NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
473380 2jww 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 0 CA 1
4 0 HA 1
5 0 CB 1
6 0 HB2 1
7 0 HB3 1
8 0 QB 1
9 0 HG 1
10 178.2 C 1
11 0 N 2
12 0 H 2
13 57.6 CA 2
14 4.426 HA 2
15 31.9 CB 2
16 2.13 HB2 2
17 2.21 HB3 2
18 0 QB 2
19 32.4 CG 2
20 2.62 HG2 2
21 2.51 HG3 2
22 0 QG 2
23 0 CE 2
24 0 HE1 2
25 0 HE2 2
26 0 HE3 2
27 0 QE 2
28 178.2 C 2
29 106.6 N 3
30 7.791 H 3
31 62.927 CA 3
32 4.908 HA 3
33 67.923 CB 3
34 4.59 HB 3
35 22.4 CG2 3
36 1.293 HG21 3
37 1.293 HG22 3
38 1.293 HG23 3
39 0 QG2 3
40 175.3 C 3
41 119 N 4
42 7.618 H 4
43 55.85 CA 4
44 4.648 HA 4
45 41.2 CB 4
46 2.77 HB2 4
47 2.77 HB3 4
48 0 QB 4
49 0 CG 4
50 0 HD2 4
51 176.3 C 4
52 119.2 N 5
53 7.46 H 5
54 56.3 CA 5
55 4.367 HA 5
56 45.37 CB 5
57 1.837 HB2 5
58 1.273 HB3 5
59 0 QB 5
60 27.34 CG 5
61 1.57 HG 5
62 0 QD1 5
63 0 QD2 5
64 26.5 CD1 5
65 0.86 HD11 5
66 0.86 HD12 5
67 0.86 HD13 5
68 23.6 CD2 5
69 0.835 HD21 5
70 0.835 HD22 5
71 0.835 HD23 5
72 0 QQD 5
73 175.4 C 5
74 118.33 N 6
75 7.93 H 6
76 52.3 CA 6
77 4.721 HA 6
78 45.1 CB 6
79 1.616 HB2 6
80 1.616 HB3 6
81 0 QB 6
82 27 CG 6
83 1.59 HG 6
84 0 QD1 6
85 0 QD2 6
86 27.18 CD1 6
87 1.21 HD11 6
88 1.21 HD12 6
89 1.21 HD13 6
90 22.5 CD2 6
91 0.921 HD21 6
92 0.921 HD22 6
93 0.921 HD23 6
94 0 QQD 6
95 175.1 C 6
96 113.7 N 7
97 8.446 H 7
98 57.3 CA 7
99 4.554 HA 7
100 63.7 CB 7
101 4.119 HB2 7
102 3.941 HB3 7
103 0 QB 7
104 0 HG 7
105 176.7 C 7
106 130.285 N 8
107 9.268 H 8
108 55.571 CA 8
109 4.017 HA 8
110 18.5 CB 8
111 1.554 HB1 8
112 1.554 HB2 8
113 1.554 HB3 8
114 0 QB 8
115 180.2 C 8
116 117.7 N 9
117 8.443 H 9
118 59.2 CA 9
119 4.064 HA 9
120 29.37 CB 9
121 1.977 HB2 9
122 1.977 HB3 9
123 0 QB 9
124 36.23 CG 9
125 2.314 HG2 9
126 2.314 HG3 9
127 0 QG 9
128 0 CD 9
129 0 HE2 9
130 178.8 C 9
131 121.3 N 10
132 7.341 H 10
133 57.1 CA 10
134 4.459 HA 10
135 39.5 CB 10
136 2.886 HB2 10
137 2.886 HB3 10
138 0 QB 10
139 0 CG 10
140 0 HD2 10
141 178.7 C 10
142 119.9 N 11
143 8.313 H 11
144 66.621 CA 11
145 3.603 HA 11
146 38.817 CB 11
147 1.947 HB 11
148 18.5 CG2 11
149 1.01 HG21 11
150 1.01 HG22 11
151 1.01 HG23 11
152 0 QG2 11
153 30.1 CG1 11
154 0.87 HG12 11
155 0.87 HG13 11
156 0 QG1 11
157 14.2 CD1 11
158 0.97 HD11 11
159 0.97 HD12 11
160 0.97 HD13 11
161 0 QD1 11
162 176.6 C 11
163 118.4 N 12
164 7.94 H 12
165 59.9 CA 12
166 3.961 HA 12
167 32.5 CB 12
168 1.91 HB2 12
169 1.91 HB3 12
170 0 QB 12
171 25.1 CG 12
172 1.4 HG2 12
173 1.54 HG3 12
174 0 QG 12
175 29.6 CD 12
176 1.68 HD2 12
177 1.68 HD3 12
178 0 QD 12
179 42.1 CE 12
180 2.94 HE2 12
181 2.94 HE3 12
182 0 QE 12
183 0 NZ 12
184 0 HZ1 12
185 0 HZ2 12
186 0 HZ3 12
187 0 QZ 12
188 180.2 C 12
189 119.4 N 13
190 7.767 H 13
191 59.4 CA 13
192 3.95 HA 13
193 32.7 CB 13
194 1.91 HB2 13
195 1.91 HB3 13
196 0 QB 13
197 24.8 CG 13
198 1.39 HG2 13
199 1.55 HG3 13
200 0 QG 13
201 29.3 CD 13
202 1.68 HD2 13
203 1.68 HD3 13
204 0 QD 13
205 42.4 CE 13
206 2.93 HE2 13
207 2.93 HE3 13
208 0 QE 13
209 0 NZ 13
210 0 HZ1 13
211 0 HZ2 13
212 0 HZ3 13
213 0 QZ 13
214 178.6 C 13
215 122.1 N 14
216 8.35 H 14
217 54.9 CA 14
218 4.237 HA 14
219 19.9 CB 14
220 1.282 HB1 14
221 1.282 HB2 14
222 1.282 HB3 14
223 0 QB 14
224 178.8 C 14
225 114.7 N 15
226 8.714 H 15
227 64 CA 15
228 3.958 HA 15
229 36.9 CB 15
230 2.153 HB 15
231 17.5 CG2 15
232 0.98 HG21 15
233 0.98 HG22 15
234 0.98 HG23 15
235 0 QG2 15
