NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position type subsubtype
6787 1jjg 5077 cing recoord 1-original 7 chemical shift format 3


###################################################################    
#      Chemical Shift Ambiguity Code Definitions                  #
#                                                                 #
#    Codes            Definition                                  #
#                                                                 #
#      1             Unique                                       #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups                           #
#      3             Aromatic atoms on opposite sides of the ring #
#                        (e.g. Tyr HE1 and HE2 protons)           #
#      4             Intraresidue ambiguities (e.g. Lys HG and    #
#                         HD protons)                             #
#      5             Interresidue ambiguities (Lys 12 vs. Lys 27) #
"#      9             Ambiguous, specific ambiguity not defined    #"
#                                                                 #
###################################################################


# INSTRUCTIONS
# 1) Replace the @-signs with appropriate values.
# 2) Text comments concerning the assignments can be
#    supplied in the full deposition.
# 3) Feel free to add or delete rows to the table as needed.
#    The row numbers (_Atom_shift_assign_ID values) will be
#    re-assigned to sequential values by BMRB


# 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    
#---------------------------------------------------------------           
#           
              
2 1 MET HA  H 4.56 0.01  1     
8 1 MET C  C 175.50 0.1  1     
14 2 THR H  H 7.81 0.01  1     
20 2 THR CA  C 63.22 0.1  1     
21 2 THR CB  C 70.62 0.1  1     
23 2 THR N  N 120.50 0.1  1     
36 4 ILE HA  H 4.23 0.01  1     
37 4 ILE HB  H 1.84 0.01  1     
38 4 ILE HG12  H 1.53 0.01  2     
39 4 ILE HG13  H 1.21 0.01  4     
40 4 ILE HG2  H 0.91 0.01  4     
41 4 ILE HD1  H 0.91 0.01  4     
42 4 ILE C  C 175.6 0.1  1     
43 4 ILE CA  C 60.88 0.1  1     
44 4 ILE CB  C 38.48 0.1  1     
45 4 ILE CG1  C 27.27 0.1  1     
46 4 ILE CG2  C 17.24 0.1  1     
47 4 ILE CD1  C 12.69 0.1  1     
48 4 ILE N  N 128.1 0.1  1     
49 5 LYS H  H 8.53 0.01  1     
61 5 LYS CA  C 54.10 0.1 1     
62 5 LYS CB  C 37.71 0.1  1     
75 6 PRO C  C 176.20 0.1  1     
81 7 SER H  H 8.01 0.01  1     
87 7 SER CA  C 59.97 0.1  1     
88 7 SER CB  C 64.89 0.1  1     
89 7 SER N  N 122.00 0.1  1     
91 8 SER HA  H 4.29 0.01  1   
129 10 PRO C  C 176.00 0.1  1     
135 11 ARG H  H 7.99 0.01  1     
149 11 ARG CA  C 57.49 0.1  1     
150 11 ARG CB  C 31.64 0.1  1     
154 11 ARG N  N 126.30 0.1  1     
165 12 PRO C  C 176.70 0.1  1     
171 13 ARG H  H 8.44 0.01  1     
172 13 ARG HA  H 4.35 0.01  1     
184 13 ARG C  C 176.10 0.1  1     
185 13 ARG CA  C 55.98 0.1  1     
186 13 ARG CB  C 31.08 0.1  1     
190 13 ARG N  N 122.00 0.1  1     
194 14 LYS H  H 8.42 0.01  1     
195 14 LYS HA  H 4.35 0.01  1     
205 14 LYS C  C 175.40 0.1  1     
206 14 LYS CA  C 56.25 0.1  1     
207 14 LYS CB  C 33.15 0.1  1     
211 14 LYS N  N 123.50 0.1  1     
213 15 ASN H  H 8.09 0.01  1     
220 15 ASN CA  C 54.74 0.1  1     
221 15 ASN CB  C 40.38 0.1  1     
223 15 ASN N  N 125.70 0.1  1     
245 17 ASN HA  H 4.83 0.01  1     
250 17 ASN C  C 174.70 0.1  1     
256 18 ILE H  H 8.29 0.01  1     
257 18 ILE HA  H 4.22 0.01  1     
258 18 ILE HB  H 1.89 0.01  1     
259 18 ILE HG12  H 1.46 0.01  1     
260 18 ILE HG13  H 1.20 0.01  1     
261 18 ILE HG2  H 0.91 0.01  1     
262 18 ILE HD1  H 0.90 0.01  1     
263 18 ILE C  C 175.80 0.1  1     
264 18 ILE CA  C 61.12 0.1  1     
265 18 ILE CB  C 38.89 0.1  1     
266 18 ILE CG1  C 17.51 0.1  1     
267 18 ILE CG2  C 27.04 0.1  1     
268 18 ILE CD1  C 12.96 0.1  1     
269 18 ILE N  N 122.10 0.1  1     
270 19 LYS H  H 8.39 0.01  1     
271 19 LYS HA  H 4.40 0.01  1     
281 19 LYS C  C 176.10 0.1  1     
282 19 LYS CA  C 56.24 0.1  1     
283 19 LYS CB  C 33.08 0.1  1     
287 19 LYS N  N 126.20 0.1  1     
289 20 VAL H  H 8.26 0.01  1     
295 20 VAL CA  C 62.25 0.1  1     
296 20 VAL CB  C 32.92 0.1  1     
299 20 VAL N  N 122.60 0.1  1     
