NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11043 |
1qtg   |
4540 | cing | 1-original | 4 | STAR | chemical shift |
# The atom table chosen for this sequence is:
loop_
_Atom_shift_assign_ID
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
#
#Atom Residue
#shift Seq Residue Atom Atom Shift/ Error/ Ambiguity
#assign code Label Name Type ppm ppm Code
#---------------------------------------------------------------
#
15 2 LYS HA H 4.52 0.02 1
16 2 LYS HB2 H 1.88 0.02 2
17 2 LYS HB3 H 1.94 0.02 2
33 3 GLY H H 8.66 0.02 1
34 3 GLY HA2 H 4.09 0.02 2
35 3 GLY HA3 H 4.09 0.02 2
38 3 GLY N N 110.86 0.10 1
39 4 MET H H 8.38 0.02 1
40 4 MET HA H 4.65 0.02 1
41 4 MET HB2 H 2.12 0.02 2
42 4 MET HB3 H 2.21 0.02 2
43 4 MET HG2 H 2.69 0.02 2
44 4 MET HG3 H 2.69 0.02 2
51 4 MET N N 120.11 0.10 1
52 5 SER H H 8.55 0.02 1
53 5 SER HA H 4.55 0.02 1
54 5 SER HB2 H 3.99 0.02 2
55 5 SER HB3 H 3.99 0.02 2
60 5 SER N N 118.36 0.10 1
61 6 LYS H H 8.44 0.02 1
62 6 LYS HA H 4.46 0.02 1
63 6 LYS HB2 H 1.85 0.02 2
64 6 LYS HB3 H 1.95 0.02 2
65 6 LYS HG2 H 1.55 0.02 2
66 6 LYS HG3 H 1.55 0.02 2
69 6 LYS HE2 H 3.11 0.02 2
70 6 LYS HE3 H 3.11 0.02 2
78 6 LYS N N 123.14 0.10 1
80 7 MET H H 8.54 0.02 1
81 7 MET HA H 4.89 0.02 1
82 7 MET HB2 H 1.95 0.02 2
83 7 MET HB3 H 2.09 0.02 2
84 7 MET HG2 H 2.66 0.02 2
85 7 MET HG3 H 2.66 0.02 2
92 7 MET N N 123.15 0.10 1
93 8 PRO HA H 4.58 0.02 1
94 8 PRO HB2 H 1.80 0.02 2
95 8 PRO HB3 H 2.60 0.02 2
96 8 PRO HG2 H 1.98 0.02 2
97 8 PRO HG3 H 2.26 0.02 2
98 8 PRO HD2 H 3.66 0.02 2
99 8 PRO HD3 H 4.09 0.02 2
106 9 GLN H H 8.83 0.02 1
107 9 GLN HA H 4.12 0.02 1
108 9 GLN HB2 H 2.24 0.02 2
109 9 GLN HB3 H 2.24 0.02 2
110 9 GLN HG2 H 2.56 0.02 2
111 9 GLN HG3 H 2.56 0.02 2
112 9 GLN HE21 H 7.00 0.02 2
113 9 GLN HE22 H 7.66 0.02 2
119 9 GLN N N 124.13 0.10 1
120 9 GLN NE2 N 112.45 0.10 1
121 10 PHE H H 8.32 0.02 1
122 10 PHE HA H 4.24 0.02 1
123 10 PHE HB2 H 2.24 0.02 2
124 10 PHE HB3 H 3.46 0.02 2
125 10 PHE HD1 H 6.86 0.02 3
126 10 PHE HD2 H 6.86 0.02 3
127 10 PHE HE1 H 7.21 0.02 3
128 10 PHE HE2 H 7.21 0.02 3
129 10 PHE HZ H 7.22 0.02 1
139 10 PHE N N 118.46 0.10 1
140 11 LEU H H 7.18 0.02 1
141 11 LEU HA H 3.44 0.02 1
142 11 LEU HB2 H 1.26 0.02 2