236 28.7 CG1 15
237 1.779 HG12 15
238 1.654 HG13 15
239 0 QG1 15
240 13.1 CD1 15
241 0.97 HD11 15
242 0.97 HD12 15
243 0.97 HD13 15
244 0 QD1 15
245 180.4 C 15
246 106.9 N 16
247 7.943 H 16
248 46.34 CA 16
249 3.92 HA2 16
250 3.818 HA3 16
251 0 QA 16
252 174.7 C 16
253 121.2 N 17
254 7.262 H 17
255 53 CA 17
256 4.081 HA 17
257 18.1 CB 17
258 0.861 HB1 17
259 0.861 HB2 17
260 0.861 HB3 17
261 0 QB 17
262 178.1 C 17
263 115.5 N 18
264 7.362 H 18
265 56.3 CA 18
266 5.298 HA 18
267 39.2 CB 18
268 3.595 HB2 18
269 2.598 HB3 18
270 0 QB 18
271 0 CG 18
272 0 CD1 18
273 7.62 HD1 18
274 0 CD2 18
275 7.62 HD2 18
276 0 QD 18
277 0 CE1 18
278 7.35 HE1 18
279 0 CE2 18
280 7.35 HE2 18
281 0 QE 18
282 0 QR 18
283 0 CZ 18
284 0 HZ 18
285 176.4 C 18
286 114.7 N 19
287 7.504 H 19
288 65.12 CA 19
289 3.95 HA 19
290 68.8 CB 19
291 4.22 HB 19
292 21.9 CG2 19
293 1.335 HG21 19
294 1.335 HG22 19
295 1.335 HG23 19
296 0 QG2 19
297 175.4 C 19
298 123 N 20
299 8.226 H 20
300 51.9 CA 20
301 4.284 HA 20
302 18.8 CB 20
303 1.37 HB1 20
304 1.37 HB2 20
305 1.37 HB3 20
306 0 QB 20
307 178.2 C 20
308 125.5 N 21
309 8.665 H 21
310 53.3 CA 21
311 4.054 HA 21
312 18.8 CB 21
313 1.365 HB1 21
314 1.365 HB2 21
315 1.365 HB3 21
316 0 QB 21
317 177.9 C 21
318 116.9 N 22
319 8.704 H 22
320 56.7 CA 22
321 4.366 HA 22
322 39.3 CB 22
323 2.66 HB2 22
324 2.66 HB3 22
325 0 QB 22
326 0 CG 22
327 0 HD2 22
328 175.5 C 22
329 111.4 N 23
330 7.598 H 23
331 58.9 CA 23
332 4.389 HA 23
333 65.6 CB 23
334 4.25 HB2 23
335 3.673 HB3 23
336 0 QB 23
337 0 HG 23
338 176.3 C 23
339 124.1 N 24
340 9.603 H 24
341 61.6 CA 24
342 3.56 HA 24
343 39 CB 24
344 2.92 HB2 24
345 2.92 HB3 24
346 0 QB 24
347 0 CG 24
348 0 CD1 24
349 7.58 HD1 24
350 0 CD2 24
351 7.58 HD2 24
352 0 QD 24
353 0 CE1 24
354 7.35 HE1 24
355 0 CE2 24
356 7.35 HE2 24
357 0 QE 24
358 0 QR 24
359 0 CZ 24
360 0 HZ 24
361 173.7 C 24
362 0 N 25
363 0 H 25
364 51.9 CA 25
365 4.426 HA 25
366 42.82 CB 25
367 2.522 HB2 25
368 2.522 HB3 25
369 0 QB 25
370 0 CG 25
371 0 HD2 25
372 175.5 C 25
373 122.6 N 26
374 8.59 H 26
375 59.5 CA 26
376 3.095 HA 26
377 29.3 CB 26
378 2.684 HB2 26
379 2.491 HB3 26
380 0 QB 26
381 0 CG 26
382 0 CD2 26
383 0 HD2 26
384 0 ND1 26
385 0 HD1 26
386 0 CE1 26
387 0 HE1 26
388 0 NE2 26
389 0 HE2 26
390 174.5 C 26
391 120.9 N 27
392 6.876 H 27
393 59.1 CA 27
394 3.963 HA 27
395 31.3 CB 27
396 1.776 HB2 27
397 1.647 HB3 27
398 0 QB 27
399 25.5 CG 27
400 0.76 HG2 27
401 0.76 HG3 27
402 0 QG 27
403 29.3 CD 27
404 1.15 HD2 27
405 1.15 HD3 27
406 0 QD 27
407 42.27 CE 27
408 2.96 HE2 27
409 2.96 HE3 27
410 0 QE 27
411 0 NZ 27
412 0 HZ1 27
413 0 HZ2 27
414 0 HZ3 27
415 0 QZ 27
416 178.9 C 27
417 118.6 N 28
418 7.001 H 28
419 58.71 CA 28
420 4.002 HA 28
421 33.19 CB 28
422 1.829 HB2 28
423 1.829 HB3 28
424 0 QB 28
425 25.61 CG 28
426 1.543 HG2 28
427 1.405 HG3 28
428 0 QG 28
429 29.66 CD 28
430 1.72 HD2 28
431 1.72 HD3 28
432 0 QD 28
433 42.4 CE 28
434 2.94 HE2 28
435 2.94 HE3 28
436 0 QE 28
437 0 NZ 28
438 0 HZ1 28
439 0 HZ2 28
440 0 HZ3 28
441 0 QZ 28
442 178.6 C 28
443 119.1 N 29
444 8.27 H 29
445 62.94 CA 29
446 4.013 HA 29
447 39.5 CB 29
448 2.48 HB2 29
449 2.24 HB3 29
450 0 QB 29
451 0 CG 29
452 0 CD1 29
453 6.84 HD1 29
454 0 CD2 29
455 6.84 HD2 29
456 0 QD 29
457 0 CE1 29
458 6.58 HE1 29
459 0 CE2 29
460 6.58 HE2 29
461 0 QE 29
462 0 QR 29
463 0 CZ 29
464 0 HZ 29
465 176.3 C 29
466 116.28 N 30
467 8.694 H 30