313 22 THR HA  H 3.80 0.01  1     
314 22 THR HB  H 4.15 0.01  1     
316 22 THR HG2  H 1.27 0.01  1     
317 22 THR C  C 170.50 0.1  1     
318 22 THR CA  C 69.35 0.1  1     
319 22 THR CB  C 61.74 0.1  1     
320 22 THR CG2  C 21.31 0.1  1     
322 23 TYR H  H 8.23 0.01  1     
332 23 TYR CA  C 59.70 0.1  1    
333 23 TYR CB  C 39.13 0.1  1     
340 23 TYR N  N 128.50 0.1  1     
342 24 ARG HA  H 4.42 0.01  1     
354 24 ARG C  C 175.90 0.1  1     
364 25 THR H  H 8.27 0.01  1     
365 25 THR HA  H 4.53 0.01  1     
366 25 THR HB  H 4.27 0.01  1     
368 25 THR HG2  H 1.26 0.01  1     
369 25 THR C  C 174.20 0.1  1     
370 25 THR CA  C 61.74 0.1  1     
371 25 THR CB  C 69.72 0.1  1     
372 25 THR CG2  C 21.54 0.1  1     
373 25 THR N  N 115.70 0.1  1     
374 26 SER H  H 8.54 0.01  1     
375 26 SER HA  H 4.55 0.01  1     
376 26 SER HB2  H 3.92 0.01  1     
379 26 SER C  C 174.30 0.1  1     
380 26 SER CA  C 58.29 0.1  1     
381 26 SER CB  C 64.04 0.1  1     
382 26 SER N  N 118.80 0.1  1     
383 27 ALA H  H 8.46 0.01  1     
384 27 ALA HA  H 4.44 0.01  1     
385 27 ALA HB  H 1.43 0.01  1     
386 27 ALA C  C 177.90 0.1  1     
387 27 ALA CA  C 52.94 0.1  1     
388 27 ALA CB  C 19.15 0.1  1     
389 27 ALA N  N 126.10 0.1  1     
390 28 MET H  H 8.35 0.01  1     
391 28 MET HA  H 4.55 0.01  1     
392 28 MET HB2  H 2.04 0.01  1     
393 28 MET HB3  H 2.17 0.01  1     
397 28 MET C  C 176.2 0.1  1     
398 28 MET CA  C 55.62 0.1  1     
399 28 MET CB  C 32.85 0.1  1     
400 28 MET CG  C 32.13 0.1  1     
402 28 MET N  N 118.90 0.1  1     
403 29 ASP H  H 8.22 0.01  1     
404 29 ASP HA  H 4.65 0.01  1     
405 29 ASP HB2  H 2.76 0.01  1     
407 29 ASP C  C 175.7 0.1  1     
408 29 ASP CA  C 54.45 0.1  1     
409 29 ASP CB  C 41.25 0.1  1     
411 29 ASP N  N 121.60 0.1  1     
412 30 LEU H  H 8.10 0.01  1     
413 30 LEU HA  H 4.14 0.01  1     
414 30 LEU HB2  H 1.12 0.01  2     
416 30 LEU HG  H -0.16 0.01  4     
417 30 LEU HD1  H 0.73 0.01  4     
418 30 LEU HD2  H -0.48 0.01  2     
419 30 LEU C  C 175.5 0.1  1     
420 30 LEU CA  C 53.05 0.1  1     
421 30 LEU CB  C 41.08 0.1  1     
422 30 LEU CG  C 24.64 0.1  4     
424 30 LEU CD2  C 22.37 0.1  2     
425 30 LEU N  N 122.30 0.1  1     
426 31 SER H  H 7.83 0.01  1     
427 31 SER HA  H 4.67 0.01  1     
428 31 SER HB2  H 3.87 0.01  2     
429 31 SER HB3  H 3.87 0.01  2        
432 31 SER CA  C 56.42 0.1  1     
433 31 SER CB  C 62.97 0.1  1     
434 31 SER N  N 115.80 0.1  1     
435 32 PRO HA  H 3.94 0.01  1     
436 32 PRO HB2  H 2.28 0.01  2     
437 32 PRO HB3  H 1.97 0.01  2     
438 32 PRO HG2  H 1.88 0.01  2     
439 32 PRO HG3  H 2.33 0.01  2     
440 32 PRO HD2  H 3.72 0.01  2     
441 32 PRO HD3  H 3.88 0.01  2     
442 32 PRO C  C 177.1 0.1  1     
443 32 PRO CA  C 64.45 0.1  1     
444 32 PRO CB  C 31.24 0.1  1     
445 32 PRO CG  C 28.44 0.1  1     
446 32 PRO CD  C 51.03 0.1  1     
448 33 GLY H  H 9.44 0.01  1     
449 33 GLY HA2  H 4.49 0.01  2     
450 33 GLY HA3  H 3.58 0.01  2     
451 33 GLY C  C 173.90 0.1  1     
452 33 GLY CA  C 45.02 0.1  1     
453 33 GLY N  N 113.70 0.1  1     
454 34 SER H  H 8.10 0.01  1     
455 34 SER HA  H 4.31 0.01  1     
456 34 SER HB2  H 3.90 0.01  2     
457 34 SER HB3  H 4.03 0.01  2          
459 34 SER C  C 173.10 0.1  1     
460 34 SER CA  C 58.84 0.1  1     
461 34 SER CB  C 64.37 0.1  1     
462 34 SER N  N 116.70 0.1  1     
463 35 VAL H  H 8.10 0.01  1     
464 35 VAL HA  H 5.09 0.01  1     
465 35 VAL HB  H 1.65 0.01  1     
466 35 VAL HG1  H 0.63 0.01  2     
467 35 VAL HG2  H 0.63 0.01  2    
468 35 VAL C  C 176.10 0.1  1     
469 35 VAL CA  C 61.21 0.1  1     
470 35 VAL CB  C 33.14 0.1  1     
471 35 VAL CG1  C 20.83 0.1  2     
472 35 VAL CG2  C 20.83 0.1  2     
473 35 VAL N  N 122.20 0.1  1     
474 36 HIS H  H 8.76 0.01  1     
475 36 HIS HA  H 4.82 0.01  1     
476 36 HIS HB2  H 2.40 0.01  2     
477 36 HIS HB3  H 3.37 0.01  2     
479 36 HIS HD2  H 6.68 0.01  1     
482 36 HIS C  C 174.70 0.1  1     
483 36 HIS CA  C 54.34 0.1  1     
484 36 HIS CB  C 35.10 0.1  1     
486 36 HIS CD2  C 119.3 0.1  1     
488 36 HIS N  N 123.20 0.1  1     
491 37 GLU H  H 9.26 0.01  1     
492 37 GLU HA  H 5.38 0.01  1     
493 37 GLU HB2  H 2.03 0.01  2     
494 37 GLU HB3  H 1.95 0.01  2     
