NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20865 |
2gmg   |
7074 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 16 and name HA )
( resid 20 and name HG )
6.00 4.20 0.00 peak 15 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 16 and name HA )
! ( resid 17 and name HB )
! 6.00 4.20 0.00 peak 16 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 27 and name HA )
( resid 31 and name HN )
6.00 4.20 0.00 peak 30 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 14 and name HN )
6.00 4.20 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 33 and name HA )
! ( resid 35 and name HN )
! 6.00 4.20 0.00 peak 69 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 88 and name HA )
( resid 89 and name HA )
6.00 4.20 0.00 peak 77 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 67 and name HA )
6.00 4.20 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 76 and name HA )
6.00 4.20 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 76 and name HA )
6.00 4.20 0.00 peak 150 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HB )
( resid 53 and name HA )
6.00 4.20 0.00 peak 160 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 79 and name HB# )
6.00 4.20 0.00 peak 166 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HA )
! ( resid 102 and name HG )
! 6.00 4.20 0.00 peak 174 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HA )
( resid 56 and name HB# )
6.00 4.20 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HA )
( resid 49 and name HN )
6.00 4.20 0.00 peak 176 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 79 and name HB# )
! ( resid 81 and name HA )
! 6.00 4.20 0.00 peak 185 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HA )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 186 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HA )
( resid 33 and name HG2# )
6.00 4.20 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HG )
5.78 3.98 0.00 peak 276 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HA )
( resid 49 and name HN )
6.00 4.20 0.00 peak 277 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HB1 )
6.00 4.20 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HA )
( resid 74 and name HN )
6.00 4.20 0.00 peak 289 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 83 and name HA )
6.00 4.20 0.00 peak 299 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HA )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 300 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 58 and name HA )
( resid 60 and name HN )
6.00 4.20 0.00 peak 309 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HA )
( resid 58 and name HA )
6.00 4.20 0.00 peak 310 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HA )
! ( resid 20 and name HG )
! 6.00 4.20 0.00 peak 324 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HA )
( resid 51 and name HA )
6.00 4.20 0.00 peak 346 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 45 and name HG2# )
! ( resid 48 and name HA )
! 6.00 4.20 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 33 and name HD1# )
6.00 4.20 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 77 and name HA )
6.00 4.20 0.00 peak 364 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HA )
( resid 33 and name HB )
6.00 4.20 0.00 peak 372 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HA )
( resid 30 and name HD1# )
6.00 4.20 0.00 peak 375 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HA )
( resid 101 and name HB1 )
6.00 4.20 0.00 peak 386 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HA )
( resid 101 and name HA )
6.00 4.20 0.00 peak 389 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HB )
( resid 100 and name HA )
6.00 4.20 0.00 peak 391 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HA )
( resid 101 and name HB2 )
6.00 4.20 0.00 peak 391 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD1# )
( resid 100 and name HA )
6.00 4.20 0.00 peak 392 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD2# )
( resid 100 and name HA )
6.00 4.20 0.00 peak 392 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HD1# )
( resid 100 and name HA )
6.00 4.20 0.00 peak 393 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG )
( resid 20 and name HA )
6.00 4.20 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA )
( resid 101 and name HA )
6.00 4.20 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA )
( resid 102 and name HN )
6.00 4.20 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 36 and name HE# )
6.00 4.20 0.00 peak 449 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HA )
( resid 27 and name HB2 )
6.00 4.20 0.00 peak 459 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 59 and name HA )
6.00 4.20 0.00 peak 467 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 92 and name HA )
! ( resid 94 and name HA )
! 6.00 4.20 0.00 peak 504 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HA )
( resid 95 and name HB )
6.00 4.20 0.00 peak 510 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HA )
( resid 64 and name HD1# )
6.00 4.20 0.00 peak 517 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HA )
( resid 64 and name HD2# )
6.00 4.20 0.00 peak 517 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HA )
6.00 4.20 0.00 peak 536 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 104 and name HA )
6.00 4.20 0.00 peak 540 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HA )
( resid 102 and name HA )
6.00 4.20 0.00 peak 548 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 79 and name HA )
6.00 4.20 0.00 peak 566 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HD1 )
( resid 79 and name HA )
6.00 4.20 0.00 peak 567 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB2 )
( resid 79 and name HA )
6.00 4.20 0.00 peak 568 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HA )
( resid 101 and name HA )
6.00 4.20 0.00 peak 604 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HG )
! ( resid 24 and name HA )
! 6.00 4.20 0.00 peak 608 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 65 and name HB )
! ( resid 67 and name HD2 )
! 6.00 4.20 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HD2 )
( resid 79 and name HB# )
6.00 4.20 0.00 peak 617 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA1 )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 665 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA1 )
( resid 101 and name HE# )
6.00 4.20 0.00 peak 668 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA2 )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 673 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA2 )
( resid 101 and name HE# )
6.00 4.20 0.00 peak 675 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HB2 )
( resid 50 and name HE# )
5.34 3.54 0.00 peak 817 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB1 )
( resid 33 and name HG2# )
6.00 4.20 0.00 peak 854 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB1 )
( resid 81 and name HB )
6.00 4.20 0.00 peak 890 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HB )
( resid 79 and name HB# )
6.00 4.20 0.00 peak 940 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HB2 )
6.00 4.20 0.00 peak 944 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB2 )
( resid 81 and name HB )
6.00 4.20 0.00 peak 947 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 77 and name HB1 )
6.00 4.20 0.00 peak 970 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HG )
! ( resid 82 and name HB2 )
! 6.00 4.20 0.00 peak 1003 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HB )
! ( resid 93 and name HA )
! 6.00 4.20 0.00 peak 1010 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HA )
( resid 83 and name HB )
6.00 4.20 0.00 peak 1013 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HA )
( resid 55 and name HB )
6.00 4.20 0.00 peak 1035 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HA )
( resid 33 and name HB )
6.00 4.20 0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 33 and name HB )
! ( resid 34 and name HA )
! 6.00 4.20 0.00 peak 1037 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HB )
( resid 34 and name HN )
6.00 4.20 0.00 peak 1039 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HA )
( resid 52 and name HB )
6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 61 and name HB1 )
6.00 4.20 0.00 peak 1050 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 18 and name HN )
6.00 4.20 0.00 peak 1055 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HA )
( resid 16 and name HB )
6.00 4.20 0.00 peak 1056 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 61 and name HB2 )
6.00 4.20 0.00 peak 1060 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HB2 )
( resid 62 and name HN )
6.00 4.20 0.00 peak 1061 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HG2 )
! ( resid 81 and name HG2# )
! 6.00 4.20 0.00 peak 1092 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HG1 )
! ( resid 81 and name HG2# )
! 6.00 4.20 0.00 peak 1112 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HG1 )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 1112 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HB )
( resid 46 and name HA )
6.00 4.20 0.00 peak 1154 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 62 and name HB )
6.00 4.20 0.00 peak 1165 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG2 )
( resid 104 and name HA )
6.00 4.20 0.00 peak 1279 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG1 )
( resid 104 and name HA )
6.00 4.20 0.00 peak 1283 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 98 and name HB2 )
6.00 4.20 0.00 peak 1321 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 51 and name HB )
( resid 52 and name HN )
6.00 4.20 0.00 peak 1336 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HA )
( resid 51 and name HB )
6.00 4.20 0.00 peak 1341 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HB1 )
( resid 33 and name HB )
6.00 4.20 0.00 peak 1464 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 44 and name HN )
! ( resid 47 and name HB2 )
! 6.00 4.20 0.00 peak 1515 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HB2 )
( resid 48 and name HA )
6.00 4.20 0.00 peak 1516 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HN )
! ( resid 102 and name HD1# )
! 6.00 4.20 0.00 peak 1611 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HA )
( resid 102 and name HD1# )
6.00 4.20 0.00 peak 1613 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HA )
( resid 64 and name HG )
6.00 4.20 0.00 peak 1651 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HG2 )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 1668 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HG )
( resid 65 and name HN )
6.00 4.20 0.00 peak 1705 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HN )
( resid 64 and name HG )
6.00 4.20 0.00 peak 1706 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HA )
( resid 49 and name HG )
6.00 4.20 0.00 peak 1708 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 20 and name HD1# )
6.00 4.20 0.00 peak 1740 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HD1# )
6.00 4.20 0.00 peak 1742 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 20 and name HD1# )
6.00 4.20 0.00 peak 1749 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 30 and name HD1# )
6.00 4.20 0.00 peak 1749 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD1# )
( resid 100 and name HB1 )
6.00 4.20 0.00 peak 1750 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD1# )
( resid 100 and name HB2 )
6.00 4.20 0.00 peak 1751 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 84 and name HG1 )
6.00 4.20 0.00 peak 1770 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HG )
( resid 81 and name HB )
6.00 4.20 0.00 peak 1775 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HN )
( resid 46 and name HG )
6.00 4.20 0.00 peak 1776 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HG )
! ( resid 82 and name HN )
! 6.00 4.20 0.00 peak 1777 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HG )
! ( resid 82 and name HA )
! 6.00 4.20 0.00 peak 1779 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HG )
! ( resid 82 and name HB1 )
! 6.00 4.20 0.00 peak 1781 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HA )
( resid 34 and name HD1# )
6.00 4.20 0.00 peak 1819 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 34 and name HD1# )
6.00 4.20 0.00 peak 1820 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HD1# )
6.00 4.20 0.00 peak 1829 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD1# )
( resid 30 and name HA )
6.00 4.20 0.00 peak 1830 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HD1# )
6.00 4.20 0.00 peak 1831 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD1# )
! ( resid 101 and name HE# )
! 6.00 4.20 0.00 peak 1832 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD1# )
! ( resid 20 and name HG )
! 6.00 4.20 0.00 peak 1833 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 84 and name HG2 )
6.00 4.20 0.00 peak 1839 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 91 and name HN )
( resid 91 and name HG2 )
6.00 4.20 0.00 peak 1871 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HN )
( resid 49 and name HD1# )
6.00 4.20 0.00 peak 1893 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD1# )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 1894 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD1# )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 1895 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HA )
( resid 49 and name HD1# )
6.00 4.20 0.00 peak 1896 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD1# )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 1902 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 89 and name HG1 )
6.00 4.20 0.00 peak 1937 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD2# )
( resid 100 and name HB2 )
6.00 4.20 0.00 peak 1941 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HN )
! ( resid 102 and name HD2# )
! 6.00 4.20 0.00 peak 1958 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HA )
( resid 102 and name HD2# )
6.00 4.20 0.00 peak 1959 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 89 and name HG2 )
6.00 4.20 0.00 peak 1973 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 20 and name HD2# )
6.00 4.20 0.00 peak 1979 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HD2# )
6.00 4.20 0.00 peak 1984 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 20 and name HD2# )
6.00 4.20 0.00 peak 1985 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD2# )
( resid 100 and name HB1 )
6.00 4.20 0.00 peak 1987 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD2# )
( resid 31 and name HN )
6.00 4.20 0.00 peak 1996 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HD# )
( resid 30 and name HD2# )
6.00 4.20 0.00 peak 1997 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HA )
( resid 30 and name HD2# )
6.00 4.20 0.00 peak 2000 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 30 and name HD2# )
6.00 4.20 0.00 peak 2001 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HD2# )
6.00 4.20 0.00 peak 2022 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD2# )
! ( resid 101 and name HE# )