143 11 LEU HB3 H 1.26 0.02 2
144 11 LEU HG H 0.75 0.02 1
145 11 LEU HD1 H 0.53 0.02 2
146 11 LEU HD2 H -0.31 0.02 2
153 11 LEU N N 115.20 0.10 1
154 12 ASN H H 7.62 0.02 1
155 12 ASN HA H 4.39 0.02 1
156 12 ASN HB2 H 2.82 0.02 2
157 12 ASN HB3 H 2.97 0.02 2
158 12 ASN HD21 H 6.90 0.02 2
159 12 ASN HD22 H 7.59 0.02 2
164 12 ASN N N 116.78 0.10 1
165 12 ASN ND2 N 110.87 0.10 1
166 13 ARG H H 9.05 0.02 1
167 13 ARG HA H 4.06 0.02 1
168 13 ARG HB2 H 2.00 0.02 2
169 13 ARG HB3 H 2.12 0.02 2
170 13 ARG HG2 H 1.86 0.02 2
171 13 ARG HG3 H 1.86 0.02 2
172 13 ARG HD2 H 3.37 0.02 2
173 13 ARG HD3 H 3.37 0.02 2
174 13 ARG HE H 7.64 0.02 1
185 13 ARG N N 127.06 0.10 1
186 13 ARG NE N 84.91 0.10 1
189 14 TRP H H 8.16 0.02 1
190 14 TRP HA H 4.74 0.02 1
191 14 TRP HB2 H 3.11 0.02 2
192 14 TRP HB3 H 3.41 0.02 2
193 14 TRP HD1 H 7.12 0.02 1
194 14 TRP HE1 H 10.43 0.02 1
195 14 TRP HE3 H 7.54 0.02 1
196 14 TRP HZ2 H 7.47 0.02 1
197 14 TRP HZ3 H 7.02 0.02 1
198 14 TRP HH2 H 7.13 0.02 1
210 14 TRP N N 124.20 0.10 1
211 14 TRP NE1 N 129.79 0.10 1
212 15 PRO HA H 4.59 0.02 1
213 15 PRO HB2 H 2.06 0.02 2
214 15 PRO HB3 H 2.68 0.02 2
215 15 PRO HG2 H 2.16 0.02 2
216 15 PRO HG3 H 2.32 0.02 2
217 15 PRO HD2 H 3.47 0.02 2
218 15 PRO HD3 H 3.79 0.02 2
225 16 ARG H H 9.05 0.02 1
226 16 ARG HA H 4.06 0.02 1
227 16 ARG HB2 H 2.00 0.02 2
228 16 ARG HB3 H 2.12 0.02 2
229 16 ARG HG2 H 1.86 0.02 2
230 16 ARG HG3 H 1.86 0.02 2
231 16 ARG HD2 H 3.37 0.02 2
232 16 ARG HD3 H 3.37 0.02 2
233 16 ARG HE H 7.64 0.02 1
244 16 ARG N N 127.06 0.10 1
245 16 ARG NE N 84.91 0.10 1
248 17 GLU H H 9.62 0.02 1
249 17 GLU HA H 4.29 0.02 1
250 17 GLU HB2 H 2.16 0.02 2
251 17 GLU HB3 H 2.16 0.02 2
252 17 GLU HG2 H 2.46 0.02 2
253 17 GLU HG3 H 2.46 0.02 2
259 17 GLU N N 116.85 0.10 1
260 18 VAL H H 7.33 0.02 1
261 18 VAL HA H 3.90 0.02 1
262 18 VAL HB H 2.47 0.02 1
263 18 VAL HG1 H 1.30 0.02 2
264 18 VAL HG2 H 1.30 0.02 2
270 18 VAL N N 118.47 0.10 1
271 19 LEU H H 8.25 0.02 1
272 19 LEU HA H 4.28 0.02 1
273 19 LEU HB2 H 1.78 0.02 2
274 19 LEU HB3 H 1.99 0.02 2
275 19 LEU HG H 1.88 0.02 1
276 19 LEU HD1 H 1.05 0.02 2
277 19 LEU HD2 H 1.05 0.02 2
284 19 LEU N N 121.70 0.10 1
285 20 ASP H H 8.92 0.02 1
286 20 ASP HA H 4.51 0.02 1