495 37 GLU HG2  H 2.25 0.01  2     
496 37 GLU HG3  H 2.12 0.01  2     
497 37 GLU C  C 176.20 0.1  1     
498 37 GLU CA  C 55.33 0.1  1     
499 37 GLU CB  C 32.37 0.1  1     
500 37 GLU CG  C 37.60 0.1  1     
502 37 GLU N  N 125.10 0.1  1     
503 38 GLY H  H 8.68 0.01  1     
504 38 GLY HA2  H 4.64 0.01  2     
505 38 GLY HA3  H 3.85 0.01  2     
506 38 GLY C  C 169.90 0.1  1     
507 38 GLY CA  C 46.48 0.1  1     
508 38 GLY N  N 106.70 0.1  1     
509 39 ILE H  H 8.17 0.01  1     
510 39 ILE HA  H 5.02 0.01  1     
511 39 ILE HB  H 1.74 0.01  1     
512 39 ILE HG12  H 1.10 0.01  2     
513 39 ILE HG13  H 1.62 0.01  2     
514 39 ILE HG2  H 0.97 0.01  1     
515 39 ILE HD1  H 0.96 0.01  1     
516 39 ILE C  C 176.50 0.1  1     
517 39 ILE CA  C 59.85 0.1  1     
518 39 ILE CB  C 41.19 0.1  1     
519 39 ILE CG1  C 28.90 0.1  1     
520 39 ILE CG2  C 17.46 0.1  1     
521 39 ILE CD1  C 14.02 0.1  1     
522 39 ILE N  N 119.10 0.1  1     
523 40 VAL H  H 8.45 0.01  1     
524 40 VAL HA  H 4.80 0.01  1     
525 40 VAL HB  H 2.61 0.01  1     
526 40 VAL HG1  H 1.13 0.01  2     
527 40 VAL HG2  H 1.07 0.01  2     
528 40 VAL C  C 176.20 0.1  1     
529 40 VAL CA  C 63.19 0.1  1     
530 40 VAL CB  C 31.03 0.1  1     
531 40 VAL CG1  C 23.09 0.1  2     
532 40 VAL CG2  C 23.09 0.1  2     
533 40 VAL N  N 128.30 0.1  1     
534 41 TYR H  H 9.47 0.01  1     
535 41 TYR HA  H 5.09 0.01  1     
536 41 TYR HB2  H 3.08 0.01  2     
537 41 TYR HB3  H 3.21 0.01  2     
538 41 TYR HD1  H 7.05 0.01  3     
539 41 TYR HD2  H 7.05 0.01  3     
540 41 TYR HE1  H 6.50 0.01  3     
541 41 TYR HE2  H 6.50 0.01  3           
543 41 TYR C  C 170.60 0.1  1     
544 41 TYR CA  C 56.27 0.1  1     
545 41 TYR CB  C 40.43 0.1  1     
547 41 TYR CD1  C 134.14 0.1  3     
548 41 TYR CD2  C 134.14 0.1  3    
549 41 TYR CE1  C 117.8 0.1  3     
550 41 TYR CE2  C 117.8 0.1  3        
552 41 TYR N  N 127.70 0.1  1     
553 42 PHE H  H 9.07 0.01  1     
554 42 PHE HA  H 5.01 0.01  1     
555 42 PHE HB2  H 2.24 0.01  2     
556 42 PHE HB3  H 2.94 0.01  2     
557 42 PHE HD1  H 6.00 0.01  3     
558 42 PHE HD2  H 6.00 0.01  3      
562 42 PHE C  C 174.10 0.1  1     
563 42 PHE CA  C 56.36 0.1  1     
564 42 PHE CB  C 42.36 0.1  1     
566 42 PHE CD1  C 131.56 0.1  3     
567 42 PHE CD2  C 131.56 0.1  3    
571 42 PHE N  N 123.20 0.1  1     
572 43 LYS H  H 8.26 0.01  1     
573 43 LYS HA  H 4.39 0.01  1     
574 43 LYS HB2  H 1.49 0.01  2     
575 43 LYS HB3  H 1.89 0.01  2     
576 43 LYS HG2  H 1.50 0.01  2     
577 43 LYS HG3  H 1.50 0.01  2    
578 43 LYS HD2  H 1.74 0.01  2     
579 43 LYS HD3  H 1.90 0.01  2     
580 43 LYS HE2  H 3.06 0.01  2     
581 43 LYS HE3  H 3.06 0.01  2         
583 43 LYS C  C 174.50 0.1  1     
584 43 LYS CA  C 55.65 0.1  1     
585 43 LYS CB  C 36.70 0.1  1     
586 43 LYS CG  C 24.86 0.1  1     
587 43 LYS CD  C 29.53 0.1  1     
588 43 LYS CE  C 42.27 0.1  1     
589 43 LYS N  N 128.60 0.1  1          
591 44 ASP H  H 9.12 0.01  1     
592 44 ASP HA  H 4.23 0.01  1     
593 44 ASP HB2  H 2.67 0.01  2     
594 44 ASP HB3  H 2.86 0.01  2     
595 44 ASP C  C 175.40 0.1  1     
596 44 ASP CA  C 55.51 0.1  1     
597 44 ASP CB  C 39.67 0.1  1          
599 44 ASP N  N 125.10 0.1  1     
600 45 GLY H  H 7.30 0.01  1     
601 45 GLY HA2  H 4.13 0.01  1     
602 45 GLY HA3  H 3.47 0.01  1     
603 45 GLY C  C 173.60 0.1  1     
604 45 GLY CA  C 45.67 0.1  1     
605 45 GLY N  N 101.10 0.1  1     
606 46 ILE H  H 7.05 0.01  1     
607 46 ILE HA  H 4.68 0.01  1     
608 46 ILE HB  H 1.74 0.01  1     
609 46 ILE HG12  H 1.05 0.01  2     
610 46 ILE HG13  H 1.37 0.01  2     
611 46 ILE HG2  H 0.94 0.01  1     
612 46 ILE HD1  H 0.86 0.01  1     
613 46 ILE C  C 174.30 0.1  1     
614 46 ILE CA  C 59.17 0.1  1     
615 46 ILE CB  C 42.25 0.1  1     
616 46 ILE CG1  C 26.20 0.1  1     
617 46 ILE CG2  C 18.17 0.1  1     
618 46 ILE CD1  C 13.39 0.1  1     
619 46 ILE N  N 119.60 0.1  1     
620 47 PHE H  H 8.15 0.01  1     
621 47 PHE HA  H 4.72 0.01  1     
622 47 PHE HB2  H 2.80 0.01  2     
623 47 PHE HB3  H 3.32 0.01  2     
629 47 PHE C  C 175.00 0.1  1     
630 47 PHE CA  C 59.94 0.1  1     
631 47 PHE CB  C 39.61 0.1  1     
638 47 PHE N  N 119.60 0.1  1     
639 48 LYS H  H 8.90 0.01  1     