! 6.00 4.20 0.00 peak 2023 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD2# )
( resid 20 and name HG )
6.00 4.20 0.00 peak 2025 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD2# )
( resid 30 and name HA )
6.00 4.20 0.00 peak 2030 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HA )
( resid 34 and name HD2# )
6.00 4.20 0.00 peak 2031 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 34 and name HD2# )
6.00 4.20 0.00 peak 2044 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD2# )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 2050 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD2# )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 2051 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HA )
( resid 49 and name HD2# )
6.00 4.20 0.00 peak 2053 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HN )
( resid 11 and name HG2# )
6.00 4.20 0.00 peak 2062 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG2# )
( resid 14 and name HN )
6.00 4.20 0.00 peak 2063 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG2# )
( resid 15 and name HN )
6.00 4.20 0.00 peak 2063 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HD2# )
6.00 4.20 0.00 peak 2080 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HN )
( resid 76 and name HG1# )
6.00 4.20 0.00 peak 2086 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 76 and name HG1# )
6.00 4.20 0.00 peak 2087 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HG2# )
( resid 77 and name HN )
6.00 4.20 0.00 peak 2093 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 76 and name HG2# )
6.00 4.20 0.00 peak 2094 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HG1# )
! ( resid 64 and name HA )
! 6.00 4.20 0.00 peak 2117 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HG2# )
! ( resid 64 and name HA )
! 6.00 4.20 0.00 peak 2117 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG1# )
( resid 63 and name HA )
6.00 4.20 0.00 peak 2126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG2# )
( resid 63 and name HA )
6.00 4.20 0.00 peak 2126 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HN )
! ( resid 81 and name HG2# )
! 6.00 4.20 0.00 peak 2135 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HG2# )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 2137 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HG2# )
( resid 82 and name HA )
6.00 4.20 0.00 peak 2138 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HA )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 2140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HA )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 2141 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD2# )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 2145 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD1# )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 2146 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HE# )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 2147 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 2151 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 98 and name HA )
6.00 4.20 0.00 peak 2158 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 97 and name HA )
6.00 4.20 0.00 peak 2160 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 96 and name HB1 )
6.00 4.20 0.00 peak 2164 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 96 and name HB2 )
6.00 4.20 0.00 peak 2165 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 49 and name HG )
6.00 4.20 0.00 peak 2171 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 16 and name HG2# )
6.00 4.20 0.00 peak 2176 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 17 and name HG2# )
6.00 4.20 0.00 peak 2176 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 49 and name HA )
6.00 4.20 0.00 peak 2177 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 20 and name HG )
6.00 4.20 0.00 peak 2179 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 49 and name HD2# )
6.00 4.20 0.00 peak 2183 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HB# )
( resid 99 and name HN )
6.00 4.20 0.00 peak 2197 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HB# )
( resid 80 and name HA )
6.00 4.20 0.00 peak 2200 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HG1 )
6.00 4.20 0.00 peak 2202 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 79 and name HB# )
! ( resid 98 and name HD1 )
! 6.00 4.20 0.00 peak 2202 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HB# )
( resid 98 and name HB2 )
6.00 4.20 0.00 peak 2203 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HG2# )
! ( resid 93 and name HA )
! 6.00 4.20 0.00 peak 2206 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 97 and name HA )
6.00 4.20 0.00 peak 2208 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 84 and name HD1 )
6.00 4.20 0.00 peak 2209 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 84 and name HD2 )
6.00 4.20 0.00 peak 2210 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2217 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HG2# )
! ( resid 92 and name HA )
! 6.00 4.20 0.00 peak 2219 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 26 and name HN )
! ( resid 33 and name HG2# )
! 6.00 4.20 0.00 peak 2221 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HN )
( resid 33 and name HG2# )
6.00 4.20 0.00 peak 2222 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB2 )
( resid 33 and name HG2# )
6.00 4.20 0.00 peak 2230 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HG2# )
( resid 34 and name HG )
6.00 4.20 0.00 peak 2230 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 33 and name HG2# )
6.00 4.20 0.00 peak 2231 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 33 and name HG2# )
! ( resid 35 and name HN )
! 6.00 4.20 0.00 peak 2231 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 21 and name HA )
! ( resid 61 and name HE# )
! 6.00 4.20 0.00 peak 2239 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 104 and name HA )
6.00 4.20 0.00 peak 2239 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 61 and name HE# )
! ( resid 62 and name HA )
! 6.00 4.20 0.00 peak 2240 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 62 and name HN )
6.00 4.20 0.00 peak 2242 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 104 and name HN )
6.00 4.20 0.00 peak 2242 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HN )
( resid 61 and name HE# )
6.00 4.20 0.00 peak 2243 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HN )
( resid 61 and name HE# )
6.00 4.20 0.00 peak 2244 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 60 and name HN )
! ( resid 61 and name HE# )
! 6.00 4.20 0.00 peak 2244 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 61 and name HE# )
6.00 4.20 0.00 peak 2245 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 61 and name HE# )
6.00 4.20 0.00 peak 2247 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 102 and name HD1# )
6.00 4.20 0.00 peak 2255 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 102 and name HD2# )
6.00 4.20 0.00 peak 2256 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 31 and name HB# )
! ( resid 33 and name HD1# )
! 6.00 4.20 0.00 peak 2270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HG2 )
6.00 4.20 0.00 peak 2275 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HE# )
6.00 4.20 0.00 peak 2276 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HB1 )
6.00 4.20 0.00 peak 2277 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 61 and name HB2 )
6.00 4.20 0.00 peak 2278 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HG2# )
( resid 56 and name HN )
6.00 4.20 0.00 peak 2286 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HG2# )
( resid 56 and name HA )
6.00 4.20 0.00 peak 2288 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HA )
( resid 55 and name HG2# )
6.00 4.20 0.00 peak 2289 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 63 and name HG )
6.00 4.20 0.00 peak 2295 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 53 and name HA )
6.00 4.20 0.00 peak 2297 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HA )
( resid 52 and name HG2# )
6.00 4.20 0.00 peak 2298 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 56 and name HA )
6.00 4.20 0.00 peak 2298 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 56 and name HB# )
6.00 4.20 0.00 peak 2301 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HN )
( resid 52 and name HG2# )
6.00 4.20 0.00 peak 2303 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 102 and name HG )
6.00 4.20 0.00 peak 2306 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HN )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2311 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2312 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HA )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2314 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 97 and name HA )
6.00 4.20 0.00 peak 2316 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 84 and name HD1 )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2317 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 84 and name HD2 )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2318 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 96 and name HB1 )
6.00 4.20 0.00 peak 2320 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 96 and name HB2 )
6.00 4.20 0.00 peak 2321 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 2322 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 36 and name HA )
( resid 36 and name HE# )
6.00 4.20 0.00 peak 2335 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HA )
( resid 36 and name HE# )
6.00 4.20 0.00 peak 2336 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 33 and name HA )
! ( resid 36 and name HE# )
! 6.00 4.20 0.00 peak 2337 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 33 and name HG2# )
! ( resid 36 and name HE# )
! 6.00 4.20 0.00 peak 2345 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 16 and name HD1# )
6.00 4.20 0.00 peak 2347 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 99 and name HA )
6.00 4.20 0.00 peak 2353 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 79 and name HA )
6.00 4.20 0.00 peak 2355 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 98 and name HD1 )
6.00 4.20 0.00 peak 2356 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 79 and name HB# )
6.00 4.20 0.00 peak 2359 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 65 and name HD1# )
6.00 4.20 0.00 peak 2360 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 65 and name HG2# )
! ( resid 67 and name HD1 )
! 6.00 4.20 0.00 peak 2361 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 65 and name HG2# )
! ( resid 81 and name HB )
! 6.00 4.20 0.00 peak 2362 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HN )
( resid 33 and name HD1# )
6.00 4.20 0.00 peak 2371 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HD1# )
! ( resid 93 and name HA )
! 6.00 4.20 0.00 peak 2393 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HA )
( resid 83 and name HD1# )
6.00 4.20 0.00 peak 2394 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HD1# )
! ( resid 92 and name HA )
! 6.00 4.20 0.00 peak 2395 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 97 and name HA )
6.00 4.20 0.00 peak 2396 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 84 and name HD1 )
6.00 4.20 0.00 peak 2397 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 84 and name HD2 )
6.00 4.20 0.00 peak 2398 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 97 and name HB2 )
6.00 4.20 0.00 peak 2400 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 97 and name HB1 )
6.00 4.20 0.00 peak 2401 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HE# )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 2411 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 65 and name HB )
! ( resid 81 and name HD1# )
! 6.00 4.20 0.00 peak 2412 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HN )
! ( resid 81 and name HD1# )
! 6.00 4.20 0.00 peak 2413 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 50 and name HN )
! ( resid 81 and name HD1# )
! 6.00 4.20 0.00 peak 2414 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HA )
! ( resid 81 and name HD1# )
! 6.00 4.20 0.00 peak 2415 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HD2# )
! ( resid 81 and name HD1# )
! 6.00 4.20 0.00 peak 2418 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HG2 )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 2421 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HD1# )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 2422 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HD1# )
( resid 80 and name HA )
6.00 4.20 0.00 peak 2423 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HA )
( resid 65 and name HD1# )
6.00 4.20 0.00 peak 2424 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HD1# )
( resid 96 and name HN )
6.00 4.20 0.00 peak 2426 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HN )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2428 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2429 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2429 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 86 and name HA )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2430 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HA )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2430 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HD1# )
( resid 96 and name HA )
6.00 4.20 0.00 peak 2432 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2436 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 92 and name HA )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2437 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HA )
( resid 45 and name HD1# )
6.00 4.20 0.00 peak 2439 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 95 and name HD1# )
5.99 4.19 0.00 peak 2444 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HA )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 2456 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 103 and name HA )
6.00 4.20 0.00 peak 2465 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 49 and name HD1# )
6.00 4.20 0.00 peak 2477 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 66 and name HN )
6.00 4.20 0.00 peak 8 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HN )
( resid 96 and name HN )
6.00 4.20 0.00 peak 16 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 96 and name HN )
6.00 4.20 0.00 peak 24 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB2 )
( resid 71 and name HN )
6.00 4.20 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 71 and name HN )
! ( resid 95 and name HB )
! 6.00 4.20 0.00 peak 29 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 71 and name HN )
! ( resid 95 and name HD1# )
! 6.00 4.20 0.00 peak 32 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB1 )
( resid 71 and name HN )
6.00 4.20 0.00 peak 33 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 104 and name HN )
( resid 105 and name HN )
6.00 4.20 0.00 peak 37 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 105 and name HN )