468 58.6 CA 30
469 4.367 HA 30
470 36.8 CB 30
471 3.4 HB2 30
472 2.97 HB3 30
473 0 QB 30
474 0 CG 30
475 0 CD1 30
476 7.36 HD1 30
477 0 CD2 30
478 7.36 HD2 30
479 0 QD 30
480 0 CE1 30
481 7.14 HE1 30
482 0 CE2 30
483 7.14 HE2 30
484 0 QE 30
485 0 QR 30
486 0 CZ 30
487 0 HZ 30
488 178.7 C 30
489 118 N 31
490 7.765 H 31
491 59.2 CA 31
492 4.046 HA 31
493 28.2 CB 31
494 2.231 HB2 31
495 2.231 HB3 31
496 0 QB 31
497 33.2 CG 31
498 2.32 HG2 31
499 2.52 HG3 31
500 0 QG 31
501 0 CD 31
502 111.86 NE2 31
503 6.69 HE21 31
504 7.72 HE22 31
505 0 QE2 31
506 179.3 C 31
507 119.7 N 32
508 8.698 H 32
509 59.5 CA 32
510 3.931 HA 32
511 28.23 CB 32
512 1.99 HB2 32
513 1.88 HB3 32
514 0 QB 32
515 32.8 CG 32
516 2.4 HG2 32
517 2.91 HG3 32
518 0 QG 32
519 0 CE 32
520 0 HE1 32
521 0 HE2 32
522 0 HE3 32
523 0 QE 32
524 178.1 C 32
525 114.3 N 33
526 8.282 H 33
527 62.42 CA 33
528 3.766 HA 33
529 31.8 CB 33
530 1.384 HB 33
531 0 QG1 33
532 0 QG2 33
533 23.7 CG1 33
534 0.91 HG11 33
535 0.91 HG12 33
536 0.91 HG13 33
537 21.2 CG2 33
538 0.63 HG21 33
539 0.63 HG22 33
540 0.63 HG23 33
541 0 QQG 33
542 174.6 C 33
543 105 N 34
544 7.172 H 34
545 45.67 CA 34
546 4.33 HA2 34
547 3.916 HA3 34
548 0 QA 34
549 176.6 C 34
550 119.6 N 35
551 7.402 H 35
552 56.9 CA 35
553 4.004 HA 35
554 43.2 CB 35
555 1.54 HB2 35
556 1.54 HB3 35
557 0 QB 35
558 28.1 CG 35
559 1.75 HG 35
560 0 QD1 35
561 0 QD2 35
562 25.7 CD1 35
563 1.08 HD11 35
564 1.08 HD12 35
565 1.08 HD13 35
566 26.2 CD2 35
567 0.97 HD21 35
568 0.97 HD22 35
569 0.97 HD23 35
570 0 QQD 35
571 177.3 C 35
572 115.35 N 36
573 7.997 H 36
574 57.33 CA 36
575 3.93 HA 36
576 30.6 CB 36
577 1.921 HB2 36
578 1.744 HB3 36
579 0 QB 36
580 25 CG 36
581 1.376 HG2 36
582 1.376 HG3 36
583 0 QG 36
584 28.1 CD 36
585 1.62 HD2 36
586 1.74 HD3 36
587 0 QD 36
588 41.81 CE 36
589 2.95 HE2 36
590 3.05 HE3 36
591 0 QE 36
592 0 NZ 36
593 0 HZ1 36
594 0 HZ2 36
595 0 HZ3 36
596 0 QZ 36
597 176.7 C 36
598 114.6 N 37
599 7.033 H 37
600 55.6 CA 37
601 4.383 HA 37
602 32.6 CB 37
603 2.01 HB2 37
604 1.74 HB3 37
605 0 QB 37
606 25.16 CG 37
607 1.38 HG2 37
608 1.38 HG3 37
609 0 QG 37
610 29.47 CD 37
611 1.68 HD2 37
612 1.68 HD3 37
613 0 QD 37
614 42.52 CE 37
615 2.98 HE2 37
616 2.98 HE3 37
617 0 QE 37
618 0 NZ 37
619 0 HZ1 37
620 0 HZ2 37
621 0 HZ3 37
622 0 QZ 37
623 176.6 C 37
624 117.3 N 38
625 6.908 H 38
626 53.1 CA 38
627 4.612 HA 38
628 32.73 CB 38
629 2.039 HB2 38
630 2.039 HB3 38
631 0 QB 38
632 24.5 CG 38
633 1.3 HG2 38
634 1.3 HG3 38
635 0 QG 38
636 27.34 CD 38
637 1.772 HD2 38
638 1.772 HD3 38
639 0 QD 38
640 42.5 CE 38
641 2.87 HE2 38
642 3.12 HE3 38
643 0 QE 38
644 0 NZ 38
645 0 HZ1 38
646 0 HZ2 38
647 0 HZ3 38
648 0 QZ 38
649 176.3 C 38
650 118 N 39
651 9.32 H 39
652 57.3 CA 39
653 4.37 HA 39
654 64.9 CB 39
655 4.09 HB2 39
656 4.32 HB3 39
657 0 QB 39
658 0 HG 39
659 174.3 C 39
660 123.6 N 40
661 8.832 H 40
662 55.53 CA 40
663 4.044 HA 40
664 18.1 CB 40
665 1.443 HB1 40
666 1.443 HB2 40
667 1.443 HB3 40
668 0 QB 40
669 180.7 C 40
670 116.3 N 41
671 8.301 H 41
672 57.4 CA 41
673 4.34 HA 41
674 40.6 CB 41
675 2.563 HB2 41
676 2.563 HB3 41
677 0 QB 41
678 0 CG 41
679 0 HD2 41
680 175 C 41
681 122.2 N 42
682 7.774 H 42
683 57.42 CA 42
684 4.56 HA 42
685 40.71 CB 42
686 2.96 HB2 42
687 2.96 HB3 42
688 0 QB 42
689 0 CG 42
690 0 HD2 42
691 178.6 C 42
692 122.1 N 43
693 8.35 H 43
694 67.9 CA 43
695 3.45 HA 43
696 31.3 CB 43