640 48 LYS HA  H 5.02 0.01  1     
641 48 LYS HB2  H 1.64 0.01  2     
642 48 LYS HB3  H 0.04 0.01  2     
643 48 LYS HG2  H 1.19 0.01  2     
644 48 LYS HG3  H 1.07 0.01  2     
645 48 LYS HD2  H 1.53 0.01  2     
646 48 LYS HD3  H 1.53 0.01  2     
647 48 LYS HE2  H 2.74 0.01  2     
648 48 LYS HE3  H 2.74 0.01  2     
650 48 LYS C  C 174.30 0.1  1     
651 48 LYS CA  C 54.57 0.1  1     
652 48 LYS CB  C 36.27 0.1  1     
653 48 LYS CG  C 26.50 0.1  1     
654 48 LYS CD  C 30.27 0.1  1     
655 48 LYS CE  C 41.70 0.1  1     
656 48 LYS N  N 126.50 0.1  1     
658 49 VAL H  H 7.99 0.01  1     
659 49 VAL HA  H 4.96 0.01  1     
660 49 VAL HB  H 1.54 0.01  1     
661 49 VAL HG1  H 0.62 0.01  2     
662 49 VAL HG2  H 0.78 0.01  2     
663 49 VAL C  C 175.70 0.1  1     
664 49 VAL CA  C 59.96 0.1  1     
665 49 VAL CB  C 36.12 0.1  1     
666 49 VAL CG1  C 21.83 0.1  2     
667 49 VAL CG2  C 23.44 0.1  2     
668 49 VAL N  N 115.50 0.1  1     
669 50 ARG H  H 9.85 0.01  1     
670 50 ARG HA  H 5.03 0.01  1     
671 50 ARG HB2  H 1.78 0.01  2    
672 50 ARG HB3  H 2.09 0.01  2     
673 50 ARG HG2  H 1.64 0.01  2     
674 50 ARG HG3  H 1.64 0.01  2      
675 50 ARG HD2  H 3.24 0.01  2     
676 50 ARG HD3  H 3.24 0.01  2      
682 50 ARG C  C 175.40 0.1  1     
683 50 ARG CA  C 54.04 0.1  1     
684 50 ARG CB  C 29.57 0.1  1     
685 50 ARG CG  C 27.25 0.1  1     
686 50 ARG CD  C 43.15 0.1  1     
688 50 ARG N  N 131.90 0.1  1     
692 51 LEU H  H 9.10 0.01  1     
693 51 LEU HA  H 4.44 0.01  1     
694 51 LEU HB2  H 1.38 0.01  2     
695 51 LEU HB3  H 1.69 0.01 2     
696 51 LEU HG  H 1.38 0.01  1     
697 51 LEU HD1  H 0.46 0.01  2     
698 51 LEU HD2  H 0.46 0.01  2    
699 51 LEU C  C 177.20 0.1  1     
700 51 LEU CA  C 54.78 0.1  1     
701 51 LEU CB  C 43.82 0.1  1     
702 51 LEU CG  C 26.31 0.1  1     
703 51 LEU CD1  C 23.51 0.1  2     
704 51 LEU CD2  C 23.51 0.1  2    
705 51 LEU N  N 130.50 0.1  1     
706 52 LEU H  H 8.43 0.01  1     
707 52 LEU HA  H 4.27 0.01  1     
708 52 LEU HB2  H 1.68 0.01  2     
709 52 LEU HB3  H 1.76 0.01  2     
710 52 LEU HG  H 1.68 0.01  1     
711 52 LEU HD1  H 0.98 0.01  2     
712 52 LEU HD2  H 0.98 0.01  2     
713 52 LEU C  C 178.60 0.1  1     
714 52 LEU CA  C 56.83 0.1  1     
715 52 LEU CB  C 40.81 0.1  1     
716 52 LEU CG  C 27.78 0.1  1     
717 52 LEU CD1  C 24.28 0.1  2     
718 52 LEU CD2  C 24.28 0.1  2    
719 52 LEU N  N 126.70 0.1  1     
720 53 GLY H  H 9.17 0.01  1     
721 53 GLY HA2  H 3.61 0.01  2     
722 53 GLY HA3  H 4.02 0.01  2     
723 53 GLY C  C 173.50 0.1  1     
724 53 GLY CA  C 45.32 0.1  1     
725 53 GLY N  N 115.40 0.1  1     
726 54 TYR H  H 7.78 0.01  1     
727 54 TYR HA  H 4.81 0.01  1     
728 54 TYR HB2  H 2.20 0.01  2     
729 54 TYR HB3  H 2.83 0.01  2     
730 54 TYR HD1  H 6.60 0.01  3     
731 54 TYR HD2  H 6.60 0.01  3     
735 54 TYR C  C 178.10 0.1  1     
736 54 TYR CA  C 56.47 0.1  1     
737 54 TYR CB  C 38.16 0.1  1     
739 54 TYR CD1  C 133.32 0.1  3     
740 54 TYR CD2  C 133.32 0.1  3     
744 54 TYR N  N 120.50 @  1     
745 55 GLU H  H 9.51 0.01  1     
746 55 GLU HA  H 4.03 0.01 1     
747 55 GLU HB2  H 2.02 0.01  2     
748 55 GLU HB3  H 2.09 0.01  2     
749 55 GLU HG2  H 2.31 0.01  2     
750 55 GLU HG3  H 2.58 0.01  2     
751 55 GLU C  C 177.00 0.1  1     
752 55 GLU CA  C 61.46 0.1  1     
753 55 GLU CB  C 28.64 0.1  1     
754 55 GLU CG  C 37.65 0.1  1     
756 55 GLU N  N 123.10 0.1  1     
757 56 GLY H  H 8.92 0.01  1     
758 56 GLY HA2  H 4.19 0.01  2     
759 56 GLY HA3  H 3.73 0.01  2     
760 56 GLY C  C 174.40 0.1  1     
761 56 GLY CA  C 45.31 0.1  1     
762 56 GLY N  N 107.80 0.1  1     
763 57 HIS H  H 7.88 0.01  1     
764 57 HIS HA  H 4.53 0.01  1     
765 57 HIS HB2  H 2.92 0.01  2     
766 57 HIS HB3  H 3.03 0.01  2     
768 57 HIS HD2  H 6.78 0.01  1     
771 57 HIS C  C 175.00 0.1  1     
772 57 HIS CA  C 57.73 0.1  1     
773 57 HIS CB  C 30.60 0.1  1     
775 57 HIS CD2  C 120.2 0.1  1     
777 57 HIS N  N 120.20 0.1  1     
780 58 GLU H  H 9.23 0.01  1     
781 58 GLU HA  H 4.62 0.01  1     
782 58 GLU HB2  H 1.88 0.01  2     
783 58 GLU HB3  H 2.06 0.01  2     
784 58 GLU HG2  H 2.18 0.01  2     
785 58 GLU HG3  H 2.18 0.01  2     
786 58 GLU C  C 175.0 0.1  1     