6.00 4.20 0.00 peak 38 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 77 and name HN )
6.00 4.20 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 49 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 75 and name HA )
6.00 4.20 0.00 peak 57 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 76 and name HA )
6.00 4.20 0.00 peak 57 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 76 and name HN )
! ( resid 77 and name HB1 )
! 6.00 4.20 0.00 peak 60 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 93 and name HA )
! ( resid 94 and name HE1 )
! 6.00 4.20 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HN )
( resid 91 and name HA )
6.00 4.20 0.00 peak 65 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 87 and name HN )
6.00 4.20 0.00 peak 68 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 86 and name HN )
( resid 87 and name HN )
6.00 4.20 0.00 peak 68 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HN )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HB1 )
( resid 76 and name HN )
6.00 4.20 0.00 peak 77 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HB2 )
( resid 76 and name HN )
6.00 4.20 0.00 peak 78 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 76 and name HN )
6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HN )
( resid 76 and name HG2# )
6.00 4.20 0.00 peak 85 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 92 and name HA )
( resid 94 and name HN )
6.00 4.20 0.00 peak 90 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HN )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HN )
( resid 94 and name HD1 )
6.00 4.20 0.00 peak 95 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HN )
( resid 64 and name HN )
6.00 4.20 0.00 peak 99 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HB )
( resid 63 and name HN )
6.00 4.20 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HN )
( resid 63 and name HG )
6.00 4.20 0.00 peak 104 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 63 and name HN )
6.00 4.20 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HA )
( resid 63 and name HN )
6.00 4.20 0.00 peak 107 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 72 and name HN )
! ( resid 75 and name HN )
! 6.00 4.20 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HN )
( resid 75 and name HN )
6.00 4.20 0.00 peak 108 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HN )
( resid 76 and name HN )
6.00 4.20 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 75 and name HN )
6.00 4.20 0.00 peak 118 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 102 and name HN )
6.00 4.20 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HB1 )
( resid 95 and name HN )
6.00 4.20 0.00 peak 134 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HN )
( resid 95 and name HG1# )
6.00 4.20 0.00 peak 135 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 97 and name HN )
6.00 4.20 0.00 peak 144 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HA )
! ( resid 97 and name HN )
! 6.00 4.20 0.00 peak 145 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HN )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 148 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HN )
( resid 95 and name HN )
6.00 4.20 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HD1 )
( resid 95 and name HN )
6.00 4.20 0.00 peak 150 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HB2 )
( resid 95 and name HN )
6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HE3 )
( resid 95 and name HN )
6.00 4.20 0.00 peak 153 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HN )
( resid 78 and name HN )
6.00 4.20 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 77 and name HN )
6.00 4.20 0.00 peak 160 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HB )
( resid 77 and name HN )
6.00 4.20 0.00 peak 164 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HG1# )
( resid 77 and name HN )
6.00 4.20 0.00 peak 165 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HN )
( resid 72 and name HN )
6.00 4.20 0.00 peak 167 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HN )
( resid 73 and name HA )
6.00 4.20 0.00 peak 177 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 77 and name HB1 )
6.00 4.20 0.00 peak 197 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 80 and name HN )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 205 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 80 and name HN )
6.00 4.20 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HB# )
( resid 80 and name HN )
6.00 4.20 0.00 peak 217 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HD1# )
( resid 80 and name HN )
6.00 4.20 0.00 peak 218 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 80 and name HN )
6.00 4.20 0.00 peak 219 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HB )
( resid 80 and name HN )
6.00 4.20 0.00 peak 221 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 89 and name HN )
! ( resid 91 and name HN )
! 6.00 4.20 0.00 peak 224 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HA )
( resid 89 and name HN )
6.00 4.20 0.00 peak 225 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 79 and name HB# )
6.00 4.20 0.00 peak 235 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 77 and name HN )
6.00 4.20 0.00 peak 237 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 98 and name HA )
6.00 4.20 0.00 peak 238 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 77 and name HB2 )
6.00 4.20 0.00 peak 240 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 68 and name HN )
6.00 4.20 0.00 peak 244 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 93 and name HN )
( resid 94 and name HN )
6.00 4.20 0.00 peak 246 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HB1 )
( resid 33 and name HN )
6.00 4.20 0.00 peak 256 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HN )
( resid 49 and name HG )
6.00 4.20 0.00 peak 261 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HA )
( resid 48 and name HN )
6.00 4.20 0.00 peak 262 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HD1# )
( resid 48 and name HN )
6.00 4.20 0.00 peak 264 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 48 and name HN )
! ( resid 81 and name HG2# )
! 6.00 4.20 0.00 peak 264 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HA )
( resid 48 and name HN )
6.00 4.20 0.00 peak 267 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HA )
( resid 48 and name HN )
6.00 4.20 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HA )
( resid 51 and name HN )
6.00 4.20 0.00 peak 276 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HB2 )
! ( resid 51 and name HN )
! 6.00 4.20 0.00 peak 281 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 52 and name HN )
! ( resid 55 and name HG2# )
! 6.00 4.20 0.00 peak 285 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HA )
( resid 52 and name HN )
6.00 4.20 0.00 peak 286 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 51 and name HN )
( resid 52 and name HN )
6.00 4.20 0.00 peak 288 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HA )
! ( resid 81 and name HN )
! 6.00 4.20 0.00 peak 289 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HA )
( resid 52 and name HN )
6.00 4.20 0.00 peak 290 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HB# )
( resid 81 and name HN )
6.00 4.20 0.00 peak 294 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HN )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 295 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HN )
( resid 81 and name HD1# )
6.00 4.20 0.00 peak 295 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HA )
( resid 56 and name HN )
6.00 4.20 0.00 peak 300 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 56 and name HN )
6.00 4.20 0.00 peak 313 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HB1 )
( resid 73 and name HN )
6.00 4.20 0.00 peak 323 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HD1# )
( resid 65 and name HN )
6.00 4.20 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HD2# )
( resid 65 and name HN )
6.00 4.20 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HN )
( resid 65 and name HD1# )
6.00 4.20 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HN )
( resid 65 and name HG2# )
6.00 4.20 0.00 peak 329 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 52 and name HN )
6.00 4.20 0.00 peak 331 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 51 and name HN )
6.00 4.20 0.00 peak 333 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 50 and name HE# )
6.00 4.20 0.00 peak 336 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 50 and name HN )
! ( resid 65 and name HD1# )
! 6.00 4.20 0.00 peak 341 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 81 and name HG2# )
6.00 4.20 0.00 peak 341 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD1# )
( resid 50 and name HN )
6.00 4.20 0.00 peak 342 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD2# )
( resid 50 and name HN )
6.00 4.20 0.00 peak 343 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 56 and name HN )
6.00 4.20 0.00 peak 354 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 51 and name HA )
( resid 54 and name HN )
6.00 4.20 0.00 peak 360 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 54 and name HE# )
6.00 4.20 0.00 peak 361 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 56 and name HB# )
6.00 4.20 0.00 peak 364 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 55 and name HG2# )
6.00 4.20 0.00 peak 366 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HN )
( resid 74 and name HA1 )
6.00 4.20 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HB2 )
( resid 73 and name HN )
6.00 4.20 0.00 peak 370 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HN )
( resid 74 and name HA2 )
6.00 4.20 0.00 peak 371 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HN )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 373 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD1# )
( resid 100 and name HN )
6.00 4.20 0.00 peak 379 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD2# )
( resid 100 and name HN )
6.00 4.20 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HN )
( resid 50 and name HN )
6.00 4.20 0.00 peak 381 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HN )
( resid 51 and name HN )
6.00 4.20 0.00 peak 382 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HB1 )
( resid 49 and name HN )
6.00 4.20 0.00 peak 384 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 15 and name HN )
6.00 4.20 0.00 peak 395 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 15 and name HN )
! ( resid 17 and name HG2# )
! 6.00 4.20 0.00 peak 397 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HB2 )
( resid 49 and name HN )
6.00 4.20 0.00 peak 404 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HN )
( resid 49 and name HG )
6.00 4.20 0.00 peak 406 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HN )
( resid 49 and name HD2# )
6.00 4.20 0.00 peak 407 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HN )
( resid 56 and name HN )
6.00 4.20 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 55 and name HN )
6.00 4.20 0.00 peak 418 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HA )
( resid 55 and name HN )
6.00 4.20 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 55 and name HN )
6.00 4.20 0.00 peak 424 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG1 )
( resid 15 and name HN )
6.00 4.20 0.00 peak 427 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HA )
( resid 58 and name HN )
6.00 4.20 0.00 peak 429 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HN )
( resid 101 and name HN )
6.00 4.20 0.00 peak 433 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HD# )
( resid 101 and name HN )
6.00 4.20 0.00 peak 434 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD1# )
( resid 101 and name HN )
6.00 4.20 0.00 peak 441 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD2# )
( resid 101 and name HN )
6.00 4.20 0.00 peak 441 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 20 and name HG )
! ( resid 101 and name HN )
! 6.00 4.20 0.00 peak 443 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HA )
( resid 21 and name HN )
6.00 4.20 0.00 peak 451 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HG )
( resid 21 and name HN )
6.00 4.20 0.00 peak 452 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HN )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HN )
( resid 100 and name HZ )
6.00 4.20 0.00 peak 458 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HB )
( resid 82 and name HN )
6.00 4.20 0.00 peak 464 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HG2# )
( resid 82 and name HN )
6.00 4.20 0.00 peak 465 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 16 and name HN )
6.00 4.20 0.00 peak 467 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HA )
( resid 31 and name HN )
6.00 4.20 0.00 peak 469 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB1 )
( resid 31 and name HN )
6.00 4.20 0.00 peak 472 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB2 )
( resid 31 and name HN )
6.00 4.20 0.00 peak 476 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD1# )
( resid 31 and name HN )
6.00 4.20 0.00 peak 477 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 21 and name HN )
6.00 4.20 0.00 peak 482 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 21 and name HN )
6.00 4.20 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 23 and name HN )
6.00 4.20 0.00 peak 485 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 20 and name HN )
6.00 4.20 0.00 peak 492 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HN )
6.00 4.20 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 20 and name HG )
6.00 4.20 0.00 peak 496 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HG )
5.65 3.85 0.00 peak 497 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HD2# )
6.00 4.20 0.00 peak 498 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 35 and name HN )
( resid 36 and name HE# )
6.00 4.20 0.00 peak 500 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HA )
( resid 103 and name HN )
6.00 4.20 0.00 peak 504 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HN )
( resid 103 and name HN )
6.00 4.20 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 103 and name HN )
6.00 4.20 0.00 peak 507 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 103 and name HN )
6.00 4.20 0.00 peak 509 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HG )
( resid 103 and name HN )
6.00 4.20 0.00 peak 511 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HN )
( resid 30 and name HN )
6.00 4.20 0.00 peak 515 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HD# )
( resid 30 and name HN )
6.00 4.20 0.00 peak 516 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 27 and name HA )
( resid 30 and name HN )
6.00 4.20 0.00 peak 517 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HA )
( resid 30 and name HN )
6.00 4.20 0.00 peak 518 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB2 )
( resid 30 and name HN )
6.00 4.20 0.00 peak 520 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB1 )
