0 QE 86
1406 0 C 86
1407 118.800 N 87
1408 8.837 H 87
1409 56.362 CA 87
1410 4.411 HA 87
1411 40.500 CB 87
1412 2.671 HB2 87
1413 2.671 HB3 87
1414 0 QB 87
1415 0 CG 87
1416 0 HD2 87
1417 0 C 87
1418 121.300 N 88
1419 7.537 H 88
1420 53.508 CA 88
1421 4.227 HA 88
1422 18.117 CB 88
1423 1.582 HB1 88
1424 1.582 HB2 88
1425 1.582 HB3 88
1426 0 QB 88
1427 0 C 88
1428 119.800 N 89
1429 7.549 H 89
1430 52.262 CA 89
1431 4.330 HA 89
1432 20.406 CB 89
1433 1.460 HB1 89
1434 1.460 HB2 89
1435 1.460 HB3 89
1436 0 QB 89
1437 0 C 89
1438 118.600 N 90
1439 8.248 H 90
1440 54.000 CA 90
1441 4.580 HA 90
1442 39.902 CB 90
1443 2.536 HB2 90
1444 2.904 HB3 90
1445 0 QB 90
1446 0 CG 90
1447 0 HD2 90
1448 0 C 90
1449 120.000 N 91
1450 8.384 H 91
1451 53.600 CA 91
1452 4.718 HA 91
1453 39.682 CB 91
1454 2.656 HB2 91
1455 2.990 HB3 91
1456 0 QB 91
1457 0 CG 91
1458 113.100 ND2 91
1459 7.703 HD21 91
1460 6.878 HD22 91
1461 0 QD2 91
1462 0 C 91
1463 119.700 N 92
1464 8.695 H 92
1465 54.800 CA 92
1466 4.544 HA 92
1467 40.499 CB 92
1468 2.670 HB2 92
1469 2.770 HB3 92
1470 0 QB 92
1471 0 CG 92
1472 0 HD2 92
1473 0 C 92
1474 108.100 N 93
1475 8.231 H 93
1476 46.105 CA 93
1477 3.890 HA2 93
1478 4.002 HA3 93
1479 0 QA 93
1480 0 C 93
1481 120.200 N 94
1482 8.185 H 94
1483 54.019 CA 94
1484 4.511 HA 94
1485 40.710 CB 94
1486 2.605 HB2 94
1487 2.772 HB3 94
1488 0 QB 94
1489 0 CG 94
1490 0 HD2 94
1491 0 C 94
1492 109.200 N 95
1493 8.752 H 95
1494 46.120 CA 95
1495 3.765 HA2 95
1496 3.932 HA3 95
1497 0 QA 95
1498 0 C 95
1499 117.300 N 96
1500 7.701 H 96
1501 54.870 CA 96
1502 4.818 HA 96
1503 35.169 CB 96
1504 1.468 HB2 96
1505 1.508 HB3 96
1506 0 QB 96
1507 24.216 CG 96
1508 0.982 HG2 96
1509 1.049 HG3 96
1510 0 QG 96
1511 29.169 CD 96
1512 2.426 HD2 96
1513 2.426 HD3 96
1514 0 QD 96
1515 41.912 CE 96
1516 3.510 HE2 96
1517 3.510 HE3 96
1518 0 QE 96
1519 0 NZ 96
1520 0 HZ1 96
1521 0 HZ2 96
1522 0 HZ3 96
1523 0 QZ 96
1524 0 C 96
1525 121.000 N 97
1526 8.861 H 97
1527 61.410 CA 97
1528 4.369 HA 97
1529 40.272 CB 97
1530 1.967 HB 97
1531 17.820 CG2 97
1532 1.107 HG21 97
1533 1.107 HG22 97
1534 1.107 HG23 97
1535 0 QG2 97
1536 26.800 CG1 97
1537 1.656 HG12 97
1538 0.950 HG13 97
1539 0 QG1 97
1540 14.200 CD1 97
1541 0.823 HD11 97
1542 0.823 HD12 97
1543 0.823 HD13 97
1544 0 QD1 97
1545 0 C 97
1546 115.900 N 98
1547 8.700 H 98
1548 44.227 CA 98
1549 3.771 HA2 98
1550 4.790 HA3 98
1551 0 QA 98
1552 0 C 98
1553 122.600 N 99
1554 7.984 H 99
1555 55.489 CA 99
1556 2.513 HA 99
1557 18.513 CB 99
1558 0.948 HB1 99
1559 0.948 HB2 99
1560 0.948 HB3 99
1561 0 QB 99
1562 0 C 99