787 58 GLU CA  C 55.57 0.1  1     
788 58 GLU CB  C 30.45 0.1  1     
789 58 GLU CG  C 35.23 0.1  1     
791 58 GLU N  N 127.10 0.1  1     
792 59 CYS H  H 8.52 0.01  1     
793 59 CYS HA  H 5.82 0.01  1     
794 59 CYS HB2  H 3.88 0.01  2     
795 59 CYS HB3  H 2.39 0.01  2     
797 59 CYS C  C 174.50 0.1  1     
798 59 CYS CA  C 55.31 0.1  1     
799 59 CYS CB  C 28.99 0.1  1     
800 59 CYS N  N 124.6 0.1  1     
801 60 ILE H  H 8.87 0.01  1     
802 60 ILE HA  H 4.23 0.01  1     
803 60 ILE HB  H 2.21 0.01  1     
804 60 ILE HG12  H 1.64 0.01  2     
805 60 ILE HG13  H 1.39 0.01  2     
806 60 ILE HG2  H 0.96 0.01  1     
807 60 ILE HD1  H 0.90 0.01  1     
808 60 ILE C  C 174.70 0.1  1     
809 60 ILE CA  C 60.63 0.1  1     
810 60 ILE CB  C 39.53 0.1  1     
811 60 ILE CG1  C 28.44 0.1  1     
812 60 ILE CG2  C 18.43 0.1  1     
813 60 ILE CD1  C 12.55 0.1  1     
814 60 ILE N  N 124.10 0.1  1     
815 61 LEU H  H 7.40 0.01  1     
816 61 LEU HA  H 4.78 0.01  1     
817 61 LEU HB2  H 1.99 0.01  2     
818 61 LEU HB3  H 1.99 0.01  2     
819 61 LEU HG  H 1.63 0.01  1     
820 61 LEU HD1  H 1.21 0.01  2     
821 61 LEU HD2  H 0.81 0.01  2     
822 61 LEU C  C 176.50 0.1  1     
823 61 LEU CA  C 53.02 0.1  1     
824 61 LEU CB  C 42.40 0.1  1     
825 61 LEU CG  C 26.00 0.1  1     
826 61 LEU CD1  C 24.12 0.1  2     
827 61 LEU CD2  C 24.12 0.1  2     
828 61 LEU N  N 125.30 0.1  1     
829 62 LEU H  H 9.63 0.01  1     
830 62 LEU HA  H 4.04 0.01  1     
831 62 LEU HB2  H 1.75 0.01  2     
832 62 LEU HB3  H 1.50 0.01  2     
833 62 LEU HG  H 0.92 0.01  1     
834 62 LEU HD1  H 0.90 0.01  2     
835 62 LEU HD2  H 1.88 0.01  2    
836 62 LEU C  C 178.80 0.1  1     
837 62 LEU CA  C 57.97 0.1  1     
838 62 LEU CB  C 42.15 0.1  1     
839 62 LEU CG  C 25.86 0.1  1     
840 62 LEU CD1  C 22.31 0.1  2     
841 62 LEU CD2  C 22.31 0.1  2     
842 62 LEU N  N 128.80 0.1  1     
843 63 ASP H  H 8.93 0.01  1     
844 63 ASP HA  H 4.05 0.01  1     
845 63 ASP HB2  H 1.34 0.01  2     
846 63 ASP HB3  H 2.01 0.01  2     
847 63 ASP C  C 176.40 0.1  1     
848 63 ASP CA  C 55.91 0.1  1     
849 63 ASP CB  C 40.19 0.1  1     
851 63 ASP N  N 112.40 0.1  1     
852 64 TYR H  H 6.75 0.01  1     
853 64 TYR HA  H 4.91 0.01  1     
854 64 TYR HB2  H 2.45 0.01  2     
855 64 TYR HB3  H 3.48 0.01  2     
856 64 TYR HD1  H 6.71 0.01  3     
857 64 TYR HD2  H 6.71 0.01  3     
858 64 TYR HE1  H 6.51 0.01  3     
859 64 TYR HE2  H 6.51 0.01  3         
861 64 TYR C  C 175.70 0.1  1     
862 64 TYR CA  C 56.23 0.1  1     
863 64 TYR CB  C 39.45 0.1  1     
865 64 TYR CD1  C 132.62 0.1  3     
866 64 TYR CD2  C 132.62 0.1  3     
867 64 TYR CE1  C 117.8 0.1  3     
868 64 TYR CE2  C 117.8 0.1  3      
870 64 TYR N  N 111.10 0.1  1     
871 65 LEU H  H 7.20 0.01  1     
872 65 LEU HA  H 4.46 0.01  1     
873 65 LEU HB2  H 1.60 0.01  2     
874 65 LEU HB3  H 1.72 0.01  2     
875 65 LEU HG  H 1.85 0.01  1     
876 65 LEU HD1  H 1.04 0.01  2     
877 65 LEU HD2  H 1.04 0.01  2     
878 65 LEU C  C 177.80 0.1  1     
879 65 LEU CA  C 56.66 0.1  1     
880 65 LEU CB  C 43.20 0.1  1     
881 65 LEU CG  C 23.69 0.1  1     
882 65 LEU CD1  C 25.69 0.1  2     
883 65 LEU CD2  C 25.69 0.1  2     
884 65 LEU N  N 120.70 0.1  1     
885 66 ASN H  H 8.89 0.01  1     
886 66 ASN HA  H 4.79 0.01  1     
887 66 ASN HB2  H 2.78 0.01  1     
888 66 ASN HB3  H 2.92 0.01  1     
892 66 ASN CA  C 53.19 0.1  1     
893 66 ASN CB  C 37.84 0.1  1     
895 66 ASN N  N 115.70 0.1  1     
968 71 THR C  C 175.40 0.1  1     
973 72 LEU H  H 7.64 0.01  1     
974 72 LEU HA  H 3.97 0.01  1     
975 72 LEU HB2  H 1.76 0.01  2     
976 72 LEU HB3  H 1.76 0.01  2      
977 72 LEU HG  H 1.37 0.01  1     
978 72 LEU HD1  H 0.98 0.01 2     
979 72 LEU HD2  H 0.98 0.01  2      
980 72 LEU C  C 177.60 0.1  1     
981 72 LEU CA  C 58.42 0.1  1     
982 72 LEU CB  C 41.68 0.1  1     
983 72 LEU CG  C 24.76 0.1  1     
984 72 LEU CD1  C 22.97 0.1  2     
985 72 LEU CD2  C 22.97 0.1  2     
986 72 LEU N  N 123.40 0.1  1     
987 73 ASP H  H 8.62 0.01  1     
988 73 ASP HA  H 4.21 0.01  1     
989 73 ASP HB2  H 2.64 0.01  2     
990 73 ASP HB3  H 2.64 0.01  2    
991 73 ASP C  C 179.10 0.01  1     
992 73 ASP CA  C 58.16 0.1  1     
993 73 ASP CB  C 39.71 0.1  1     