( resid 30 and name HN )
6.00 4.20 0.00 peak 522 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HN )
( resid 31 and name HB# )
6.00 4.20 0.00 peak 525 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HN )
( resid 30 and name HD1# )
6.00 4.20 0.00 peak 527 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HN )
( resid 30 and name HD2# )
6.00 4.20 0.00 peak 528 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HN )
6.00 4.20 0.00 peak 532 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HB )
( resid 46 and name HN )
6.00 4.20 0.00 peak 534 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HG2# )
( resid 46 and name HN )
6.00 4.20 0.00 peak 537 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HD1# )
6.00 4.20 0.00 peak 540 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HN )
( resid 34 and name HN )
6.00 4.20 0.00 peak 541 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HN )
( resid 34 and name HD1# )
6.00 4.20 0.00 peak 545 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HN )
( resid 34 and name HD2# )
6.00 4.20 0.00 peak 545 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 20 and name HN )
6.00 4.20 0.00 peak 548 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 62 and name HN )
6.00 4.20 0.00 peak 549 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 21 and name HN )
6.00 4.20 0.00 peak 550 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HN )
( resid 102 and name HA )
6.00 4.20 0.00 peak 551 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 21 and name HA )
6.00 4.20 0.00 peak 553 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 20 and name HG )
6.00 4.20 0.00 peak 556 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HB1 )
( resid 62 and name HN )
6.00 4.20 0.00 peak 557 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HN )
! ( resid 102 and name HG )
! 6.00 4.20 0.00 peak 558 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 20 and name HN )
! ( resid 33 and name HG2# )
! 6.00 4.20 0.00 peak 559 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HB1 )
( resid 78 and name HN )
6.00 4.20 0.00 peak 562 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HB2 )
( resid 78 and name HN )
6.00 4.20 0.00 peak 563 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 34 and name HN )
6.00 4.20 0.00 peak 564 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HN )
( resid 92 and name HN )
6.00 4.20 0.00 peak 566 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 86 and name HA )
! ( resid 92 and name HN )
! 6.00 4.20 0.00 peak 568 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB1 )
( resid 47 and name HN )
6.00 4.20 0.00 peak 581 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HN )
! ( resid 81 and name HG2# )
! 6.00 4.20 0.00 peak 582 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HN )
( resid 48 and name HN )
6.00 4.20 0.00 peak 583 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HN )
( resid 47 and name HN )
6.00 4.20 0.00 peak 584 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HA )
( resid 47 and name HN )
6.00 4.20 0.00 peak 586 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB2 )
( resid 47 and name HN )
6.00 4.20 0.00 peak 589 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HN )
( resid 46 and name HN )
6.00 4.20 0.00 peak 591 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HN )
( resid 46 and name HA )
6.00 4.20 0.00 peak 592 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HB )
( resid 45 and name HN )
6.00 4.20 0.00 peak 594 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HN )
( resid 45 and name HG2# )
6.00 4.20 0.00 peak 596 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 34 and name HD1# )
! ( resid 36 and name HN )
! 6.00 4.20 0.00 peak 597 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 34 and name HD2# )
! ( resid 36 and name HN )
! 6.00 4.20 0.00 peak 597 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HB# )
( resid 36 and name HN )
6.00 4.20 0.00 peak 603 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 14 and name HN )
6.00 4.20 0.00 peak 609 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HB1 )
( resid 14 and name HN )
6.00 4.20 0.00 peak 613 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HB2 )
( resid 14 and name HN )
6.00 4.20 0.00 peak 614 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 16 and name HD1# )
6.00 4.20 0.00 peak 616 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 22 and name HN )
6.00 4.20 0.00 peak 618 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 22 and name HN )
6.00 4.20 0.00 peak 620 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 22 and name HN )
6.00 4.20 0.00 peak 621 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 22 and name HN )
6.00 4.20 0.00 peak 623 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HN )
( resid 30 and name HN )
6.00 4.20 0.00 peak 630 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HD# )
( resid 26 and name HN )
6.00 4.20 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HN )
( resid 30 and name HA )
6.00 4.20 0.00 peak 633 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HN )
( resid 27 and name HD1 )
6.00 4.20 0.00 peak 635 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB1 )
( resid 26 and name HN )
6.00 4.20 0.00 peak 640 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HN )
( resid 29 and name HN )
6.00 4.20 0.00 peak 641 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HN )
( resid 62 and name HN )
6.00 4.20 0.00 peak 644 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HG )
! ( resid 25 and name HN )
! 6.00 4.20 0.00 peak 651 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD1# )
( resid 25 and name HN )
6.00 4.20 0.00 peak 652 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HN )
( resid 25 and name HD# )
6.00 4.20 0.00 peak 654 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HN )
( resid 101 and name HE# )
6.00 4.20 0.00 peak 658 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD2# )
( resid 25 and name HN )
6.00 4.20 0.00 peak 662 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB2 )
( resid 26 and name HN )
6.00 4.20 0.00 peak 667 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 14 and name HN )
6.00 4.20 0.00 peak 673 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG1 )
( resid 13 and name HN )
6.00 4.20 0.00 peak 674 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB )
( resid 13 and name HN )
6.00 4.20 0.00 peak 675 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 13 and name HN )
6.00 4.20 0.00 peak 679 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 16 and name HD1# )
6.00 4.20 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 13 and name HN )
! ( resid 45 and name HD1# )
! 6.00 4.20 0.00 peak 682 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 86 and name HN )
( resid 95 and name HD1# )
6.00 4.20 0.00 peak 685 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 59 and name HN )
6.00 4.20 0.00 peak 688 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 59 and name HN )
6.00 4.20 0.00 peak 691 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 55 and name HG2# )
! ( resid 59 and name HN )
! 6.00 4.20 0.00 peak 693 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HN )
( resid 61 and name HN )
6.00 4.20 0.00 peak 694 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 57 and name HA )
( resid 59 and name HN )
6.00 4.20 0.00 peak 695 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 87 and name HN )
! ( resid 91 and name HN )
! 6.00 4.20 0.00 peak 699 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 90 and name HN )
( resid 91 and name HN )
6.00 4.20 0.00 peak 700 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 91 and name HN )
( resid 92 and name HN )
6.00 4.20 0.00 peak 700 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 32 and name HN )
! ( resid 33 and name HD1# )
! 6.00 4.20 0.00 peak 705 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HN )
( resid 32 and name HN )
6.00 4.20 0.00 peak 706 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HN )
( resid 33 and name HN )
6.00 4.20 0.00 peak 706 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HN )
( resid 33 and name HB )
6.00 4.20 0.00 peak 709 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HB# )
( resid 32 and name HN )
6.00 4.20 0.00 peak 711 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 18 and name HN )
6.00 4.20 0.00 peak 712 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 18 and name HN )
6.00 4.20 0.00 peak 713 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HN )
( resid 19 and name HN )
6.00 4.20 0.00 peak 714 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HN )
( resid 19 and name HA )
6.00 4.20 0.00 peak 715 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HD1# )
( resid 18 and name HN )
6.00 4.20 0.00 peak 722 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 70 and name HN )
6.00 4.20 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HG2# )
( resid 57 and name HN )
6.00 4.20 0.00 peak 728 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HN )
( resid 57 and name HN )
6.00 4.20 0.00 peak 729 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 57 and name HN )
( resid 58 and name HN )
6.00 4.20 0.00 peak 730 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HA )
( resid 57 and name HN )
6.00 4.20 0.00 peak 733 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 57 and name HN )
! ( resid 61 and name HE# )
! 6.00 4.20 0.00 peak 734 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 57 and name HN )
6.00 4.20 0.00 peak 736 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 95 and name HA )
6.00 4.20 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 69 and name HN )
! ( resid 98 and name HA )
! 6.00 4.20 0.00 peak 737 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 96 and name HN )
6.00 4.20 0.00 peak 738 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 69 and name HN )
6.00 4.20 0.00 peak 739 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 740 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 96 and name HB1 )
6.00 4.20 0.00 peak 743 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 96 and name HB2 )
6.00 4.20 0.00 peak 744 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 69 and name HN )
6.00 4.20 0.00 peak 746 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 747 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HN )
( resid 30 and name HN )
6.00 4.20 0.00 peak 748 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HN )
( resid 31 and name HN )
6.00 4.20 0.00 peak 748 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HN )
( resid 29 and name HN )
6.00 4.20 0.00 peak 749 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 28 and name HN )
( resid 31 and name HB# )
6.00 4.20 0.00 peak 758 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 51 and name HN )
( resid 53 and name HN )
6.00 4.20 0.00 peak 761 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 54 and name HA )
6.00 4.20 0.00 peak 763 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HN )
! ( resid 62 and name HA )
! 6.00 4.20 0.00 peak 763 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 56 and name HB# )
6.00 4.20 0.00 peak 765 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HB )
( resid 53 and name HN )
6.00 4.20 0.00 peak 767 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 53 and name HN )
6.00 4.20 0.00 peak 768 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 55 and name HN )
6.00 4.20 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 54 and name HN )
6.00 4.20 0.00 peak 770 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HN )
( resid 53 and name HN )
6.00 4.20 0.00 peak 771 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HN )
! ( resid 63 and name HG )
! 6.00 4.20 0.00 peak 774 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HB1 )
( resid 74 and name HN )
6.00 4.20 0.00 peak 775 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HB2 )
( resid 74 and name HN )
6.00 4.20 0.00 peak 776 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 74 and name HN )
6.00 4.20 0.00 peak 777 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HN )
( resid 74 and name HN )
6.00 4.20 0.00 peak 778 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HN )
( resid 74 and name HN )
6.00 4.20 0.00 peak 778 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 74 and name HN )
( resid 75 and name HN )
6.00 4.20 0.00 peak 779 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB1 )
( resid 74 and name HN )
6.00 4.20 0.00 peak 783 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB2 )
( resid 74 and name HN )
6.00 4.20 0.00 peak 784 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HA )
( resid 74 and name HN )
6.00 4.20 0.00 peak 787 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 101 and name HE# )
6.00 4.20 0.00 peak 788 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 99 and name HN )
6.00 4.20 0.00 peak 789 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 25 and name HN )
6.00 4.20 0.00 peak 795 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 24 and name HN )
6.00 4.20 0.00 peak 796 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 66 and name HN )
( resid 99 and name HN )
6.00 4.20 0.00 peak 811 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 99 and name HN )
( resid 100 and name HN )
6.00 4.20 0.00 peak 815 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 99 and name HN )
6.00 4.20 0.00 peak 816 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB1 )
( resid 23 and name HN )
6.00 4.20 0.00 peak 821 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HG )
! ( resid 23 and name HN )
! 6.00 4.20 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 23 and name HN )
6.00 4.20 0.00 peak 823 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 25 and name HD# )
6.00 4.20 0.00 peak 824 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 825 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 23 and name HN )
6.00 4.20 0.00 peak 826 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 101 and name HA )
6.00 4.20 0.00 peak 827 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 101 and name HE# )
6.00 4.20 0.00 peak 831 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB2 )
( resid 23 and name HN )
6.00 4.20 0.00 peak 832 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HB1 )
( resid 23 and name HN )
6.00 4.20 0.00 peak 833 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HB2 )
( resid 23 and name HN )
6.00 4.20 0.00 peak 834 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 60 and name HN )
( resid 61 and name HN )
6.00 4.20 0.00 peak 837 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 57 and name HN )
( resid 59 and name HN )
6.00 4.20 0.00 peak 843 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 89 and name HN )
( resid 90 and name HN )
6.00 4.20 0.00 peak 844 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 35 and name HN )
( resid 36 and name HN )
6.00 4.20 0.00 peak 845 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 96 and name HN )
( resid 97 and name HN )