697 2.245 HB 43
698 0 QG1 43
699 0 QG2 43
700 22.3 CG1 43
701 0.97 HG11 43
702 0.97 HG12 43
703 0.97 HG13 43
704 23.9 CG2 43
705 0.976 HG21 43
706 0.976 HG22 43
707 0.976 HG23 43
708 0 QQG 43
709 178.6 C 43
710 118.1 N 44
711 7.64 H 44
712 60.1 CA 44
713 3.87 HA 44
714 31.9 CB 44
715 1.99 HB2 44
716 1.81 HB3 44
717 0 QB 44
718 26.2 CG 44
719 1.15 HG2 44
720 1.15 HG3 44
721 0 QG 44
722 29.9 CD 44
723 1.68 HD2 44
724 1.68 HD3 44
725 0 QD 44
726 42.57 CE 44
727 2.84 HE2 44
728 2.84 HE3 44
729 0 QE 44
730 0 NZ 44
731 0 HZ1 44
732 0 HZ2 44
733 0 HZ3 44
734 0 QZ 44
735 178.4 C 44
736 118.8 N 45
737 7.566 H 45
738 60.6 CA 45
739 4.03 HA 45
740 33 CB 45
741 2.203 HB2 45
742 1.86 HB3 45
743 0 QB 45
744 26.6 CG 45
745 1.42 HG2 45
746 1.42 HG3 45
747 0 QG 45
748 30.18 CD 45
749 1.73 HD2 45
750 1.73 HD3 45
751 0 QD 45
752 42.9 CE 45
753 2.91 HE2 45
754 2.96 HE3 45
755 0 QE 45
756 0 NZ 45
757 0 HZ1 45
758 0 HZ2 45
759 0 HZ3 45
760 0 QZ 45
761 179.8 C 45
762 120.9 N 46
763 7.864 H 46
764 66.8 CA 46
765 3.367 HA 46
766 31.2 CB 46
767 2.59 HB 46
768 0 QG1 46
769 0 QG2 46
770 21 CG1 46
771 0.96 HG11 46
772 0.96 HG12 46
773 0.96 HG13 46
774 23.1 CG2 46
775 1.16 HG21 46
776 1.16 HG22 46
777 1.16 HG23 46
778 0 QQG 46
779 177.1 C 46
780 119.6 N 47
781 8.004 H 47
782 62 CA 47
783 2.925 HA 47
784 38 CB 47
785 3.13 HB2 47
786 2.69 HB3 47
787 0 QB 47
788 0 CG 47
789 0 CD1 47
790 6.195 HD1 47
791 0 CD2 47
792 6.195 HD2 47
793 0 QD 47
794 0 CE1 47
795 6.85 HE1 47
796 0 CE2 47
797 6.85 HE2 47
798 0 QE 47
799 0 QR 47
800 0 CZ 47
801 0 HZ 47
802 175.8 C 47
803 113.45 N 48
804 7.862 H 48
805 58.8 CA 48
806 4.137 HA 48
807 28.7 CB 48
808 3.219 HB2 48
809 3.219 HB3 48
810 0 QB 48
811 0 CG 48
812 0 CD2 48
813 0 HD2 48
814 0 ND1 48
815 0 HD1 48
816 0 CE1 48
817 0 HE1 48
818 0 NE2 48
819 0 HE2 48
820 176.5 C 48
821 118.2 N 49
822 7.233 H 49
823 64.3 CA 49
824 3.508 HA 49
825 38 CB 49
826 1.753 HB 49
827 17.4 CG2 49
828 0.71 HG21 49
829 0.71 HG22 49
830 0.71 HG23 49
831 0 QG2 49
832 29.2 CG1 49
833 1.73 HG12 49
834 0.94 HG13 49
835 0 QG1 49
836 13.7 CD1 49
837 0.72 HD11 49
838 0.72 HD12 49
839 0.72 HD13 49
840 0 QD1 49
841 177.5 C 49
842 118.7 N 50
843 7.049 H 50
844 55.7 CA 50
845 3.692 HA 50
846 41.3 CB 50
847 1.34 HB2 50
848 0.98 HB3 50
849 0 QB 50
850 25.7 CG 50
851 1.57 HG 50
852 0 QD1 50
853 0 QD2 50
854 25.7 CD1 50
855 0.59 HD11 50
856 0.59 HD12 50
857 0.59 HD13 50
858 21.9 CD2 50
859 0.51 HD21 50
860 0.51 HD22 50
861 0.51 HD23 50
862 0 QQD 50
863 176.7 C 50
864 117.9 N 51
865 7.043 H 51
866 52 CA 51
867 4.13 HA 51
868 38.6 CB 51
869 2.421 HB2 51
870 1.42 HB3 51
871 0 QB 51
872 0 CG 51
873 0 HD2 51
874 176.7 C 51
875 125.8 N 52
876 7.39 H 52
877 59.5 CA 52
878 3.758 HA 52
879 32.3 CB 52
880 1.79 HB2 52
881 1.79 HB3 52
882 0 QB 52
883 24.6 CG 52
884 1.37 HG2 52
885 1.5 HG3 52
886 0 QG 52
887 29.31 CD 52
888 1.68 HD2 52
889 1.68 HD3 52
890 0 QD 52
891 42.14 CE 52
892 2.947 HE2 52
893 2.947 HE3 52
894 0 QE 52
895 0 NZ 52
896 0 HZ1 52
897 0 HZ2 52
898 0 HZ3 52
899 0 QZ 52
900 178.1 C 52
901 115.7 N 53
902 8.536 H 53
903 52.7 CA 53
904 4.5 HA 53
905 38.8 CB 53
906 2.99 HB2 53
907 2.62 HB3 53
908 0 QB 53
909 0 CG 53
910 0 HD2 53
911 175.8 C 53
912 116.9 N 54
913 7.749 H 54
914 56.2 CA 54
915 3.924 HA 54
916 28.4 CB 54
917 2.01 HB2 54
918 1.83 HB3 54
919 0 QB 54
920 24.4 CG 54
921 1.27 HG2 54
922 1.33 HG3 54
923 0 QG 54
924 28.2 CD 54
925 1.5 HD2 54
926 1.5 HD3 54