287 20 ASP HB2 H 2.70 0.02 2
288 20 ASP HB3 H 2.83 0.02 2
293 20 ASP N N 118.22 0.10 1
294 21 LEU H H 7.26 0.02 1
295 21 LEU HA H 4.21 0.02 1
296 21 LEU HB2 H 1.41 0.02 2
297 21 LEU HB3 H 1.59 0.02 2
298 21 LEU HG H 1.27 0.02 1
299 21 LEU HD1 H 0.43 0.02 2
300 21 LEU HD2 H 0.72 0.02 2
307 21 LEU N N 121.75 0.10 1
308 22 VAL H H 8.70 0.02 1
309 22 VAL HA H 3.90 0.02 1
310 22 VAL HB H 2.55 0.02 1
311 22 VAL HG1 H 1.29 0.02 1
312 22 VAL HG2 H 1.47 0.02 1
318 22 VAL N N 118.11 0.10 1
319 23 ARG H H 8.42 0.02 1
320 23 ARG HA H 4.03 0.02 1
321 23 ARG HB2 H 2.07 0.02 2
322 23 ARG HB3 H 2.07 0.02 2
323 23 ARG HG2 H 1.74 0.02 2
324 23 ARG HG3 H 1.96 0.02 2
325 23 ARG HD2 H 3.38 0.02 2
326 23 ARG HD3 H 3.38 0.02 2
327 23 ARG HE H 7.48 0.02 1
338 23 ARG N N 118.30 0.10 1
339 23 ARG NE N 84.04 0.10 1
342 24 LYS H H 7.97 0.02 1
343 24 LYS HA H 4.23 0.02 1
344 24 LYS HB2 H 2.10 0.02 2
345 24 LYS HB3 H 2.10 0.02 2
346 24 LYS HG2 H 1.51 0.02 2
347 24 LYS HG3 H 1.66 0.02 2
348 24 LYS HD2 H 1.79 0.02 2
349 24 LYS HD3 H 1.79 0.02 2
350 24 LYS HE2 H 3.06 0.02 2
351 24 LYS HE3 H 3.06 0.02 2
359 24 LYS N N 120.04 0.10 1
361 25 VAL H H 8.68 0.02 1
362 25 VAL HA H 3.99 0.02 1
363 25 VAL HB H 2.26 0.02 1
364 25 VAL HG1 H 1.17 0.02 1
365 25 VAL HG2 H 1.25 0.02 1
371 25 VAL N N 118.19 0.10 1
372 26 ALA H H 8.66 0.02 1
373 26 ALA HA H 4.34 0.02 1
374 26 ALA HB H 1.60 0.02 1
378 26 ALA N N 124.27 0.10 1
379 27 GLU H H 7.89 0.02 1
380 27 GLU HA H 4.23 0.02 1
381 27 GLU HB2 H 2.32 0.02 2
382 27 GLU HB3 H 2.41 0.02 2
383 27 GLU HG2 H 2.62 0.02 2
384 27 GLU HG3 H 2.62 0.02 2
390 27 GLU N N 116.74 0.10 1
391 28 GLU H H 8.33 0.02 1
392 28 GLU HA H 4.15 0.02 1
393 28 GLU HB2 H 2.20 0.02 2
394 28 GLU HB3 H 2.40 0.02 2
395 28 GLU HG2 H 2.69 0.02 2
396 28 GLU HG3 H 2.69 0.02 2
402 28 GLU N N 121.47 0.10 1
403 29 ASN H H 8.14 0.02 1
404 29 ASN HA H 4.15 0.02 1
405 29 ASN HB2 H 2.97 0.02 1
406 29 ASN HB3 H 2.97 0.02 1
407 29 ASN HD21 H 7.12 0.02 1
408 29 ASN HD22 H 8.38 0.02 1
413 29 ASN N N 115.46 0.10 1
414 29 ASN ND2 N 115.83 0.10 1
415 30 GLY H H 8.16 0.02 1
416 30 GLY HA2 H 4.09 0.02 2
417 30 GLY HA3 H 4.09 0.02 2
420 30 GLY N N 110.88 0.10 1
421 31 ARG H H 8.59 0.02 1
422 31 ARG HA H 5.01 0.02 1
423 31 ARG HB2 H 2.00 0.02 2