6.00 4.20 0.00 peak 848 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 91 and name HN )
( resid 91 and name HG1 )
6.00 4.20 0.00 peak 849 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HE# )
! ( resid 33 and name HN )
! 6.00 4.20 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HE# )
! ( resid 33 and name HA )
! 6.00 4.20 0.00 peak 10 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB2 )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 11 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HE# )
( resid 33 and name HD1# )
6.00 4.20 0.00 peak 13 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HA )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 15 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HA )
! ( resid 25 and name HE# )
! 6.00 4.20 0.00 peak 16 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB1 )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 17 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG )
( resid 25 and name HE# )
6.00 4.20 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HE# )
( resid 33 and name HB )
6.00 4.20 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HA )
( resid 94 and name HE3 )
6.00 4.20 0.00 peak 22 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HA )
( resid 94 and name HD1 )
6.00 4.20 0.00 peak 36 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 93 and name HA )
! ( resid 94 and name HD1 )
! 6.00 4.20 0.00 peak 37 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HG )
( resid 100 and name HZ )
6.00 4.20 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 81 and name HA )
! ( resid 100 and name HZ )
! 6.00 4.20 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HG2# )
( resid 100 and name HZ )
6.00 4.20 0.00 peak 49 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HD1# )
( resid 100 and name HZ )
6.00 4.20 0.00 peak 49 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 75 and name HZ )
! ( resid 77 and name HA )
! 6.00 4.20 0.00 peak 60 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HB )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 63 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HA )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HG1 )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 65 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 89 and name HE1 )
6.00 4.20 0.00 peak 68 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 77 and name HE# )
6.00 4.20 0.00 peak 69 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HA )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 71 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HA )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 71 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HG )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 81 and name HD1# )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 97 and name HB1 )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 78 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 97 and name HB2 )
! ( resid 100 and name HE# )
! 6.00 4.20 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HD1 )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HB2 )
( resid 100 and name HE# )
6.00 4.20 0.00 peak 81 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 77 and name HA )
6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 89 and name HE2 )
6.00 4.20 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 77 and name HE# )
6.00 4.20 0.00 peak 88 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 77 and name HE# )
6.00 4.20 0.00 peak 88 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 87 and name HA )
6.00 4.20 0.00 peak 89 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HA )
( resid 77 and name HE# )
6.00 4.20 0.00 peak 90 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 88 and name HD2 )
6.00 4.20 0.00 peak 91 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 88 and name HD1 )
6.00 4.20 0.00 peak 92 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 77 and name HE# )
! ( resid 84 and name HD1 )
! 6.00 4.20 0.00 peak 95 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 77 and name HE# )
! ( resid 95 and name HB )
! 6.00 4.20 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 77 and name HE# )
! ( resid 84 and name HB2 )
! 6.00 4.20 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 95 and name HG2# )
6.00 4.20 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HA )
( resid 77 and name HE# )
6.00 4.20 0.00 peak 99 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HN )
( resid 75 and name HD# )
6.00 4.20 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HA )
( resid 75 and name HD# )
6.00 4.20 0.00 peak 104 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 77 and name HB1 )
6.00 4.20 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 99 and name HA )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 117 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 100 and name HA )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 100 and name HD# )
! ( resid 101 and name HE# )
! 6.00 4.20 0.00 peak 125 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HG )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 127 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 81 and name HD1# )
! ( resid 100 and name HD# )
! 6.00 4.20 0.00 peak 128 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG2# )
( resid 100 and name HD# )
6.00 4.20 0.00 peak 129 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 76 and name HB )
6.00 4.20 0.00 peak 133 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 136 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HN )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 138 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HA )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 139 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HA )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HA )
( resid 77 and name HD# )
6.00 4.20 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 77 and name HD# )
! ( resid 95 and name HB )
! 6.00 4.20 0.00 peak 146 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HD# )
! ( resid 33 and name HA )
! 6.00 4.20 0.00 peak 148 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG )
( resid 25 and name HD# )
6.00 4.20 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HD# )
! ( resid 33 and name HN )
! 6.00 4.20 0.00 peak 151 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HA )
( resid 25 and name HD# )
6.00 4.20 0.00 peak 153 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 25 and name HD# )
6.00 4.20 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HD# )
! ( resid 32 and name HB1 )
! 6.00 4.20 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HD# )
( resid 30 and name HD1# )
6.00 4.20 0.00 peak 160 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HA )
( resid 13 and name HB# )
5.81 4.01 0.00 peak 199 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HB# )
( resid 13 and name HB# )
5.61 3.81 0.00 peak 110 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG1 )
( resid 15 and name HG# )
5.81 4.01 0.00 peak 1924 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG1 )
( resid 15 and name HD# )
5.81 4.01 0.00 peak 1540 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HG1 )
( resid 34 and name HD# )
5.92 4.12 0.00 peak 1818 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 13 and name HB# )
5.81 4.01 0.00 peak 186 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 13 and name HN )
! ( resid 15 and name HG# )
! 5.81 4.01 0.00 peak 681 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HB# )
( resid 16 and name HD1# )
5.81 4.01 0.00 peak 1391 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 13 and name HB# )
! ( resid 45 and name HD1# )
! 5.81 4.01 0.00 peak 2442 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 13 and name HG# )
! ( resid 45 and name HA )
! 6.00 4.01 0.00 peak 1864 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 13 and name HG# )
! ( resid 45 and name HG2# )
! 5.81 4.01 0.00 peak 1763 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HG# )
( resid 45 and name HD1# )
6.00 4.01 0.00 peak 2443 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 15 and name HD# )
5.81 4.01 0.00 peak 393 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 18 and name HB# )
5.81 4.01 0.00 peak 1412 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HB# )
( resid 34 and name HD# )
5.73 3.93 0.00 peak 1823 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG# )
( resid 33 and name HG2# )
6.00 4.01 0.00 peak 2229 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HD# )
( resid 33 and name HG2# )
5.81 4.01 0.00 peak 1547 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 19 and name HD# )
5.92 4.12 0.00 peak 2475 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 20 and name HB# )
5.81 4.01 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1615 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 30 and name HD# )
5.92 4.12 0.00 peak 2005 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 19 and name HD# )
5.92 4.12 0.00 peak 2182 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 20 and name HD# )
5.92 4.12 0.00 peak 2181 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 20 and name HD# )
5.92 4.12 0.00 peak 1746 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HB )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1617 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 30 and name HD# )
5.92 4.12 0.00 peak 2469 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 21 and name HB# )
5.57 3.77 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 20 and name HA )
5.81 4.01 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 20 and name HB# )
5.61 3.81 0.00 peak 893 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 20 and name HG )
5.81 4.01 0.00 peak 915 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 20 and name HD# )
5.73 3.93 0.00 peak 1989 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 21 and name HN )
5.81 4.01 0.00 peak 454 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 23 and name HN )
5.81 4.01 0.00 peak 822 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HB# )
! ( resid 24 and name HN )
! 5.81 4.01 0.00 peak 800 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HB# )
! ( resid 24 and name HA )
! 5.81 4.01 0.00 peak 608 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HB# )
! ( resid 24 and name HB# )
! 5.18 3.38 0.00 peak 744 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HB# )
! ( resid 25 and name HN )
! 6.00 4.01 0.00 peak 651 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 25 and name HD# )
5.81 4.01 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 30 and name HA )
5.81 4.01 0.00 peak 372 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB# )
( resid 33 and name HD1# )
4.88 3.08 0.00 peak 2375 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HG )
! ( resid 63 and name HD# )
! 5.92 4.12 0.00 peak 1724 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 20 and name HN )
5.92 4.12 0.00 peak 576 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 20 and name HA )
5.92 4.12 0.00 peak 415 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 20 and name HB# )
5.18 3.38 0.00 peak 2027 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 20 and name HD# )
5.73 3.93 0.00 peak 1991 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 22 and name HB# )
5.72 3.92 0.00 peak 1331 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 23 and name HN )
5.92 4.12 0.00 peak 836 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 23 and name HA# )
5.72 3.92 0.00 peak 2030 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 25 and name HB# )
4.94 3.14 0.00 peak 2024 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 25 and name HE# )
5.92 4.12 0.00 peak 13 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 33 and name HN )
5.92 4.12 0.00 peak 2475 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 33 and name HB )
5.92 4.12 0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HD# )
( resid 33 and name HG2# )
5.92 4.12 0.00 peak 2234 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD# )
! ( resid 63 and name HD# )
! 5.28 3.48 0.00 peak 1838 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD# )
! ( resid 101 and name HA )
! 5.92 4.12 0.00 peak 2021 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 19 and name HD# )
! ( resid 101 and name HG# )
! 5.81 3.38 0.00 peak 2027 volume 0.00 ppm1 0.000 ppm2 0.000 {changed from 5.18 to 5.81, xuw}
assign ( resid 20 and name HB# )
( resid 24 and name HA )
5.81 4.01 0.00 peak 609 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 20 and name HB# )
! ( resid 24 and name HB# )
! 4.94 3.14 0.00 peak 741 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB# )
( resid 102 and name HD# )
5.28 3.48 0.00 peak 1616 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HG )
( resid 49 and name HD# )
5.92 4.12 0.00 peak 2055 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HG )
( resid 63 and name HD# )
5.92 4.12 0.00 peak 1685 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 24 and name HA )
5.92 4.12 0.00 peak 1993 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 25 and name HB# )
5.28 3.48 0.00 peak 1986 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 25 and name HD# )
5.92 4.12 0.00 peak 1982 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 30 and name HD# )
5.84 4.04 0.00 peak 1992 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 49 and name HD# )
5.28 3.48 0.00 peak 2059 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 63 and name HD# )
5.84 4.04 0.00 peak 1754 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 100 and name HA )
5.92 4.12 0.00 peak 1983 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HN )
5.92 4.12 0.00 peak 1980 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HA )
5.92 4.12 0.00 peak 1748 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HB# )
5.73 3.93 0.00 peak 1938 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HG# )
5.73 3.93 0.00 peak 1939 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HD# )
5.73 3.93 0.00 peak 1752 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 101 and name HE# )
5.92 4.12 0.00 peak 1751 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 102 and name HN )
5.92 4.12 0.00 peak 1741 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 102 and name HB# )
5.73 3.93 0.00 peak 1753 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 102 and name HD# )
5.81 4.01 0.00 peak 1744 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 21 and name HD# )
5.92 4.12 0.00 peak 457 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 22 and name HB# )
5.81 4.01 0.00 peak 484 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 456 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA )
( resid 102 and name HB# )
5.81 4.01 0.00 peak 425 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1614 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 21 and name HA )
! ( resid 103 and name HB# )
! 6.00 4.01 0.00 peak 431 volume 0.00 ppm1 0.000 ppm2 0.000{changed from 5.81 to 6, xuw}