927 0 QD 54
928 42.95 CE 54
929 2.84 HE2 54
930 2.84 HE3 54
931 0 QE 54
932 0 NZ 54
933 0 HZ1 54
934 0 HZ2 54
935 0 HZ3 54
936 0 QZ 54
937 176.7 C 54
938 117.7 N 55
939 9.03 H 55
940 59.1 CA 55
941 4.333 HA 55
942 64.4 CB 55
943 4.07 HB2 55
944 3.806 HB3 55
945 0 QB 55
946 0 HG 55
947 176.4 C 55
948 115.9 N 56
949 10.84 H 56
950 44.6 CA 56
951 4.127 HA2 56
952 3.394 HA3 56
953 0 QA 56
954 172 C 56
955 115.7 N 57
956 7.914 H 57
957 56.2 CA 57
958 5.26 HA 57
959 43.77 CB 57
960 2.643 HB2 57
961 2.643 HB3 57
962 0 QB 57
963 0 CG 57
964 0 CD1 57
965 6.95 HD1 57
966 0 CD2 57
967 6.95 HD2 57
968 0 QD 57
969 0 CE1 57
970 7.4 HE1 57
971 0 CE2 57
972 7.4 HE2 57
973 0 QE 57
974 0 QR 57
975 0 CZ 57
976 0 HZ 57
977 173.6 C 57
978 121.2 N 58
979 9.296 H 58
980 61.1 CA 58
981 4.32 HA 58
982 38.8 CB 58
983 1.71 HB 58
984 18.1 CG2 58
985 0.79 HG21 58
986 0.79 HG22 58
987 0.79 HG23 58
988 0 QG2 58
989 26.5 CG1 58
990 1.25 HG12 58
991 1.25 HG13 58
992 0 QG1 58
993 13.9 CD1 58
994 0.307 HD11 58
995 0.307 HD12 58
996 0.305 HD13 58
997 0 QD1 58
998 176.3 C 58
999 126.7 N 59
1000 8.694 H 59
1001 55.6 CA 59
1002 4.48 HA 59
1003 30.5 CB 59
1004 2.374 HB2 59
1005 1.957 HB3 59
1006 0 QB 59
1007 36.84 CG 59
1008 2.297 HG2 59
1009 2.297 HG3 59
1010 0 QG 59
1011 0 CD 59
1012 0 HE2 59
1013 177.1 C 59
1014 122.1 N 60
1015 9.154 H 60
1016 61.3 CA 60
1017 3.651 HA 60
1018 29.6 CB 60
1019 2.027 HB2 60
1020 2.122 HB3 60
1021 0 QB 60
1022 36.3 CG 60
1023 2.12 HG2 60
1024 2.21 HG3 60
1025 0 QG 60
1026 0 CD 60
1027 0 HE2 60
1028 177.9 C 60
1029 115.3 N 61
1030 8.717 H 61
1031 56.46 CA 61
1032 4.36 HA 61
1033 39.72 CB 61
1034 2.66 HB2 61
1035 2.66 HB3 61
1036 0 QB 61
1037 0 CG 61
1038 0 HD2 61
1039 178 C 61
1040 119.3 N 62
1041 7.45 H 62
1042 57.25 CA 62
1043 4.2 HA 62
1044 32.9 CB 62
1045 1.92 HB2 62
1046 1.92 HB3 62
1047 0 QB 62
1048 0 CG 62
1049 0 HG2 62
1050 0 HG3 62
1051 0 QG 62
1052 0 CD 62
1053 0 HE2 62
1054 178.6 C 62
1055 123.3 N 63
1056 8.21 H 63
1057 57 CA 63
1058 3.9 HA 63
1059 42 CB 63
1060 1.78 HB2 63
1061 1.505 HB3 63
1062 0 QB 63
1063 32.8 CG 63
1064 0 HG 63
1065 0 QD1 63
1066 0 QD2 63
1067 23.9 CD1 63
1068 0.89 HD11 63
1069 0.89 HD12 63
1070 0.89 HD13 63
1071 26.1 CD2 63
1072 0.887 HD21 63
1073 0.887 HD22 63
1074 0.887 HD23 63
1075 0 QQD 63
1076 178.2 C 63
1077 103.43 N 64
1078 8.097 H 64
1079 46.8 CA 64
1080 3.96 HA2 64
1081 3.89 HA3 64
1082 0 QA 64
1083 175.9 C 64
1084 114.1 N 65
1085 7.34 H 65
1086 57.6 CA 65
1087 4.87 HA 65
1088 63.7 CB 65
1089 4.09 HB2 65
1090 3.86 HB3 65
1091 0 QB 65
1092 0 HG 65
1093 176.6 C 65
1094 122.4 N 66
1095 7.677 H 66
1096 65.1 CA 66
1097 4.008 HA 66
1098 37.8 CB 66
1099 2.2 HB 66
1100 16.2 CG2 66
1101 0.727 HG21 66
1102 0.727 HG22 66
1103 0.727 HG23 66
1104 0 QG2 66
1105 29.1 CG1 66
1106 1.781 HG12 66
1107 1.255 HG13 66
1108 0 QG1 66
1109 13.7 CD1 66
1110 0.98 HD11 66
1111 0.98 HD12 66
1112 0.98 HD13 66
1113 0 QD1 66
1114 176.4 C 66
1115 118.9 N 67
1116 8.712 H 67
1117 58.3 CA 67
1118 4.019 HA 67
1119 40.7 CB 67
1120 1.871 HB2 67
1121 1.114 HB3 67
1122 0 QB 67
1123 26.2 CG 67
1124 1.15 HG 67
1125 0 QD1 67
1126 0 QD2 67
1127 24.3 CD1 67
1128 0.489 HD11 67
1129 0.489 HD12 67
1130 0.489 HD13 67
1131 21.8 CD2 67
1132 -0.094 HD21 67
1133 -0.094 HD22 67
1134 -0.094 HD23 67
1135 0 QQD 67
1136 180.4 C 67
1137 117.3 N 68
1138 7.43 H 68
1139 57.4 CA 68
1140 4.703 HA 68
1141 32.89 CB 68
1142 1.82 HB2 68
1143 1.9 HB3 68