995 73 ASP N  N 117.90 0.1  1     
996 74 ARG H  H 7.78 0.01  1     
997 74 ARG HA  H 4.15 0.01  1     
998 74 ARG HB2  H 1.93 0.01  2     
999 74 ARG HB3  H 1.93 0.01  2     
1000 74 ARG HG2  H 1.73 0.01  2     
1001 74 ARG HG3  H 1.73 0.01  2     
1002 74 ARG HD2  H 3.26 0.01  2     
1003 74 ARG HD3  H 3.26 0.01  2     
1009 74 ARG C  C 178.90 0.1  1     
1010 74 ARG CA  C 58.41 0.1  1     
1011 74 ARG CB  C 30.01 0.1  1     
1012 74 ARG CG  C 26.98 0.1  1     
1013 74 ARG CD  C 43.28 0.1 1     
1015 74 ARG N  N 119.90 0.1  1     
1019 75 LEU H  H 8.01 0.01  1     
1020 75 LEU HA  H 3.92 0.01  1     
1021 75 LEU HB2  H 1.78 0.01  2     
1022 75 LEU HB3  H 1.25 0.01  2     
1023 75 LEU HG  H 1.44 0.01  1     
1024 75 LEU HD1  H 0.51 0.01  2     
1025 75 LEU HD2  H 0.52 0.01  2     
1026 75 LEU C  C 179.10 0.1  1     
1027 75 LEU CA  C 57.72 0.1  1     
1028 75 LEU CB  C 42.38 0.1  1     
1029 75 LEU CG  C 23.40 0.1  1     
1030 75 LEU CD1  C 23.40 0.1  2     
1031 75 LEU CD2  C 23.77 0.1  2     
1032 75 LEU N  N 121.10 0.1  1     
1033 76 LYS H  H 8.70 0.01  1     
1034 76 LYS HA  H 3.90 0.01  1     
1035 76 LYS HB2  H 1.78 0.01  2     
1036 76 LYS HB3  H 1.78 0.01  2     
1037 76 LYS HG2  H 1.15 0.01  2     
1038 76 LYS HG3  H 1.15 0.01  2     
1039 76 LYS HD2  H 1.35 0.01  2     
1040 76 LYS HD3  H 1.35 0.01  2    
1044 76 LYS C  C 178.90 0.1  1     
1045 76 LYS CA  C 60.81 0.1  1     
1046 76 LYS CB  C 32.38 0.1  1     
1047 76 LYS CG  C 25.76 0.1  1     
1048 76 LYS CD  C 29.53 0.1  1     
1049 76 LYS CE  C 41.05 0.1  1     
1050 76 LYS N  N 118.00 0.1  1     
1052 77 GLU H  H 7.58 0.01  1     
1053 77 GLU HA  H 3.98 0.01  1     
1054 77 GLU HB2  H 2.14 0.01  2     
1055 77 GLU HB3  H 2.14 0.01  2      
1056 77 GLU HG2  H 2.28 0.01  2     
1057 77 GLU HG3  H 2.40 0.01  2     
1058 77 GLU C  C 178.20 0.1  1     
1059 77 GLU CA  C 59.05 0.1  1     
1060 77 GLU CB  C 29.57 0.1  1     
1061 77 GLU CG  C 36.09 0.1  1     
1063 77 GLU N  N 117.10 0.1  1     
1064 78 ARG H  H 7.61 0.01  1     
1065 78 ARG HA  H 4.26 0.01  1     
1066 78 ARG HB2  H 1.85 0.01  2     
1067 78 ARG HB3  H 1.85 0.01  2      
1068 78 ARG HG2  H 1.72 0.01  2     
1069 78 ARG HG3  H 1.72 0.01  2     
1070 78 ARG HD2  H 3.16 0.01  2     
1071 78 ARG HD3  H 3.16 0.01  2     
1077 78 ARG C  C 177.20 0.1  1     
1078 78 ARG CA  C 57.48 0.1  1     
1079 78 ARG CB  C 31.32 0.1  1     
1080 78 ARG CG  C 27.20 0.1  1     
1081 78 ARG CD  C 43.53 0.1  1     
1083 78 ARG N  N 115.80 0.1  1     
1087 79 LEU H  H 7.95 0.01  1     
1088 79 LEU HA  H 4.39 0.01  1     
1089 79 LEU HB2  H 1.13 0.01  2     
1090 79 LEU HB3  H 1.50 0.01  2     
1091 79 LEU HG  H 0.47 0.01  1     
1092 79 LEU HD1  H -0.25 0.01  2     
1093 79 LEU HD2  H 1.33 0.01  2     
1094 79 LEU C  C 177.80 0.1  1     
1095 79 LEU CA  C 56.22 0.1  1     
1096 79 LEU CB  C 46.01 0.1  1     
1097 79 LEU CG  C 22.63 0.1  1     
1098 79 LEU CD1  C 24.37 0.1  2     
1099 79 LEU CD2  C 24.37 0.1  2      
1100 79 LEU N  N 116.30 0.1  1     
1101 80 VAL H  H 8.16 0.01  1     
1102 80 VAL HA  H 3.41 0.01  1     
1103 80 VAL HB  H 2.31 0.01  1     
1104 80 VAL HG1  H 1.17 0.01  2     
1105 80 VAL HG2  H 1.17 0.01  2     
1106 80 VAL C  C 178.20 0.1  1     
1107 80 VAL CA  C 67.08 0.1  1     
1108 80 VAL CB  C 30.47 0.1  1     
1109 80 VAL CG1  C 21.75 0.1  2     
1110 80 VAL CG2  C 21.75 0.1  2     
1111 80 VAL N  N 116.50 0.1  1     
1112 81 GLY H  H 9.09 0.01  1     
1113 81 GLY HA2  H 4.40 0.01  2     
1114 81 GLY HA3  H 3.67 0.01  2     
1115 81 GLY C  C 173.60 0.1  1     
1116 81 GLY CA  C 45.19 0.1  1     
1117 81 GLY N  N 115.20 0.1  1     
1118 82 ARG H  H 8.02 0.01  1     
1119 82 ARG HA  H 4.44 0.01  1     
1120 82 ARG HB2  H 1.85 0.01  2     
1121 82 ARG HB3  H 1.92 0.01  2     
1122 82 ARG HG2  H 1.74 0.01  2     
1123 82 ARG HG3  H 1.59 0.01  2     
1124 82 ARG HD2  H 3.16 0.01  2     
1125 82 ARG HD3  H 3.16 0.01  2     
1131 82 ARG C  C 175.30 0.1  1     
1132 82 ARG CA  C 55.36 0.1  1     
1133 82 ARG CB  C 31.04 0.1  1     
1134 82 ARG CG  C 27.49 0.1  1     
1135 82 ARG CD  C 43.17 0.1  1     
1137 82 ARG N  N 120.70 0.1  1     
1141 83 VAL H  H 8.38 0.01  1     
1142 83 VAL HA  H 4.72 0.01  1     
1143 83 VAL HB  H 2.00 0.01  1     
1144 83 VAL HG1  H 0.89 0.01  2     