assign ( resid 21 and name HB# )
( resid 22 and name HG# )
5.61 3.81 0.00 peak 1138 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 22 and name HG# )
5.73 3.93 0.00 peak 2016 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 61 and name HB# )
5.72 3.92 0.00 peak 2018 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 61 and name HG# )
5.28 3.48 0.00 peak 1281 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 61 and name HE# )
5.92 4.12 0.00 peak 2256 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 103 and name HN )
5.92 4.12 0.00 peak 513 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 103 and name HA )
5.92 4.12 0.00 peak 2463 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 103 and name HB# )
5.72 3.92 0.00 peak 2018 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 103 and name HG# )
5.73 3.93 0.00 peak 1121 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 104 and name HN )
5.92 4.12 0.00 peak 196 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HD# )
( resid 104 and name HD# )
5.73 3.93 0.00 peak 2015 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 22 and name HG# )
5.81 4.01 0.00 peak 588 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 101 and name HG# )
5.81 4.01 0.00 peak 834 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 101 and name HD# )
5.81 4.01 0.00 peak 833 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 23 and name HN )
! ( resid 102 and name HD# )
! 5.92 4.12 0.00 peak 835 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 101 and name HG# )
5.81 4.01 0.00 peak 801 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 101 and name HD# )
5.81 4.01 0.00 peak 794 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HA )
( resid 101 and name HD# )
5.81 4.01 0.00 peak 607 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HB# )
( resid 101 and name HB# )
4.94 3.14 0.00 peak 735 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HB# )
( resid 101 and name HG# )
5.62 3.82 0.00 peak 738 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HN )
( resid 30 and name HD# )
5.92 4.12 0.00 peak 652 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HN )
( resid 101 and name HG# )
5.81 4.01 0.00 peak 661 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HA )
( resid 29 and name HB# )
5.81 4.01 0.00 peak 335 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 29 and name HN )
5.81 4.01 0.00 peak 214 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 29 and name HB# )
5.61 3.81 0.00 peak 687 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 30 and name HB# )
5.61 3.81 0.00 peak 685 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 30 and name HD# )
4.94 3.14 0.00 peak 2002 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 31 and name HN )
5.81 4.01 0.00 peak 471 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HB# )
( resid 33 and name HG2# )
5.81 4.01 0.00 peak 2226 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 25 and name HB# )
! ( resid 33 and name HD1# )
! 5.81 4.01 0.00 peak 2373 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HE# )
( resid 30 and name HD# )
5.92 4.12 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 25 and name HD# )
( resid 30 and name HB# )
5.81 4.01 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 26 and name HB# )
( resid 27 and name HA )
5.43 3.63 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 27 and name HA )
( resid 30 and name HB# )
5.81 4.01 0.00 peak 9 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 27 and name HA )
( resid 30 and name HD# )
5.92 4.12 0.00 peak 29 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 27 and name HG# )
( resid 30 and name HB# )
5.62 3.82 0.00 peak 864 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HA )
( resid 30 and name HB# )
5.81 4.01 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HB# )
( resid 30 and name HA )
5.81 4.01 0.00 peak 1390 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HB# )
( resid 30 and name HB# )
5.61 3.81 0.00 peak 868 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 29 and name HB# )
( resid 31 and name HB# )
5.81 4.01 0.00 peak 2268 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HN )
( resid 32 and name HG# )
5.81 4.01 0.00 peak 524 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HA )
! ( resid 32 and name HG# )
! 5.81 4.01 0.00 peak 377 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB# )
( resid 31 and name HA )
5.81 4.01 0.00 peak 447 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HB# )
( resid 31 and name HB# )
5.81 4.01 0.00 peak 2267 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HB# )
! ( resid 33 and name HD1# )
! 5.81 4.01 0.00 peak 2374 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 31 and name HA )
5.92 4.12 0.00 peak 499 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 31 and name HB# )
5.92 4.12 0.00 peak 2271 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HD# )
! ( resid 32 and name HG# )
! 5.73 3.93 0.00 peak 2005 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 33 and name HN )
5.92 4.12 0.00 peak 260 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 33 and name HB )
5.92 4.12 0.00 peak 1042 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 33 and name HG2# )
5.92 4.12 0.00 peak 2234 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 33 and name HD1# )
5.92 4.12 0.00 peak 2378 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HD# )
! ( resid 34 and name HN )
! 5.92 4.12 0.00 peak 546 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HD# )
! ( resid 34 and name HA )
! 5.92 4.12 0.00 peak 1999 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 30 and name HD# )
( resid 34 and name HD# )
5.84 4.04 0.00 peak 1827 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 30 and name HD# )
! ( resid 35 and name HN )
! 5.92 4.12 0.00 peak 2469 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 31 and name HN )
! ( resid 34 and name HB# )
! 5.81 4.01 0.00 peak 474 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HN )
( resid 34 and name HD# )
5.92 4.12 0.00 peak 1816 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 32 and name HG# )
5.81 4.01 0.00 peak 500 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 34 and name HB# )
5.81 4.01 0.00 peak 496 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HA )
( resid 36 and name HB# )
5.81 4.01 0.00 peak 495 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HB# )
( resid 32 and name HG# )
5.66 3.86 0.00 peak 1697 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HB# )
( resid 32 and name HD# )
5.81 4.01 0.00 peak 705 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 31 and name HB# )
( resid 34 and name HD# )
5.92 4.12 0.00 peak 2270 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 31 and name HB# )
! ( resid 36 and name HG# )
! 5.81 4.01 0.00 peak 2266 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HA )
( resid 32 and name HD# )
5.81 4.01 0.00 peak 700 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 32 and name HG# )
! ( resid 33 and name HG2# )
! 5.32 3.52 0.00 peak 1643 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 32 and name HD# )
( resid 33 and name HG2# )
5.81 4.01 0.00 peak 2225 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HN )
( resid 33 and name HG1# )
5.81 4.01 0.00 peak 258 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HN )
( resid 34 and name HD# )
5.92 4.12 0.00 peak 1816 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HG2# )
( resid 34 and name HD# )
5.92 4.12 0.00 peak 1826 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 33 and name HG1# )
( resid 34 and name HN )
5.81 4.01 0.00 peak 544 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HB# )
( resid 35 and name HA )
5.81 4.01 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HB# )
( resid 35 and name HB# )
5.61 3.81 0.00 peak 928 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HB# )
( resid 36 and name HB# )
5.61 3.81 0.00 peak 926 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HB# )
( resid 36 and name HG# )
5.61 3.81 0.00 peak 928 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HB# )
( resid 36 and name HE# )
5.81 4.01 0.00 peak 2343 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HD# )
( resid 35 and name HN )
5.92 4.12 0.00 peak 498 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HD# )
( resid 35 and name HB# )
5.73 3.93 0.00 peak 1822 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HD# )
( resid 36 and name HG# )
5.73 3.93 0.00 peak 2037 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 34 and name HD# )
( resid 36 and name HE# )
5.92 4.12 0.00 peak 1823 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 35 and name HB# )
( resid 36 and name HA )
5.81 4.01 0.00 peak 475 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 35 and name HB# )
( resid 36 and name HB# )
5.61 3.81 0.00 peak 1197 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 35 and name HB# )
( resid 36 and name HE# )
5.81 4.01 0.00 peak 2341 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 36 and name HN )
( resid 36 and name HG# )
5.81 4.01 0.00 peak 600 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 42 and name HB# )
( resid 46 and name HN )
5.81 4.01 0.00 peak 535 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 42 and name HB# )
( resid 46 and name HB# )
5.61 3.81 0.00 peak 947 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 42 and name HB# )
( resid 46 and name HG )
5.81 4.01 0.00 peak 1775 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HB# )
5.24 3.44 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 43 and name HA )
( resid 46 and name HD# )
5.92 4.12 0.00 peak 2044 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 43 and name HB# )
! ( resid 46 and name HG )
! 5.81 4.01 0.00 peak 1308 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 44 and name HN )
! ( resid 45 and name HG1# )
! 5.81 4.01 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HG# )
( resid 45 and name HN )
5.92 4.12 0.00 peak 596 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HG# )
( resid 45 and name HG1# )
5.73 3.93 0.00 peak 2306 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HG# )
( resid 47 and name HB2 )
5.20 3.40 0.00 peak 1512 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 44 and name HG# )
( resid 48 and name HA )
5.92 4.12 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HN )
( resid 45 and name HG1# )
5.81 4.01 0.00 peak 595 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HA )
( resid 48 and name HB# )
5.81 4.01 0.00 peak 972 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HB )
( resid 49 and name HD# )
5.92 4.12 0.00 peak 1897 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HG2# )
( resid 49 and name HD# )
5.92 4.12 0.00 peak 2175 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HG1# )
( resid 48 and name HN )
5.81 4.01 0.00 peak 261 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HG1# )
( resid 48 and name HB# )
5.61 3.81 0.00 peak 1657 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 45 and name HD1# )
( resid 48 and name HB# )
5.81 4.01 0.00 peak 2434 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HN )
( resid 46 and name HD# )
5.92 4.12 0.00 peak 538 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HA )
( resid 49 and name HD# )
5.92 4.12 0.00 peak 1896 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 47 and name HA )
5.81 4.01 0.00 peak 886 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 48 and name HN )
5.81 4.01 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 49 and name HB# )
5.18 3.38 0.00 peak 890 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 49 and name HG )
5.81 4.01 0.00 peak 891 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 49 and name HD# )
5.28 3.48 0.00 peak 1900 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 81 and name HG2# )
5.81 4.01 0.00 peak 2143 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 82 and name HB# )
5.61 3.81 0.00 peak 1002 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HB# )
( resid 100 and name HZ )
5.81 4.01 0.00 peak 46 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HG )
( resid 49 and name HD# )
5.92 4.12 0.00 peak 1786 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HG )
! ( resid 97 and name HB# )
! 5.81 4.01 0.00 peak 1774 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 47 and name HA )
5.92 4.12 0.00 peak 2044 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 49 and name HB# )
5.73 3.93 0.00 peak 2038 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 49 and name HD# )
5.84 4.04 0.00 peak 2048 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 81 and name HB )
5.92 4.12 0.00 peak 2038 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 46 and name HD# )
! ( resid 82 and name HN )
! 5.92 4.12 0.00 peak 2033 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 82 and name HA )
5.92 4.12 0.00 peak 2043 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 82 and name HB# )
5.73 3.93 0.00 peak 2036 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 83 and name HN )
5.92 4.12 0.00 peak 2040 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 97 and name HB# )
5.72 3.92 0.00 peak 2037 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 98 and name HD# )
5.73 3.93 0.00 peak 629 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 100 and name HE# )
5.92 4.12 0.00 peak 2041 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 46 and name HD# )
( resid 100 and name HZ )
5.92 4.12 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HN )
( resid 49 and name HB# )
5.81 4.01 0.00 peak 846 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HA )
( resid 50 and name HG# )
5.81 4.01 0.00 peak 227 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HB2 )
( resid 50 and name HG# )
5.57 3.77 0.00 peak 1514 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 47 and name HG# )
( resid 50 and name HG# )
5.62 3.82 0.00 peak 1111 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HG# )
! ( resid 51 and name HA )
! 5.81 4.01 0.00 peak 5 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 47 and name HG# )
! ( resid 81 and name HB )
! 5.81 4.01 0.00 peak 1093 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HN )
( resid 49 and name HB# )
5.81 4.01 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 48 and name HA )
( resid 51 and name HG# )
5.92 4.12 0.00 peak 348 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HB# )
! ( resid 65 and name HG2# )
! 5.81 4.01 0.00 peak 2362 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HB# )
! ( resid 65 and name HG1# )
! 5.61 3.81 0.00 peak 1803 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HB# )
( resid 65 and name HD1# )
5.81 4.01 0.00 peak 956 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 49 and name HB# )
! ( resid 81 and name HD1# )
! 5.27 3.47 0.00 peak 2416 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 52 and name HB )
5.92 4.12 0.00 peak 1053 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 52 and name HG2# )
5.92 4.12 0.00 peak 2302 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 53 and name HA )