1144 0 QB 68
1145 27.12 CG 68
1146 1.38 HG2 68
1147 1.28 HG3 68
1148 0 QG 68
1149 30.29 CD 68
1150 1.67 HD2 68
1151 1.67 HD3 68
1152 0 QD 68
1153 43.3 CE 68
1154 3.06 HE2 68
1155 3 HE3 68
1156 0 QE 68
1157 0 NZ 68
1158 0 HZ1 68
1159 0 HZ2 68
1160 0 HZ3 68
1161 0 QZ 68
1162 178.7 C 68
1163 105.5 N 69
1164 7.711 H 69
1165 45.8 CA 69
1166 3.75 HA2 69
1167 3.291 HA3 69
1168 0 QA 69
1169 173.7 C 69
1170 117.06 N 70
1171 7.617 H 70
1172 60.2 CA 70
1173 4.326 HA 70
1174 39.2 CB 70
1175 3.448 HB2 70
1176 3.063 HB3 70
1177 0 QB 70
1178 0 CG 70
1179 0 CD1 70
1180 6.72 HD1 70
1181 0 CD2 70
1182 6.72 HD2 70
1183 0 QD 70
1184 6.39 CE1 70
1185 0 HE1 70
1186 6.39 CE2 70
1187 0 HE2 70
1188 0 QE 70
1189 0 QR 70
1190 0 CZ 70
1191 0 HZ 70
1192 175.5 C 70
1193 112.2 N 71
1194 8.03 H 71
1195 57.8 CA 71
1196 4.576 HA 71
1197 64.7 CB 71
1198 3.62 HB2 71
1199 3.62 HB3 71
1200 0 QB 71
1201 0 HG 71
1202 175.5 C 71
1203 123.9 N 72
1204 8.993 H 72
1205 61.9 CA 72
1206 4.323 HA 72
1207 63.05 CB 72
1208 3.982 HB2 72
1209 3.982 HB3 72
1210 0 QB 72
1211 0 HG 72
1212 173.7 C 72
1213 118.5 N 73
1214 8.084 H 73
1215 53.4 CA 73
1216 4.593 HA 73
1217 40.5 CB 73
1218 2.66 HB2 73
1219 2.66 HB3 73
1220 0 QB 73
1221 0 CG 73
1222 0 HD2 73
1223 175.9 C 73
1224 123.1 N 74
1225 7.76 H 74
1226 51.9 CA 74
1227 4.21 HA 74
1228 22.2 CB 74
1229 1.37 HB1 74
1230 1.37 HB2 74
1231 1.37 HB3 74
1232 0 QB 74
1233 176.1 C 74
1234 116.8 N 75
1235 8.159 H 75
1236 54.7 CA 75
1237 4.325 HA 75
1238 30.9 CB 75
1239 1.95 HB2 75
1240 1.79 HB3 75
1241 0 QB 75
1242 26.5 CG 75
1243 1.14 HG2 75
1244 1.44 HG3 75
1245 0 QG 75
1246 43.7 CD 75
1247 3.14 HD2 75
1248 3.05 HD3 75
1249 0 QD 75
1250 119.4 NE 75
1251 6.974 HE 75
1252 0 CZ 75
1253 0 NH1 75
1254 0 NH2 75
1255 0 HH21 75
1256 0 HH22 75
1257 0 QHZ 75
1258 175.6 C 75
1259 117.06 N 76
1260 8.078 H 76
1261 54.3 CA 76
1262 4.72 HA 76
1263 41.3 CB 76
1264 2.55 HB2 76
1265 2.31 HB3 76
1266 0 QB 76
1267 0 CG 76
1268 0 HD2 76
1269 178.3 C 76
1270 121.1 N 77
1271 8.774 H 77
1272 54.2 CA 77
1273 4.306 HA 77
1274 41.9 CB 77
1275 1.846 HB2 77
1276 1.508 HB3 77
1277 0 QB 77
1278 26.8 CG 77
1279 1.51 HG 77
1280 0 QD1 77
1281 0 QD2 77
1282 25.6 CD1 77
1283 0.321 HD11 77
1284 0.321 HD12 77
1285 0.321 HD13 77
1286 21.2 CD2 77
1287 -0.016 HD21 77
1288 -0.016 HD22 77
1289 -0.016 HD23 77
1290 0 QQD 77
1291 178.2 C 77
1292 119.4 N 78
1293 10.219 H 78
1294 56.9 CA 78
1295 4.547 HA 78
1296 66 CB 78
1297 4.52 HB2 78
1298 4.15 HB3 78
1299 0 QB 78
1300 0 HG 78
1301 175.9 C 78
1302 125.8 N 79
1303 9.111 H 79
1304 55.6 CA 79
1305 4.193 HA 79
1306 17.6 CB 79
1307 1.476 HB1 79
1308 1.476 HB2 79
1309 1.476 HB3 79
1310 0 QB 79
1311 180.2 C 79
1312 118.7 N 80
1313 8.39 H 80
1314 59.5 CA 80
1315 4.04 HA 80
1316 32.6 CB 80
1317 1.88 HB2 80
1318 1.75 HB3 80
1319 0 QB 80
1320 24.5 CG 80
1321 1.36 HG2 80
1322 1.36 HG3 80
1323 0 QG 80
1324 29.7 CD 80
1325 1.67 HD2 80
1326 1.67 HD3 80
1327 0 QD 80
1328 42.6 CE 80
1329 2.95 HE2 80
1330 2.95 HE3 80
1331 0 QE 80
1332 0 NZ 80
1333 0 HZ1 80
1334 0 HZ2 80
1335 0 HZ3 80
1336 0 QZ 80
1337 179.8 C 80
1338 120.2 N 81
1339 8.032 H 81
1340 59.1 CA 81
1341 4.055 HA 81
1342 31.9 CB 81
1343 2.55 HB2 81
1344 1.93 HB3 81
1345 0 QB 81
1346 38.1 CG 81
1347 2.46 HG2 81
1348 2.7 HG3 81
1349 0 QG 81
1350 0 CD 81
1351 0 HE2 81
1352 180.1 C 81
1353 117.5 N 82
1354 8.86 H 82
1355 67.4 CA 82
1356 4.24 HA 82
1357 67.4 CB 82
1358 3.57 HB 82