424 31 ARG HB3 H 2.09 0.02 2
425 31 ARG HG2 H 1.74 0.02 2
426 31 ARG HG3 H 1.74 0.02 2
427 31 ARG HD2 H 3.10 0.02 2
428 31 ARG HD3 H 3.43 0.02 2
429 31 ARG HE H 7.75 0.02 1
440 31 ARG N N 117.88 0.10 1
441 31 ARG NE N 84.50 0.10 1
444 32 SER H H 8.50 0.02 1
445 32 SER HA H 4.46 0.02 1
446 32 SER HB2 H 4.21 0.02 2
447 32 SER HB3 H 4.58 0.02 2
452 32 SER N N 114.49 0.10 1
453 33 VAL H H 9.01 0.02 1
454 33 VAL HA H 3.69 0.02 1
455 33 VAL HB H 2.26 0.02 1
456 33 VAL HG1 H 1.08 0.02 1
457 33 VAL HG2 H 1.25 0.02 1
463 33 VAL N N 121.42 0.10 1
464 34 ASN H H 8.55 0.02 1
465 34 ASN HA H 4.35 0.02 1
466 34 ASN HB2 H 2.76 0.02 2
467 34 ASN HB3 H 2.83 0.02 2
468 34 ASN HD21 H 6.77 0.02 2
469 34 ASN HD22 H 6.77 0.02 2
474 34 ASN N N 116.91 0.10 1
475 34 ASN ND2 N 112.72 0.10 1
476 35 SER H H 8.20 0.02 1
477 35 SER HA H 4.36 0.02 1
478 35 SER HB2 H 4.08 0.02 2
479 35 SER HB3 H 4.15 0.02 2
484 35 SER N N 114.41 0.10 1
485 36 GLU H H 8.76 0.02 1
486 36 GLU HA H 4.04 0.02 1
487 36 GLU HB2 H 2.24 0.02 2
488 36 GLU HB3 H 2.24 0.02 2
489 36 GLU HG2 H 2.45 0.02 2
490 36 GLU HG3 H 2.60 0.02 2
496 36 GLU N N 124.20 0.10 1
497 37 ILE H H 8.37 0.02 1
498 37 ILE HA H 3.76 0.02 1
499 37 ILE HB H 2.52 0.02 1
500 37 ILE HG12 H 1.46 0.02 1
501 37 ILE HG13 H 2.22 0.02 1
502 37 ILE HG2 H 1.41 0.02 1
503 37 ILE HD1 H 1.09 0.02 1
510 37 ILE N N 117.93 0.10 1
511 38 TYR H H 8.72 0.02 1
512 38 TYR HA H 3.45 0.02 1
513 38 TYR HB2 H 2.47 0.02 2
514 38 TYR HB3 H 2.84 0.02 2
515 38 TYR HD1 H 5.84 0.02 3
516 38 TYR HD2 H 5.84 0.02 3
517 38 TYR HE1 H 6.45 0.02 3
518 38 TYR HE2 H 6.45 0.02 3
529 38 TYR N N 119.93 0.10 1
530 39 GLN H H 8.60 0.02 1
531 39 GLN HA H 3.60 0.02 1
532 39 GLN HB2 H 2.19 0.02 2
533 39 GLN HB3 H 2.19 0.02 2
534 39 GLN HG2 H 2.45 0.02 2
535 39 GLN HG3 H 2.63 0.02 2
536 39 GLN HE21 H 6.83 0.02 2
537 39 GLN HE22 H 7.69 0.02 2
543 39 GLN N N 117.33 0.10 1
544 39 GLN NE2 N 111.32 0.10 1
545 40 ARG H H 7.75 0.02 1
546 40 ARG HA H 4.03 0.02 1
547 40 ARG HB2 H 1.82 0.02 2
548 40 ARG HB3 H 1.82 0.02 2
549 40 ARG HG2 H 1.72 0.02 2
550 40 ARG HG3 H 1.72 0.02 2
551 40 ARG HD2 H 2.72 0.02 2
552 40 ARG HD3 H 2.98 0.02 2
553 40 ARG HE H 9.46 0.02 1
564 40 ARG N N 118.12 0.10 1
565 40 ARG NE N 87.38 0.10 1