5.92 4.12 0.00 peak 2052 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 63 and name HB# )
5.73 3.93 0.00 peak 2055 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 65 and name HG1# )
5.73 3.93 0.00 peak 1791 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 100 and name HB# )
5.73 3.93 0.00 peak 2054 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 49 and name HD# )
( resid 100 and name HZ )
5.92 4.12 0.00 peak 1895 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 50 and name HG# )
5.81 4.01 0.00 peak 339 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HN )
( resid 51 and name HG# )
5.92 4.12 0.00 peak 340 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 50 and name HA )
! ( resid 65 and name HG1# )
! 5.81 4.01 0.00 peak 1794 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HB# )
( resid 50 and name HE# )
5.81 4.01 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 50 and name HB# )
! ( resid 65 and name HG1# )
! 6.00 4.20 0.00 peak 1798 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HG# )
( resid 81 and name HG2# )
5.81 4.01 0.00 peak 2149 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 50 and name HG# )
( resid 81 and name HD1# )
5.81 4.01 0.00 peak 2412 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 51 and name HG# )
( resid 52 and name HN )
5.92 4.12 0.00 peak 2106 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HA )
( resid 55 and name HG1# )
5.81 4.01 0.00 peak 1604 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 55 and name HG1# )
5.81 4.01 0.00 peak 1609 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 102 and name HB# )
5.81 4.01 0.00 peak 2300 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 52 and name HG2# )
( resid 102 and name HD# )
4.74 2.94 0.00 peak 2307 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 54 and name HB# )
5.81 4.01 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HN )
! ( resid 63 and name HB# )
! 5.81 4.01 0.00 peak 764 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HN )
( resid 102 and name HD# )
6.02 4.12 0.00 peak 1966 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HA )
! ( resid 62 and name HG# )
! 5.92 4.12 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HA )
( resid 63 and name HB# )
5.81 4.01 0.00 peak 770 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HA )
( resid 63 and name HD# )
5.92 4.12 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 53 and name HA )
! ( resid 102 and name HD# )
! 6.02 4.12 0.00 peak 1962 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 53 and name HB# )
( resid 102 and name HD# )
6.00 3.93 0.00 peak 1963 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HN )
( resid 54 and name HG# )
5.81 4.01 0.00 peak 355 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HA )
( resid 57 and name HB# )
5.81 4.01 0.00 peak 1310 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HB# )
( resid 54 and name HE# )
5.81 4.01 0.00 peak 1237 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HG# )
( resid 57 and name HB# )
5.06 3.26 0.00 peak 1311 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 54 and name HG# )
( resid 57 and name HE# )
6.00 4.20 0.00 peak 818 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HN )
( resid 55 and name HG1# )
5.81 4.01 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HA )
( resid 58 and name HD# )
5.81 4.01 0.00 peak 104 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HG2# )
( resid 59 and name HG# )
5.81 4.01 0.00 peak 1144 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 55 and name HG1# )
( resid 58 and name HD# )
5.61 3.81 0.00 peak 712 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 55 and name HG1# )
! ( resid 59 and name HB# )
! 5.61 3.81 0.00 peak 1469 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 56 and name HA )
! ( resid 58 and name HG# )
! 5.81 4.01 0.00 peak 453 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 59 and name HB# )
5.81 4.01 0.00 peak 1468 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 59 and name HG# )
5.81 4.01 0.00 peak 1143 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 61 and name HG# )
5.81 4.01 0.00 peak 451 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1963 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 56 and name HB# )
! ( resid 58 and name HD# )
! 5.81 4.01 0.00 peak 711 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 59 and name HG# )
5.81 4.01 0.00 peak 1140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 63 and name HB# )
5.81 4.01 0.00 peak 765 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 56 and name HB# )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 2279 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 57 and name HA )
( resid 62 and name HG# )
5.92 4.12 0.00 peak 2118 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 58 and name HA )
( resid 58 and name HD# )
5.81 4.01 0.00 peak 708 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 58 and name HA )
( resid 59 and name HG# )
5.81 4.01 0.00 peak 1139 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 58 and name HB# )
( resid 59 and name HB# )
5.61 3.81 0.00 peak 1474 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 58 and name HG# )
! ( resid 59 and name HG# )
! 5.62 3.82 0.00 peak 1644 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 58 and name HD# )
! ( resid 59 and name HB# )
! 5.61 3.81 0.00 peak 710 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HN )
( resid 59 and name HG# )
5.81 4.01 0.00 peak 697 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 59 and name HN )
! ( resid 61 and name HG# )
! 5.81 4.01 0.00 peak 696 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HA )
( resid 61 and name HB# )
5.81 4.01 0.00 peak 470 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HA )
( resid 61 and name HG# )
5.81 4.01 0.00 peak 1279 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 59 and name HB# )
! ( resid 61 and name HB# )
! 5.61 3.81 0.00 peak 1475 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HB# )
( resid 61 and name HG# )
5.61 3.81 0.00 peak 1472 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 59 and name HG# )
( resid 61 and name HE# )
5.81 4.01 0.00 peak 1103 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HN )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 646 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 62 and name HG# )
5.92 4.12 0.00 peak 2116 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1960 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HB# )
( resid 102 and name HA )
5.81 4.01 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HB# )
( resid 102 and name HD# )
5.18 3.38 0.00 peak 1969 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG# )
( resid 62 and name HN )
5.81 4.01 0.00 peak 555 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG# )
( resid 102 and name HD# )
5.28 3.48 0.00 peak 1281 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG# )
( resid 104 and name HN )
5.81 4.01 0.00 peak 1228 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG# )
( resid 105 and name HN )
5.81 4.01 0.00 peak 42 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HG# )
( resid 105 and name HB# )
5.61 3.81 0.00 peak 1285 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 102 and name HB# )
5.81 4.01 0.00 peak 2254 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 61 and name HE# )
! ( resid 103 and name HB# )
! 5.81 4.01 0.00 peak 1203 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 61 and name HE# )
! ( resid 103 and name HG# )
! 5.81 4.01 0.00 peak 2251 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 104 and name HB# )
5.81 4.01 0.00 peak 2252 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 61 and name HE# )
( resid 104 and name HD# )
5.81 4.01 0.00 peak 2248 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HN )
! ( resid 102 and name HB# )
! 5.81 4.01 0.00 peak 549 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HA )
( resid 63 and name HB# )
5.81 4.01 0.00 peak 769 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1968 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 63 and name HN )
5.92 4.12 0.00 peak 106 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 64 and name HN )
5.92 4.12 0.00 peak 2112 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 102 and name HA )
5.92 4.12 0.00 peak 2125 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 62 and name HG# )
! ( resid 102 and name HG )
! 5.92 4.12 0.00 peak 2128 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 105 and name HN )
5.92 4.12 0.00 peak 2115 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 105 and name HB# )
5.73 3.93 0.00 peak 2123 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 62 and name HG# )
( resid 105 and name HD# )
5.73 3.93 0.00 peak 2122 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HN )
( resid 63 and name HD# )
5.92 4.12 0.00 peak 106 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HA )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1961 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HB# )
( resid 64 and name HG )
5.81 4.01 0.00 peak 1652 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HB# )
( resid 101 and name HN )
5.81 4.01 0.00 peak 443 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD# )
( resid 100 and name HB# )
5.18 3.38 0.00 peak 726 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD# )
( resid 101 and name HA )
5.92 4.12 0.00 peak 1722 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 63 and name HD# )
( resid 101 and name HB# )
5.73 3.93 0.00 peak 1724 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HN )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1965 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HB# )
( resid 101 and name HN )
5.81 4.01 0.00 peak 440 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 64 and name HD# )
( resid 66 and name HN )
5.92 4.12 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HN )
( resid 65 and name HG1# )
5.81 4.01 0.00 peak 1792 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG1# )
( resid 79 and name HB# )
5.81 4.01 0.00 peak 1801 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG1# )
( resid 98 and name HG# )
5.62 3.82 0.00 peak 1797 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HG1# )
( resid 100 and name HD# )
5.81 4.01 0.00 peak 128 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 65 and name HD1# )
( resid 100 and name HB# )
5.81 4.01 0.00 peak 727 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 66 and name HN )
( resid 99 and name HB# )
5.81 4.01 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 66 and name HB# )
( resid 67 and name HD1 )
5.81 4.01 0.00 peak 632 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 66 and name HB# )
( resid 99 and name HN )
5.81 4.01 0.00 peak 814 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 76 and name HG# )
5.92 4.12 0.00 peak 2089 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HA )
( resid 78 and name HB# )
5.81 4.01 0.00 peak 1255 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 68 and name HA )
5.81 4.01 0.00 peak 581 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 76 and name HG# )
5.73 3.93 0.00 peak 2091 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 77 and name HN )
5.81 4.01 0.00 peak 155 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 78 and name HA )
5.81 4.01 0.00 peak 1176 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 78 and name HB# )
5.00 2.86 0.00 peak 1184 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 78 and name HG# )
5.62 3.82 0.00 peak 1181 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 79 and name HN )
5.81 4.01 0.00 peak 1182 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 79 and name HB# )
5.81 4.01 0.00 peak 1181 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HB# )
( resid 80 and name HN )
5.81 4.01 0.00 peak 216 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HG# )
( resid 76 and name HG# )
5.73 3.93 0.00 peak 1635 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 67 and name HG# )
! ( resid 78 and name HN )
! 5.81 4.01 0.00 peak 578 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HG# )
( resid 78 and name HE# )
5.81 4.01 0.00 peak 827 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 67 and name HG# )
( resid 79 and name HA )
5.81 4.01 0.00 peak 569 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 67 and name HD1 )
! ( resid 78 and name HG# )
! 5.81 4.01 0.00 peak 1928 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 67 and name HD2 )
! ( resid 76 and name HG# )
! 5.92 4.12 0.00 peak 618 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 67 and name HD2 )
! ( resid 78 and name HG# )
! 5.81 4.01 0.00 peak 1927 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 98 and name HB# )
5.81 4.01 0.00 peak 242 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HN )
( resid 98 and name HG# )
5.81 4.01 0.00 peak 233 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 69 and name HB# )
5.81 4.01 0.00 peak 2154 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 96 and name HG# )
5.81 4.01 0.00 peak 2163 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 98 and name HB# )
5.81 4.01 0.00 peak 2163 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 98 and name HG# )
5.81 4.01 0.00 peak 2153 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 68 and name HB# )
( resid 98 and name HD# )
5.81 4.01 0.00 peak 2152 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 69 and name HN )
! ( resid 95 and name HG1# )
! 5.81 4.01 0.00 peak 745 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HN )
( resid 96 and name HG# )
5.81 4.01 0.00 peak 726 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HB# )
( resid 70 and name HA )
5.81 4.01 0.00 peak 1192 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HB# )
( resid 74 and name HA# )
5.61 3.81 0.00 peak 1196 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HB# )
( resid 76 and name HG# )
5.73 3.93 0.00 peak 1246 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HB# )
( resid 77 and name HN )
5.81 4.01 0.00 peak 156 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HB# )
( resid 77 and name HD# )
5.81 4.01 0.00 peak 146 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HG# )
( resid 70 and name HN )
5.81 4.01 0.00 peak 54 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HG# )
( resid 74 and name HN )
6.00 4.01 0.00 peak 786 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HG# )
( resid 74 and name HA# )
5.61 3.81 0.00 peak 1178 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HG# )
( resid 76 and name HA )
5.81 4.01 0.00 peak 171 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HG# )
( resid 77 and name HD# )
5.81 4.01 0.00 peak 1234 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HE2# )
( resid 74 and name HA# )
5.17 3.37 0.00 peak 656 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 69 and name HE2# )
( resid 76 and name HG# )
5.72 3.92 0.00 peak 820 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 75 and name HB# )
5.81 4.01 0.00 peak 58 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HN )
( resid 76 and name HG# )