1359 22.5 CG2 82
1360 1.119 HG21 82
1361 1.119 HG22 82
1362 1.119 HG23 82
1363 0 QG2 82
1364 175.9 C 82
1365 122.3 N 83
1366 8.3 H 83
1367 59.7 CA 83
1368 3.948 HA 83
1369 32.3 CB 83
1370 1.93 HB2 83
1371 1.93 HB3 83
1372 0 QB 83
1373 25.4 CG 83
1374 1.54 HG2 83
1375 1.39 HG3 83
1376 0 QG 83
1377 29.2 CD 83
1378 1.67 HD2 83
1379 1.67 HD3 83
1380 0 QD 83
1381 42.4 CE 83
1382 2.93 HE2 83
1383 2.93 HE3 83
1384 0 QE 83
1385 0 NZ 83
1386 0 HZ1 83
1387 0 HZ2 83
1388 0 HZ3 83
1389 0 QZ 83
1390 179.8 C 83
1391 117.2 N 84
1392 8 H 84
1393 68.8 CA 84
1394 4.322 HA 84
1395 66.8 CB 84
1396 3.937 HB 84
1397 21.8 CG2 84
1398 1.33 HG21 84
1399 1.33 HG22 84
1400 1.33 HG23 84
1401 0 QG2 84
1402 176.2 C 84
1403 124.1 N 85
1404 7.746 H 85
1405 57.7 CA 85
1406 4.017 HA 85
1407 41.8 CB 85
1408 1.937 HB2 85
1409 1.558 HB3 85
1410 0 QB 85
1411 27 CG 85
1412 1.57 HG 85
1413 0 QD1 85
1414 0 QD2 85
1415 24.3 CD1 85
1416 0.79 HD11 85
1417 0.79 HD12 85
1418 0.79 HD13 85
1419 26.8 CD2 85
1420 0.83 HD21 85
1421 0.83 HD22 85
1422 0.83 HD23 85
1423 0 QQD 85
1424 177.8 C 85
1425 119.1 N 86
1426 8.695 H 86
1427 57.3 CA 86
1428 4.2 HA 86
1429 31.2 CB 86
1430 2.14 HB2 86
1431 1.9 HB3 86
1432 0 QB 86
1433 45.5 CG 86
1434 2.51 HG2 86
1435 2.59 HG3 86
1436 0 QG 86
1437 0 CE 86
1438 0 HE1 86
1439 0 HE2 86
1440 0 HE3 86
1441 0 QE 86
1442 177.7 C 86
1443 118.9 N 87
1444 7.991 H 87
1445 55 CA 87
1446 4.23 HA 87
1447 17 CB 87
1448 1.943 HB1 87
1449 1.943 HB2 87
1450 1.943 HB3 87
1451 0 QB 87
1452 179.8 C 87
1453 117.7 N 88
1454 7.37 H 88
1455 53.7 CA 88
1456 4.201 HA 88
1457 18.8 CB 88
1458 1.364 HB1 88
1459 1.364 HB2 88
1460 1.364 HB3 88
1461 0 QB 88
1462 179.1 C 88
1463 102.7 N 89
1464 8.149 H 89
1465 46.1 CA 89
1466 4.15 HA2 89
1467 3.27 HA3 89
1468 0 QA 89
1469 173.1 C 89
1470 120.2 N 90
1471 8.519 H 90
1472 53.5 CA 90
1473 4.763 HA 90
1474 39.8 CB 90
1475 2.881 HB2 90
1476 2.471 HB3 90
1477 0 QB 90
1478 0 CG 90
1479 0 HD2 90
1480 177 C 90
1481 127 N 91
1482 8.791 H 91
1483 57 CA 91
1484 4.206 HA 91
1485 33 CB 91
1486 1.92 HB2 91
1487 1.92 HB3 91
1488 0 QB 91
1489 24.9 CG 91
1490 1.54 HG2 91
1491 1.54 HG3 91
1492 0 QG 91
1493 28.8 CD 91
1494 1.67 HD2 91
1495 1.67 HD3 91
1496 0 QD 91
1497 42.7 CE 91
1498 2.99 HE2 91
1499 2.99 HE3 91
1500 0 QE 91
1501 0 NZ 91
1502 0 HZ1 91
1503 0 HZ2 91
1504 0 HZ3 91
1505 0 QZ 91
1506 178.5 C 91
1507 117.7 N 92
1508 8.665 H 92
1509 54.2 CA 92
1510 4.64 HA 92
1511 40.08 CB 92
1512 2.7 HB2 92
1513 2.7 HB3 92
1514 0 QB 92
1515 0 CG 92
1516 0 HD2 92
1517 177.5 C 92
1518 111 N 93
1519 8.286 H 93
1520 46.9 CA 93
1521 3.97 HA2 93
1522 3.83 HA3 93
1523 0 QA 93
1524 175.5 C 93
1525 120.8 N 94
1526 8.862 H 94
1527 53.1 CA 94
1528 4.528 HA 94
1529 40.2 CB 94
1530 2.81 HB2 94
1531 2.42 HB3 94
1532 0 QB 94
1533 0 CG 94
1534 0 HD2 94
1535 177.5 C 94
1536 112.6 N 95
1537 10.07 H 95
1538 46.3 CA 95
1539 3.919 HA2 95
1540 3.569 HA3 95
1541 0 QA 95
1542 173.1 C 95
1543 116.3 N 96
1544 7.617 H 96
1545 54.3 CA 96
1546 4.688 HA 96
1547 35.8 CB 96
1548 1.62 HB2 96
1549 1.47 HB3 96
1550 0 QB 96
1551 23.2 CG 96
1552 0.75 HG2 96
1553 0.95 HG3 96
1554 0 QG 96
1555 29.4 CD 96
1556 0.75 HD2 96
1557 0.95 HD3 96
1558 0 QD 96
1559 41.6 CE 96
1560 1.86 HE2 96
1561 2.16 HE3 96
1562 0 QE 96
1563 0 NZ 96
1564 0 HZ1 96
1565 0 HZ2 96
1566 0 HZ3 96
1567 0 QZ 96
1568 173.9 C 96
1569 118.8 N 97
1570 8.453 H 97
1571 60.1 CA 97
1572 4.682 HA 97
1573 40.2 CB 97