568 41 VAL H H 8.59 0.02 1
569 41 VAL HA H 3.40 0.02 1
570 41 VAL HB H 2.21 0.02 1
571 41 VAL HG1 H 0.91 0.02 1
572 41 VAL HG2 H 1.35 0.02 1
578 41 VAL N N 121.44 0.10 1
579 42 MET H H 8.95 0.02 1
580 42 MET HA H 4.22 0.02 1
581 42 MET HB2 H 1.69 0.02 2
582 42 MET HB3 H 1.83 0.02 2
583 42 MET HG2 H 1.99 0.02 2
584 42 MET HG3 H 1.99 0.02 2
591 42 MET N N 121.99 0.10 1
592 43 GLU H H 8.52 0.02 1
593 43 GLU HA H 4.08 0.02 1
594 43 GLU HB2 H 2.16 0.02 2
595 43 GLU HB3 H 2.16 0.02 2
596 43 GLU HG2 H 2.42 0.02 2
597 43 GLU HG3 H 2.50 0.02 2
603 43 GLU N N 119.37 0.10 1
604 44 SER H H 7.75 0.02 1
605 44 SER HA H 4.29 0.02 1
606 44 SER HB2 H 3.99 0.02 2
607 44 SER HB3 H 4.15 0.02 2
612 44 SER N N 116.46 0.10 1
613 45 PHE H H 7.61 0.02 1
614 45 PHE HA H 4.79 0.02 1
615 45 PHE HB2 H 3.23 0.02 2
616 45 PHE HB3 H 3.23 0.02 2
617 45 PHE HD1 H 7.37 0.02 3
618 45 PHE HD2 H 7.37 0.02 3
619 45 PHE HE1 H 7.23 0.02 3
620 45 PHE HE2 H 7.23 0.02 3
621 45 PHE HZ H 6.97 0.02 1
631 45 PHE N N 121.46 0.10 1
632 46 LYS H H 8.38 0.02 1
633 46 LYS HA H 4.37 0.02 1
634 46 LYS HB2 H 2.06 0.02 2
635 46 LYS HB3 H 2.06 0.02 2
636 46 LYS HG2 H 1.48 0.02 2
637 46 LYS HG3 H 1.68 0.02 2
638 46 LYS HD2 H 1.79 0.02 2
639 46 LYS HD3 H 1.79 0.02 2
640 46 LYS HE2 H 3.02 0.02 2
641 46 LYS HE3 H 3.02 0.02 2
649 46 LYS N N 122.87 0.10 1
651 47 LYS H H 8.50 0.02 1
652 47 LYS HA H 4.28 0.02 1
653 47 LYS HB2 H 2.03 0.02 2
654 47 LYS HB3 H 2.03 0.02 2
655 47 LYS HG2 H 1.62 0.02 2
656 47 LYS HG3 H 1.62 0.02 2
657 47 LYS HD2 H 1.80 0.02 2
658 47 LYS HD3 H 1.80 0.02 2
659 47 LYS HE2 H 3.10 0.02 2
660 47 LYS HE3 H 3.10 0.02 2
668 47 LYS N N 120.98 0.10 1
670 48 GLU H H 7.69 0.02 1
671 48 GLU HA H 4.44 0.02 1
672 48 GLU HB2 H 2.32 0.02 2
673 48 GLU HB3 H 2.32 0.02 2
674 48 GLU HG2 H 2.54 0.02 2
675 48 GLU HG3 H 2.64 0.02 2
681 48 GLU N N 116.96 0.10 1
682 49 GLY H H 8.14 0.02 1
683 49 GLY HA2 H 4.06 0.02 2
684 49 GLY HA3 H 4.18 0.02 2
687 49 GLY N N 108.01 0.10 1
688 50 ARG H H 8.15 0.02 1
689 50 ARG HA H 4.42 0.02 1
690 50 ARG HB2 H 1.75 0.02 2
691 50 ARG HB3 H 2.02 0.02 2
692 50 ARG HG2 H 1.76 0.02 2
693 50 ARG HG3 H 1.76 0.02 2
694 50 ARG HD2 H 3.19 0.02 2
695 50 ARG HD3 H 3.27 0.02 2
696 50 ARG HE H 7.67 0.02 1