5.92 4.12 0.00 peak 56 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB# )
( resid 72 and name HN )
5.81 4.01 0.00 peak 171 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB# )
( resid 75 and name HN )
5.81 4.01 0.00 peak 114 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB# )
( resid 75 and name HB# )
5.61 3.81 0.00 peak 979 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB# )
( resid 77 and name HE# )
5.81 4.01 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 70 and name HB# )
( resid 95 and name HD1# )
5.81 4.01 0.00 peak 2433 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HN )
( resid 71 and name HG# )
5.81 4.01 0.00 peak 30 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HN )
( resid 94 and name HB# )
5.81 4.01 0.00 peak 33 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HA )
( resid 71 and name HD# )
5.81 4.01 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HB# )
( resid 94 and name HN )
5.81 4.01 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HB# )
( resid 94 and name HB# )
5.18 3.38 0.00 peak 1625 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HB# )
( resid 94 and name HD1 )
5.81 4.01 0.00 peak 40 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HG# )
( resid 96 and name HN )
5.81 4.01 0.00 peak 22 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 71 and name HG# )
( resid 96 and name HB# )
5.61 3.81 0.00 peak 1601 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HN )
( resid 72 and name HG# )
5.81 4.01 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HN )
( resid 74 and name HA# )
5.81 4.01 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HN )
( resid 75 and name HB# )
6.00 4.01 0.00 peak 172 volume 0.00 ppm1 0.000 ppm2 0.000 {changed from 5.81 to 6, xuw}
assign ( resid 72 and name HA )
( resid 74 and name HA# )
5.81 4.01 0.00 peak 295 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HB# )
( resid 74 and name HN )
5.81 4.01 0.00 peak 785 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HG# )
( resid 73 and name HN )
5.81 4.01 0.00 peak 368 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 72 and name HG# )
( resid 74 and name HN )
5.81 4.01 0.00 peak 1852 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HN )
( resid 75 and name HB# )
5.81 4.01 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 73 and name HB# )
( resid 90 and name HB# )
5.18 3.38 0.00 peak 1265 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 74 and name HN )
( resid 75 and name HB# )
5.81 4.01 0.00 peak 784 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HB# )
( resid 76 and name HG# )
5.73 3.93 0.00 peak 2097 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HB# )
( resid 77 and name HE# )
5.81 4.01 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HB# )
( resid 77 and name HD# )
5.81 4.01 0.00 peak 143 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 76 and name HG# )
5.92 4.12 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 88 and name HG# )
5.81 4.01 0.00 peak 85 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HE# )
( resid 88 and name HD# )
6.00 4.20 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 75 and name HD# )
! ( resid 88 and name HG# )
! 5.81 4.01 0.00 peak 1688 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 88 and name HD# )
5.81 4.01 0.00 peak 599 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 89 and name HB# )
5.81 4.01 0.00 peak 133 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 89 and name HD# )
5.81 4.01 0.00 peak 1585 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 75 and name HD# )
( resid 89 and name HE# )
5.81 4.01 0.00 peak 878 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 76 and name HG# )
( resid 77 and name HA )
5.92 4.12 0.00 peak 327 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 84 and name HG# )
5.81 4.01 0.00 peak 101 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 84 and name HD# )
5.81 4.01 0.00 peak 92 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HE# )
( resid 88 and name HG# )
5.81 4.01 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 84 and name HB# )
5.81 4.01 0.00 peak 144 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 77 and name HD# )
( resid 84 and name HD# )
5.81 4.01 0.00 peak 141 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 78 and name HB# )
( resid 79 and name HB# )
5.81 4.01 0.00 peak 2203 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 79 and name HA )
( resid 98 and name HB# )
5.81 4.01 0.00 peak 567 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 80 and name HN )
( resid 98 and name HB# )
5.81 4.01 0.00 peak 220 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 81 and name HN )
! ( resid 98 and name HB# )
! 5.81 4.01 0.00 peak 1322 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HA )
( resid 98 and name HG# )
5.81 4.01 0.00 peak 167 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 81 and name HB )
! ( resid 98 and name HD# )
! 5.81 4.01 0.00 peak 631 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 81 and name HG2# )
( resid 82 and name HB# )
5.81 4.01 0.00 peak 2148 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HN )
! ( resid 97 and name HB# )
! 5.81 4.01 0.00 peak 463 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HA )
( resid 83 and name HG1# )
5.81 4.01 0.00 peak 1793 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HA )
! ( resid 97 and name HB# )
! 5.81 4.01 0.00 peak 1459 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HB# )
( resid 83 and name HB )
5.81 4.01 0.00 peak 997 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HB# )
( resid 83 and name HG2# )
5.81 4.01 0.00 peak 2211 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 82 and name HB# )
( resid 83 and name HD1# )
5.81 4.01 0.00 peak 2399 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HB# )
! ( resid 97 and name HB# )
! 5.18 3.38 0.00 peak 1002 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 82 and name HD2# )
! ( resid 97 and name HB# )
! 5.61 3.81 0.00 peak 1462 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HA )
! ( resid 95 and name HG1# )
! 6.00 4.01 0.00 peak 299 volume 0.00 ppm1 0.000 ppm2 0.000 { changed from 5.81 to 6, xuw}
assign ( resid 83 and name HG2# )
( resid 84 and name HB# )
5.81 4.01 0.00 peak 2213 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG2# )
( resid 84 and name HG# )
5.81 4.01 0.00 peak 2218 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HG2# )
! ( resid 93 and name HB# )
! 5.81 4.01 0.00 peak 2214 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HG2# )
! ( resid 93 and name HG# )
! 5.81 4.01 0.00 peak 2212 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 83 and name HG1# )
! ( resid 95 and name HA )
! 5.81 4.01 0.00 peak 2461 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG1# )
( resid 95 and name HB )
5.81 4.01 0.00 peak 1799 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HG1# )
( resid 95 and name HG1# )
6.00 4.20 0.00 peak 1801 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 95 and name HG1# )
6.00 4.20 0.00 peak 2405 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 83 and name HD1# )
( resid 97 and name HG# )
5.81 4.01 0.00 peak 2399 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 84 and name HB# )
( resid 86 and name HN )
5.81 4.01 0.00 peak 672 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 84 and name HB# )
( resid 95 and name HG2# )
5.81 4.01 0.00 peak 2320 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 84 and name HG# )
! ( resid 86 and name HN )
! 5.81 4.01 0.00 peak 1721 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 84 and name HG# )
! ( resid 86 and name HA )
! 5.81 4.01 0.00 peak 1722 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 84 and name HG# )
( resid 95 and name HG2# )
5.81 4.01 0.00 peak 2324 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 85 and name HA )
( resid 86 and name HB# )
5.81 4.01 0.00 peak 254 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 85 and name HB# )
( resid 86 and name HB# )
5.61 3.81 0.00 peak 1213 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 86 and name HN )
( resid 86 and name HG# )
5.81 4.01 0.00 peak 684 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 86 and name HG# )
! ( resid 92 and name HN )
! 5.81 4.01 0.00 peak 574 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 86 and name HD# )
! ( resid 91 and name HA )
! 5.81 4.01 0.00 peak 718 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 86 and name HD# )
! ( resid 91 and name HB# )
! 5.18 3.38 0.00 peak 1502 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HN )
( resid 88 and name HD# )
5.81 4.01 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 87 and name HN )
! ( resid 91 and name HB# )
! 5.81 4.01 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 87 and name HN )
! ( resid 91 and name HG# )
! 5.81 4.01 0.00 peak 73 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HN )
( resid 92 and name HB# )
5.81 4.01 0.00 peak 71 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 88 and name HD# )
5.62 3.82 0.00 peak 601 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 89 and name HN )
5.81 4.01 0.00 peak 230 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 90 and name HN )
5.81 4.01 0.00 peak 310 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 90 and name HA )
5.81 4.01 0.00 peak 1267 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 91 and name HN )
5.81 4.01 0.00 peak 702 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 92 and name HN )
5.81 4.01 0.00 peak 1270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 87 and name HB# )
( resid 95 and name HD1# )
5.81 4.01 0.00 peak 2434 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 88 and name HB# )
( resid 89 and name HA )
5.27 3.47 0.00 peak 406 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 88 and name HD# )
( resid 89 and name HA )
5.81 4.01 0.00 peak 597 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 89 and name HN )
( resid 89 and name HG# )
5.81 4.01 0.00 peak 229 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 89 and name HA )
( resid 89 and name HD# )
5.81 4.01 0.00 peak 1586 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 89 and name HB# )
( resid 89 and name HE# )
5.18 3.38 0.00 peak 846 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 91 and name HN )
( resid 91 and name HD# )
5.81 4.01 0.00 peak 710 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 91 and name HA )
( resid 91 and name HD# )
5.81 4.01 0.00 peak 319 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 93 and name HN )
( resid 93 and name HG# )
5.81 4.01 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 93 and name HB# )
( resid 94 and name HE3 )
5.81 4.01 0.00 peak 27 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 93 and name HG# )
( resid 94 and name HN )
5.81 4.01 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 93 and name HG# )
! ( resid 94 and name HE3 )
! 5.81 4.01 0.00 peak 23 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 94 and name HB# )
( resid 95 and name HA )
5.62 3.82 0.00 peak 2460 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 94 and name HB# )
! ( resid 95 and name HD1# )
! 5.81 4.01 0.00 peak 2433 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 95 and name HG2# )
( resid 96 and name HG# )
5.81 4.01 0.00 peak 2319 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 95 and name HG2# )
! ( resid 97 and name HB# )
! 5.81 4.01 0.00 peak 2319 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 95 and name HG1# )
! ( resid 96 and name HB# )
! 5.61 3.81 0.00 peak 1715 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 95 and name HD1# )
! ( resid 96 and name HB# )
! 5.81 4.01 0.00 peak 2442 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 96 and name HN )
( resid 96 and name HG# )
5.81 4.01 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 96 and name HA )
( resid 97 and name HG# )
5.81 4.01 0.00 peak 483 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 97 and name HN )
( resid 97 and name HG# )
5.81 4.01 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 97 and name HN )
( resid 98 and name HD# )
5.81 4.01 0.00 peak 139 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 97 and name HB# )
( resid 98 and name HA )
5.43 3.63 0.00 peak 120 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 97 and name HB# )
( resid 98 and name HG# )
5.62 3.82 0.00 peak 1670 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 97 and name HB# )
( resid 98 and name HD# )
5.62 3.82 0.00 peak 627 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 97 and name HB# )
! ( resid 100 and name HZ )
! 5.81 4.01 0.00 peak 46 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HB# )
( resid 100 and name HZ )
5.81 4.01 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HG# )
( resid 100 and name HD# )
5.81 4.01 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 98 and name HG# )
( resid 100 and name HZ )
5.81 4.01 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 100 and name HD# )
! ( resid 101 and name HB# )
! 5.81 4.01 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 101 and name HN )
( resid 101 and name HG# )
5.81 4.01 0.00 peak 440 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 101 and name HN )
( resid 101 and name HD# )
5.81 4.01 0.00 peak 438 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 101 and name HB# )
( resid 101 and name HE# )
5.79 3.99 0.00 peak 838 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HN )
( resid 102 and name HD# )
5.92 4.12 0.00 peak 1612 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HN )
( resid 103 and name HB# )
5.81 4.01 0.00 peak 1200 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HA )
( resid 103 and name HB# )
5.81 4.01 0.00 peak 549 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HB# )
( resid 103 and name HB# )
5.61 3.81 0.00 peak 1202 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 102 and name HD# )
( resid 103 and name HN )
5.92 4.12 0.00 peak 513 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 103 and name HB# )
( resid 105 and name HN )
5.81 4.01 0.00 peak 1200 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 103 and name HB# )
( resid 105 and name HA )
5.81 4.01 0.00 peak 1201 volume 0.00 ppm1 0.000 ppm2 0.000
!assign ( resid 103 and name HG# )
! ( resid 105 and name HA )
! 5.81 4.01 0.00 peak 1116 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 104 and name HN )
( resid 104 and name HD# )
5.81 4.01 0.00 peak 193 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 104 and name HA )
( resid 104 and name HD# )
5.81 4.01 0.00 peak 714 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 104 and name HD# )
( resid 105 and name HN )
5.81 4.01 0.00 peak 36 volume 0.00 ppm1 0.000 ppm2 0.000
!fake restraints to ZN
assign ( resid 70 and name SG )
( resid 200 and name ZN )
3.20 1.40 0.00 peak
assign ( resid 73 and name SG )
( resid 200 and name ZN )
3.20 1.40 0.00 peak
assign ( resid 87 and name SG )
( resid 200 and name ZN )
3.20 1.40 0.00 peak
assign ( resid 90 and name SG )
( resid 200 and name ZN )
3.20 1.40 0.00 peak
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:26:44 AM GMT (wattos1)