1145 83 VAL HG2  H 1.01 0.01  2     
1146 83 VAL C  C 176.90 0.1  1     
1147 83 VAL CA  C 61.80 0.1  1     
1148 83 VAL CB  C 31.35 0.1  1     
1149 83 VAL CG1  C 21.34 0.1  2     
1150 83 VAL CG2  C 21.34 0.1  2     
1151 83 VAL N  N 122.80 0.1  1     
1152 84 ILE H  H 9.09 0.01  1     
1153 84 ILE HA  H 4.91 0.01  1     
1154 84 ILE HB  H 1.92 0.01  1     
1155 84 ILE HG12  H 0.98 0.01  2     
1156 84 ILE HG13  H 1.31 0.01  2     
1157 84 ILE HG2  H 0.82 0.01  1     
1158 84 ILE HD1  H 0.64 0.01  1     
1159 84 ILE C  C 174.30 0.1  1     
1160 84 ILE CA  C 59.01 0.1  1     
1161 84 ILE CB  C 42.58 0.1  1     
1162 84 ILE CG1  C 24.64 0.1  1     
1163 84 ILE CG2  C 16.95 0.1  1     
1164 84 ILE CD1  C 15.31 0.1  1     
1165 84 ILE N  N 121.90 0.1  1     
1166 85 LYS H  H 8.50 0.01  1     
1167 85 LYS HA  H 4.75 0.01  1     
1168 85 LYS HB2  H 1.61 0.01  2     
1169 85 LYS HB3  H 1.92 0.01  2     
1170 85 LYS HG2  H 1.28 0.01  2     
1171 85 LYS HG3  H 1.28 0.01  2    
1172 85 LYS HD2  H 1.58 0.01  2     
1173 85 LYS HD3  H 1.58 0.01  2     
1174 85 LYS HE2  H 2.79 0.01  2     
1175 85 LYS HE3  H 2.79 0.01  2     
1177 85 LYS C  C 176.70 0.1  1     
1178 85 LYS CA  C 56.27 0.1  1     
1179 85 LYS CB  C 34.16 0.1  1     
1180 85 LYS CG  C 26.05 0.1  1     
1181 85 LYS CD  C 29.38 0.1  1     
1182 85 LYS CE  C 41.82 0.1  1     
1183 85 LYS N  N 120.30 0.1  1     
1185 86 THR H  H 8.53 0.01  1     
1186 86 THR HA  H 5.23 0.01  1     
1187 86 THR HB  H 3.93 0.01  1          
1189 86 THR HG2  H 0.94 0.01  1     
1190 86 THR C  C 171.70 0.1  1     
1191 86 THR CA  C 35.77 0.1  1     
1192 86 THR CB  C 48.66 0.1  1     
1193 86 THR CG2  C 22.84 0.1  1     
1194 86 THR N  N 113.20 0.1  1     
1195 87 ARG H  H 9.38 0.01  1     
1196 87 ARG HA  H 5.46 0.01  1     
1197 87 ARG HB2  H 1.42 0.01  2     
1198 87 ARG HB3  H 1.61 0.01  2     
1199 87 ARG HG2  H 1.40 0.01  2     
1200 87 ARG HG3  H 1.40 0.01  2     
1201 87 ARG HD2  H 3.10 0.01  2     
1202 87 ARG HD3  H 3.10 0.01  2    
1208 87 ARG C  C 176.20 0.1  1     
1209 87 ARG CA  C 53.47 0.1  1     
1210 87 ARG CB  C 34.10 0.1  1     
1211 87 ARG CG  C 27.42 0.1  1     
1212 87 ARG CD  C 43.71 0.1  1     
1214 87 ARG N  N 119.00 0.1  1     
1218 88 VAL H  H 8.57 0.01  1     
1219 88 VAL HA  H 3.89 0.01  1     
1220 88 VAL HB  H 2.20 0.01  1     
1221 88 VAL HG1  H 0.69 0.01  2     
1222 88 VAL HG2  H 0.58 0.01  2     
1223 88 VAL C  C 176.90 0.1  1     
1224 88 VAL CA  C 63.69 0.1  1     
1225 88 VAL CB  C 32.18 0.1  1     
1226 88 VAL CG1  C 22.34 0.1  2     
1227 88 VAL CG2  C 20.80 0.1  2     
1228 88 VAL N  N 123.80 0.1  1     
1229 89 VAL H  H 9.30 0.01  1     
1230 89 VAL HA  H 4.15 0.01  1     
1231 89 VAL HB  H 1.85 0.01  1     
1232 89 VAL HG1  H 0.97 0.01  2     
1233 89 VAL HG2  H 0.97 0.01  2     
1234 89 VAL C  C 175.30 0.1  1     
1235 89 VAL CA  C 64.04 0.1  1     
1236 89 VAL CB  C 32.50 0.1  1     
1237 89 VAL CG1  C 20.86 0.1  1     
1238 89 VAL CG2  C 21.98 0.1  1     
1239 89 VAL N  N 130.70 0.1  1     
1240 90 ARG H  H 7.62 0.01  1     
1241 90 ARG HA  H 4.52 0.01  1     
1242 90 ARG HB2  H 1.87 0.01  2     
1243 90 ARG HB3  H 1.95 0.01  2     
1244 90 ARG HG2  H 1.62 0.01  2     
1245 90 ARG HG3  H 1.52 0.01  2     
1246 90 ARG HD2  H 3.29 0.01  2     
1247 90 ARG HD3  H 3.29 0.01  2     
1253 90 ARG C  C 172.70 0.1  1     
1254 90 ARG CA  C 55.42 0.1  1     
1255 90 ARG CB  C 33.76 0.1  1     
1256 90 ARG CG  C 27.20 0.1  1     
1257 90 ARG CD  C 43.16 0.1  1     
1259 90 ARG N  N 116.80 0.1  1     
1263 91 ALA H  H 8.91 0.01  1     
1264 91 ALA HA  H 5.07 0.01  1     
1265 91 ALA HB  H 1.34 0.01  1     
1266 91 ALA C  C 175.10 0.1  1     
1267 91 ALA CA  C 51.84 0.1  1     
1268 91 ALA CB  C 22.04 0.1  1     
1269 91 ALA N  N 126.30 0.1  1     
1270 92 ASP H  H 8.90 0.01  1     
1271 92 ASP HA  H 4.87 0.01  1     
1272 92 ASP HB2  H 2.58 0.01  2     
1273 92 ASP HB3  H 2.85 0.01  2     
1274 92 ASP C  C 175.90 0.1  1     
1275 92 ASP CA  C 53.09 0.1  1     
1276 92 ASP CB  C 42.09 0.1  1     
1278 92 ASP N  N 123.80 0.1  1     
1279 93 GLY H  H 8.78 0.01 1     
1280 93 GLY HA2  H 4.02 0.01  2     
1281 93 GLY HA3  H 3.66 0.01  2     
1282 93 GLY C  C 174.80 0.1  1     
1283 93 GLY CA  C 46.87 0.1  1     
1284 93 GLY N  N 114.50 0.1  1     