707 50 ARG N N 117.36 0.10 1
708 50 ARG NE N 83.57 0.10 1
711 51 ILE H H 7.63 0.02 1
712 51 ILE HA H 4.33 0.02 1
713 51 ILE HB H 1.80 0.02 1
714 51 ILE HG12 H 1.14 0.02 2
715 51 ILE HG13 H 1.48 0.02 2
716 51 ILE HG2 H 0.92 0.02 1
717 51 ILE HD1 H 0.92 0.02 1
724 51 ILE N N 117.09 0.10 1
725 52 GLY H H 8.62 0.02 1
726 52 GLY HA2 H 3.98 0.02 2
727 52 GLY HA3 H 4.07 0.02 2
730 52 GLY N N 113.16 0.10 1
731 53 ALA H H 8.25 0.02 1
732 53 ALA HA H 4.33 0.02 1
733 53 ALA HB H 1.36 0.02 1
737 53 ALA N N 123.35 0.10 1
840 60 LYS H H 8.66 0.02 1
841 60 LYS HA H 4.37 0.02 1
842 60 LYS HB2 H 1.88 0.02 2
843 60 LYS HB3 H 1.88 0.02 2
844 60 LYS HG2 H 1.51 0.02 2
845 60 LYS HG3 H 1.51 0.02 2
846 60 LYS HD2 H 1.79 0.02 2
847 60 LYS HD3 H 1.79 0.02 2
848 60 LYS HE2 H 3.10 0.02 2
849 60 LYS HE3 H 3.10 0.02 2
857 60 LYS N N 123.36 0.10 1
859 61 ASN H H 8.74 0.02 1
860 61 ASN HA H 4.78 0.02 1
861 61 ASN HB2 H 2.91 0.02 2
862 61 ASN HB3 H 2.99 0.02 2
869 61 ASN N N 120.11 0.10 1
871 62 GLN H H 8.42 0.02 1
872 62 GLN HA H 4.39 0.02 1
873 62 GLN HB2 H 2.04 0.02 2
874 62 GLN HB3 H 2.14 0.02 2
875 62 GLN HG2 H 2.40 0.02 2
876 62 GLN HG3 H 2.40 0.02 2
884 62 GLN N N 120.18 0.10 1
886 63 HIS H H 8.57 0.02 1
887 63 HIS HA H 4.79 0.02 1
900 63 HIS N N 119.25 0.10 1
903 64 GLU H H 8.31 0.02 1
904 64 GLU HA H 4.26 0.02 1
905 64 GLU HB2 H 2.02 0.02 2
906 64 GLU HB3 H 2.20 0.02 2
907 64 GLU HG2 H 2.35 0.02 2
908 64 GLU HG3 H 2.35 0.02 2
914 64 GLU N N 127.55 0.10 1
stop_
# The following loop is used to define sets of Atom-shift assignment IDs that
# represent related ambiguous assignments taken from the above list of
# assigned chemical shifts. Each element in the set should be separated by a
# comma, as shown in the example below, and is the assignment ID for a chemical
# shift assignment that has been given as ambiguity code of 4 or 5. Each set
# indicates that the observed chemical shifts are related to the defined
# atoms, but have not been assigned uniquely to a specific atom in the set.
loop_
_Atom_shift_assign_ID_ambiguity
#
# Sets of Atom-shift Assignment Ambiguities
#
# ------------------------------------------
# Example: 5,4,7
#
@
stop_
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