1563 116.800 N 100
1564 8.480 H 100
1565 57.305 CA 100
1566 4.285 HA 100
1567 39.627 CB 100
1568 2.607 HB2 100
1569 2.513 HB3 100
1570 0 QB 100
1571 0 CG 100
1572 0 HD2 100
1573 0 C 100
1574 120.900 N 101
1575 7.945 H 101
1576 59.892 CA 101
1577 4.085 HA 101
1578 29.154 CB 101
1579 2.033 HB2 101
1580 2.424 HB3 101
1581 0 QB 101
1582 37.670 CG 101
1583 2.346 HG2 101
1584 2.667 HG3 101
1585 0 QG 101
1586 0 CD 101
1587 0 HE2 101
1588 0 C 101
1589 121.800 N 102
1590 8.736 H 102
1591 61.396 CA 102
1592 4.149 HA 102
1593 40.056 CB 102
1594 2.960 HB2 102
1595 2.960 HB3 102
1596 0 QB 102
1597 0 CG 102
1598 0 CD1 102
1599 7.182 HD1 102
1600 0 CD2 102
1601 7.182 HD2 102
1602 0 QD 102
1603 130.700 CE1 102
1604 7.298 HE1 102
1605 130.700 CE2 102
1606 7.298 HE2 102
1607 0 QE 102
1608 0 QR 102
1609 0 CZ 102
1610 0 HZ 102
1611 0 C 102
1612 116.700 N 103
1613 7.936 H 103
1614 59.256 CA 103
1615 3.706 HA 103
1616 27.740 CB 103
1617 2.124 HB2 103
1618 2.246 HB3 103
1619 0 QB 103
1620 33.787 CG 103
1621 2.302 HG2 103
1622 2.420 HG3 103
1623 0 QG 103
1624 0 CD 103
1625 110.300 NE2 103
1626 7.522 HE21 103
1627 6.866 HE22 103
1628 0 QE2 103
1629 0 C 103
1630 116.900 N 104
1631 7.529 H 104
1632 58.505 CA 104
1633 3.996 HA 104
1634 29.192 CB 104
1635 2.048 HB2 104
1636 2.048 HB3 104
1637 0 QB 104
1638 35.460 CG 104
1639 2.370 HG2 104
1640 2.316 HG3 104
1641 0 QG 104
1642 0 CD 104
1643 0 HE2 104
1644 0 C 104
1645 118.600 N 105
1646 8.040 H 105
1647 58.523 CA 105
1648 4.089 HA 105
1649 32.939 CB 105
1650 2.038 HB2 105
1651 2.038 HB3 105
1652 0 QB 105
1653 30.614 CG 105
1654 2.228    0.04 105 
1655 2.515 HG3 105
1656 0 QG 105
1657 16.750 CE 105
1658 1.975 HE1 105
1659 1.975 HE2 105
1660 1.975 HE3 105
1661 0 QE 105
1662 0 C 105
1663 113.000 N 106
1664 7.167 H 106
1665 63.297 CA 106
1666 3.099 HA 106
1667 30.885 CB 106
1668 1.323 HB 106
1669 0 QG1 106
1670 0 QG2 106
1671 19.510 CG1 106
1672 -0.110 HG11 106
1673 -0.110 HG12 106
1674 -0.110 HG13 106
1675 -0.320 HG21 106
1676 -0.320 HG22 106
1677 -0.320 HG23 106
1678 21.090 CG2 106
1679 0 QQG 106
1680 0 C 106
1681 116.600 N 107
1682 7.065 H 107
1683 55.177 CA 107
1684 4.814 HA 107
1685 29.285 CB 107
1686 3.065 HB2 107
1687 3.424 HB3 107
1688 0 QB 107
1689 0 CG 107
1690 120.000 CD2 107
1691 7.427 HD2 107
1692 0 ND1 107
1693 0 HD1 107
1694 0 CE1 107
1695 0 HE1 107
1696 0 NE2 107
1697 0 HE2 107
1698 0 C 107
1699 122.200 N 108
1700 7.596 H 108
1701 60.780 CA 108
1702 4.250 HA 108
1703 64.877 CB 108
1704 3.938 HB2 108
1705 3.938 HB3 108
1706 0 QB 108
1707 0 HG 108
1708 0 C 108

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