1574 1.964 HB 97
1575 17.5 CG2 97
1576 1.127 HG21 97
1577 1.127 HG22 97
1578 1.127 HG23 97
1579 0 QG2 97
1580 27.6 CG1 97
1581 1.684 HG12 97
1582 1.684 HG13 97
1583 0 QG1 97
1584 13.7 CD1 97
1585 0.863 HD11 97
1586 0.863 HD12 97
1587 0.863 HD13 97
1588 0 QD1 97
1589 176.4 C 97
1590 115.8 N 98
1591 9.502 H 98
1592 44.5 CA 98
1593 4.86 HA2 98
1594 3.96 HA3 98
1595 0 QA 98
1596 174.3 C 98
1597 120.3 N 99
1598 8.04 H 99
1599 65.4 CA 99
1600 2.204 HA 99
1601 31 CB 99
1602 1.352 HB 99
1603 0 QG1 99
1604 0 QG2 99
1605 19.5 CG1 99
1606 0.739 HG11 99
1607 0.739 HG12 99
1608 0.739 HG13 99
1609 22 CG2 99
1610 0.512 HG21 99
1611 0.512 HG22 99
1612 0.512 HG23 99
1613 0 QQG 99
1614 177.4 C 99
1615 122.5 N 100
1616 8.31 H 100
1617 59.2 CA 100
1618 4.109 HA 100
1619 28.2 CB 100
1620 1.99 HB2 100
1621 1.99 HB3 100
1622 0 QB 100
1623 36.2 CG 100
1624 2.27 HG2 100
1625 2.27 HG3 100
1626 0 QG 100
1627 0 CD 100
1628 0 HE2 100
1629 180 C 100
1630 121.5 N 101
1631 7.91 H 101
1632 59.3 CA 101
1633 4.041 HA 101
1634 30.1 CB 101
1635 2.55 HB2 101
1636 2.44 HB3 101
1637 0 QB 101
1638 38.8 CG 101
1639 2.43 HG2 101
1640 2.55 HG3 101
1641 0 QG 101
1642 0 CD 101
1643 0 HE2 101
1644 179.6 C 101
1645 122.136 N 102
1646 8.938 H 102
1647 62 CA 102
1648 3.95 HA 102
1649 40.26 CB 102
1650 3.035 HB2 102
1651 3.035 HB3 102
1652 0 QB 102
1653 0 CG 102
1654 0 CD1 102
1655 7.03 HD1 102
1656 0 CD2 102
1657 7.03 HD2 102
1658 0 QD 102
1659 0 CE1 102
1660 7.15 HE1 102
1661 0 CE2 102
1662 7.15 HE2 102
1663 0 QE 102
1664 0 QR 102
1665 0 CZ 102
1666 0 HZ 102
1667 175.9 C 102
1668 114.19 N 103
1669 8.216 H 103
1670 62.4 CA 103
1671 3.855 HA 103
1672 0 CB 103
1673 4.78 HB2 103
1674 4.78 HB3 103
1675 0 QB 103
1676 0 HG 103
1677 176 C 103
1678 120.3 N 104
1679 8.181 H 104
1680 66.7 CA 104
1681 3.887 HA 104
1682 68.6 CB 104
1683 4.185 HB 104
1684 21.9 CG2 104
1685 1.183 HG21 104
1686 1.183 HG22 104
1687 1.183 HG23 104
1688 0 QG2 104
1689 176.5 C 104
1690 122.6 N 105
1691 7.937 H 105
1692 57.5 CA 105
1693 4.07 HA 105
1694 42.5 CB 105
1695 1.72 HB2 105
1696 1.72 HB3 105
1697 0 QB 105
1698 26.6 CG 105
1699 1.534 HG 105
1700 0 QD1 105
1701 0 QD2 105
1702 24 CD1 105
1703 0.604 HD11 105
1704 0.604 HD12 105
1705 0.604 HD13 105
1706 24.8 CD2 105
1707 0.632 HD21 105
1708 0.632 HD22 105
1709 0.632 HD23 105
1710 0 QQD 105
1711 179.4 C 105
1712 117.4 N 106
1713 7.538 H 106
1714 66.2 CA 106
1715 3.05 HA 106
1716 31.5 CB 106
1717 1.663 HB 106
1718 0 QG1 106
1719 0 QG2 106
1720 21.9 CG1 106
1721 0.435 HG11 106
1722 0.435 HG12 106
1723 0.435 HG13 106
1724 21.9 CG2 106
1725 -0.35 HG21 106
1726 -0.35 HG22 106
1727 -0.35 HG23 106
1728 0 QQG 106
1729 177.8 C 106
1730 121.3 N 107
1731 7.92 H 107
1732 54.6 CA 107
1733 4.12 HA 107
1734 18.7 CB 107
1735 1.496 HB1 107
1736 1.496 HB2 107
1737 1.496 HB3 107
1738 0 QB 107
1739 179.6 C 107
1740 115.4 N 108
1741 7.967 H 108
1742 56.7 CA 108
1743 4.25 HA 108
1744 29.4 CB 108
1745 2.167 HB2 108
1746 2.056 HB3 108
1747 0 QB 108
1748 36.6 CG 108
1749 2.33 HG2 108
1750 2.54 HG3 108
1751 0 QG 108
1752 0 CD 108
1753 0 HE2 108
1754 176.7 C 108
1755 122.7 N 109
1756 7.607 H 109
1757 62.3 CA 109
1758 4.154 HA 109
1759 64.4 CB 109
1760 4.14 HB2 109
1761 4.22 HB3 109
1762 0 QB 109
1763 0 HG 109
1764 178.3 C 109




Please acknowledge these references in publications where the data from this site have been utilized.

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