1285 94 LEU H  H 8.59 0.01  1     
1286 94 LEU HA  H 3.91 0.01  1     
1287 94 LEU HB2  H 1.26 0.01  2     
1288 94 LEU HB3  H 1.28 0.01  2     
1289 94 LEU HG  H 0.25 0.01  1     
1290 94 LEU HD1  H 0.70 0.01  2     
1291 94 LEU HD2  H 0.70 0.01  2     
1292 94 LEU C  C 175.40 0.1  1     
1293 94 LEU CA  C 55.49 0.1  1     
1294 94 LEU CB  C 42.09 0.1  1     
1295 94 LEU CG  C 21.91 0.1  1     
1296 94 LEU CD1  C 24.72 0.1  2     
1297 94 LEU CD2  C 24.72 0.1  2      
1298 94 LEU N  N 126.40 0.1  1     
1299 95 TYR H  H 7.88 0.01  1     
1300 95 TYR HA  H 5.15 0.01  1     
1301 95 TYR HB2  H 3.08 0.01  2     
1302 95 TYR HB3  H 3.14 0.01  2     
1303 95 TYR HD1  H 7.29 0.01  3     
1304 95 TYR HD2  H 7.29 0.01  3    
1305 95 TYR HE1  H 6.85 0.01  3     
1306 95 TYR HE2  H 6.85 0.01  3     
1308 95 TYR C  C 175.40 0.1  1     
1309 95 TYR CA  C 58.05 0.1  @     
1310 95 TYR CB  C 39.26 0.1  @     
1312 95 TYR CD1  C 133.5 0.1  3     
1313 95 TYR CD2  C 133.5 0.1  3     
1314 95 TYR CE1  C 118.3 0.1  3     
1315 95 TYR CE2  C 118.3 0.1  3      
1317 95 TYR N  N 119.20 0.1  1     
1318 96 VAL H  H 8.82 0.01  1     
1319 96 VAL HA  H 4.73 0.01  1     
1320 96 VAL HB  H 2.10 0.01  1     
1321 96 VAL HG1  H 0.85 0.01  2     
1322 96 VAL HG2  H 0.85 0.01  2     
1323 96 VAL C  C 174.40 0.1  1     
1324 96 VAL CA  C 60.75 0.1  1     
1325 96 VAL CB  C 36.20 0.1  1     
1326 96 VAL CG1  C 22.28 0.1  2     
1327 96 VAL CG2  C 22.28 0.1  2     
1328 96 VAL N  N 126.10 0.1  1     
1329 97 ASP H  H 8.90 0.01  1     
1330 97 ASP HA  H 5.39 0.01  1     
1331 97 ASP HB2  H 2.50 0.01  2     
1332 97 ASP HB3  H 2.68 0.01  2     
1333 97 ASP C  C 175.40 0.1  1     
1334 97 ASP CA  C 53.59 0.1  1     
1335 97 ASP CB  C 43.09 0.1  1     
1337 97 ASP N  N 126.60 0.1  1     
1338 98 LEU H  H 9.07 0.01  1     
1339 98 LEU HA  H 5.37 0.01  1     
1340 98 LEU HB2  H 1.34 0.01  2     
1341 98 LEU HB3  H 1.71 0.01  2     
1342 98 LEU HG  H 1.49 0.01  1     
1343 98 LEU HD1  H 0.78 0.01  2     
1344 98 LEU HD2  H 0.78 0.01  2    
1345 98 LEU C  C 175.50 0.1  1     
1346 98 LEU CA  C 53.08 0.1  1     
1347 98 LEU CB  C 46.90 0.1  1     
1348 98 LEU CG  C 26.53 0.1  1     
1349 98 LEU CD1  C 24.41 0.1  2     
1350 98 LEU CD2  C 24.41 0.1  2     
1351 98 LEU N  N 121.90 0.1  1     
1352 99 ARG H  H 8.70 0.01  1     
1353 99 ARG HA  H 5.19 0.01  1     
1354 99 ARG HB2  H 1.65 0.01  2     
1355 99 ARG HB3  H 1.92 0.01  2     
1356 99 ARG HG2  H 1.71 0.01  2     
1357 99 ARG HG3  H 1.71 0.01  2     
1358 99 ARG HD2  H 3.32 0.01  2     
1359 99 ARG HD3  H 3.32 0.01  2      
1365 99 ARG C  C 176.20 0.1  1     
1366 99 ARG CA  C 53.55 0.1  1     
1367 99 ARG CB  C 34.08 0.1  1     
1368 99 ARG CG  C 28.25 0.1  1     
1369 99 ARG CD  C 43.19 0.1  1     
1371 99 ARG N  N 117.90 0.1  1     
1375 100 ARG H  H 10.14 0.01  1     
1376 100 ARG HA  H 4.11 0.01  1     
1377 100 ARG HB2  H 1.63 0.01  2     
1378 100 ARG HB3  H 1.73 0.01  2     
1379 100 ARG HG2  H 1.19 0.01  2     
1380 100 ARG HG3  H 1.19 0.01  2      
1381 100 ARG HD2  H 2.98 0.01  2     
1382 100 ARG HD3  H 2.98 0.01  2     
1388 100 ARG C  C 174.80 0.1  1     
1389 100 ARG CA  C 58.46 0.1  1     
1390 100 ARG CB  C 30.20 0.1  1     
1391 100 ARG CG  C 27.79 0.1  1     
1392 100 ARG CD  C 43.83 0.1  1     
1394 100 ARG N  N 124.10 0.1  1     
1398 101 PHE H  H 8.20 0.01  1     
1399 101 PHE HA  H 4.57 0.01  1     
1400 101 PHE HB2  H 2.60 0.01  2     
1401 101 PHE HB3  H 2.70 0.01  2     
1402 101 PHE HD1  H 7.36 0.01  3     
1403 101 PHE HD2  H 7.36 0.01  3    
1404 101 PHE HE1  H 7.05 0.01  3     
1405 101 PHE HE2  H 7.05 0.01  3      
1407 101 PHE C  C 172.90 0.1  1     
1408 101 PHE CA  C 57.22 0.1  1     
1409 101 PHE CB  C 40.85 0.1  1     
1411 101 PHE CD1  C 131.68 0.1  3     
1412 101 PHE CD2  C 131.68 0.1  3     
1413 101 PHE CE1  C 131.68 0.1  3     
1414 101 PHE CE2  C 131.68 0.1  3     
1416 101 PHE N  N 125.60 0.1  1     
1417 102 PHE H  H 7.42 0.01  1     
1418 102 PHE HA  H 4.23 0.01  1     
1419 102 PHE HB2  H 2.75 0.01  2     
1420 102 PHE HB3  H 3.05 0.01  2     
1427 102 PHE CA  C 59.68 0.1  1     
1428 102 PHE CB  C 40.96 0.1  1     
1435 102 PHE N  N 129.90 0.1  1     
           
stop_           



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