NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20595 |
2g46   |
6997 | cing | 1-original | 7 | XPLOR/CNS | distance | NOE | simple |
!
!
!The last digit in peak ID is the spectrum number
ASSI { 4504}
(( segid "SEGA" and resid 43 and name HE3 ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 4504 weight 0.1000E+01 volume 50.34360 ppm1 7.010 ppm2 1.426
ASSI { 4564}
(( segid "SEGA" and resid 47 and name HD2# ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 4564 weight 0.1000E+01 volume 21.03760 ppm1 0.882 ppm2 1.426
ASSI { 4594}
(( segid "SEGA" and resid 46 and name HB# ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 4594 weight 0.1000E+01 volume 4.45600 ppm1 0.051 ppm2 1.426
ASSI { 4644}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 36 and name HG12 ))
6 6 0 peak 4644 weight 0.1000E+01 volume 4.06930 ppm1 0.339 ppm2 1.018
ASSI { 4774}
(( segid "SEGA" and resid 16 and name HD1 ))
(( segid "SEGB" and resid 34 and name HD2# ))
6 6 0 peak 4774 weight 0.1000E+01 volume 3.73950 ppm1 6.974 ppm2 0.368
ASSI { 5124}
(( segid "SEGA" and resid 43 and name HE3 ))
(( segid "SEGB" and resid 47 and name HD2# ))
6 6 0 peak 5124 weight 0.1000E+01 volume 20.92530 ppm1 7.012 ppm2 0.877
ASSI { 6034}
(( segid "SEGA" and resid 60 and name HE# ))
(( segid "SEGB" and resid 51 and name HD1# ))
6 6 0 peak 6034 weight 0.1000E+01 volume 5.25000 ppm1 1.807 ppm2 -0.384
ASSI { 6104}
(( segid "SEGA" and resid 62 and name HA ))
(( segid "SEGB" and resid 62 and name HD2# ))
6 6 0 peak 6104 weight 0.1000E+01 volume 11.89470 ppm1 4.468 ppm2 0.693
ASSI { 6154}
(( segid "SEGA" and resid 62 and name HB1 ))
(( segid "SEGB" and resid 62 and name HD2# ))
6 6 0 peak 6154 weight 0.1000E+01 volume 24.35000 ppm1 1.804 ppm2 0.693
ASSI { 6174}
(( segid "SEGA" and resid 66 and name HB# ))
(( segid "SEGB" and resid 62 and name HD2# ))
6 6 0 peak 6174 weight 0.1000E+01 volume 18.61920 ppm1 1.659 ppm2 0.693
ASSI { 6454}
(( segid "SEGA" and resid 60 and name HB2 ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 6454 weight 0.1000E+01 volume 7.22240 ppm1 2.248 ppm2 1.792
ASSI { 6474}
(( segid "SEGA" and resid 62 and name HD1# ))
(( segid "SEGB" and resid 66 and name HB# ))
6 6 0 peak 6474 weight 0.1000E+01 volume 12.81420 ppm1 0.720 ppm2 1.650
ASSI { 6484}
(( segid "SEGA" and resid 62 and name HD2# ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 6484 weight 0.1000E+01 volume 23.45900 ppm1 0.703 ppm2 1.792
ASSI { 6494}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 6494 weight 0.1000E+01 volume 63.17570 ppm1 0.333 ppm2 1.792
ASSI { 6654}
(( segid "SEGA" and resid 43 and name HD1 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6654 weight 0.1000E+01 volume 12.16480 ppm1 8.266 ppm2 0.042
ASSI { 6724}
(( segid "SEGA" and resid 43 and name HA ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6724 weight 0.1000E+01 volume 60.80310 ppm1 4.995 ppm2 0.043
ASSI { 6794}
(( segid "SEGA" and resid 46 and name HA ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6794 weight 0.1000E+01 volume 4.03040 ppm1 3.553 ppm2 0.042
ASSI { 6804}
(( segid "SEGA" and resid 46 and name HB# ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6804 weight 0.1000E+01 volume 42.03040 ppm1 3.553 ppm2 0.042
ASSI { 6814}
(( segid "SEGA" and resid 42 and name HB1 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6814 weight 0.1000E+01 volume 3.32500 ppm1 2.505 ppm2 0.042
ASSI { 6824}
(( segid "SEGA" and resid 42 and name HB2 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6824 weight 0.1000E+01 volume 3.13560 ppm1 2.357 ppm2 0.042
ASSI { 6834}
(( segid "SEGA" and resid 38 and name HB1 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6834 weight 0.1000E+01 volume 2.05600 ppm1 2.053 ppm2 0.042
ASSI { 6884}
(( segid "SEGA" and resid 47 and name HD1# ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 6884 weight 0.1000E+01 volume 8.73670 ppm1 1.437 ppm2 0.042
ASSI { 7054}
(( segid "SEGA" and resid 50 and name HE1 ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 7054 weight 0.1000E+01 volume 8.97790 ppm1 6.921 ppm2 0.938
ASSI { 7084}
(( segid "SEGA" and resid 47 and name HD1# ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 7084 weight 0.1000E+01 volume 4.91840 ppm1 1.430 ppm2 0.938
ASSI { 7114}
(( segid "SEGA" and resid 46 and name HB# ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 7114 weight 0.1000E+01 volume 2.19550 ppm1 0.039 ppm2 0.938
ASSI { 7764}
(( segid "SEGA" and resid 50 and name HE1 ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 7764 weight 0.1000E+01 volume 14.63500 ppm1 6.925 ppm2 0.327
ASSI { 7774}
(( segid "SEGA" and resid 36 and name HB ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 7774 weight 0.1000E+01 volume 19.68690 ppm1 1.804 ppm2 0.327
ASSI { 7804}
(( segid "SEGA" and resid 62 and name HD1# ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 7804 weight 0.1000E+01 volume 14.80040 ppm1 0.720 ppm2 0.327
ASSI { 9364}
(( segid "SEGA" and resid 60 and name HB1 ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 9364 weight 0.1000E+01 volume 5.73910 ppm1 2.550 ppm2 1.792
ASSI { 9394}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 9394 weight 0.1000E+01 volume 1.74630 ppm1 -0.376 ppm2 1.792
ASSI { 9484}
(( segid "SEGA" and resid 50 and name HD1 ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 9484 weight 0.1000E+01 volume 0.88030 ppm1 7.195 ppm2 0.938
ASSI { 9494}
(( segid "SEGA" and resid 46 and name HA ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 9494 weight 0.1000E+01 volume 1.09090 ppm1 3.549 ppm2 0.938
ASSI { 9504}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 9504 weight 0.1000E+01 volume 0.81700 ppm1 -0.377 ppm2 0.938
ASSI { 9524}
(( segid "SEGA" and resid 50 and name HD1 ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 9524 weight 0.1000E+01 volume 21.84130 ppm1 7.190 ppm2 0.327
ASSI { 10044}
(( segid "SEGA" and resid 16 and name HD1 ))
(( segid "SEGB" and resid 34 and name HD1# ))
6 6 0 peak 10044 weight 0.1000E+01 volume 2.54470 ppm1 6.976 ppm2 0.491
ASSI { 10954}
(( segid "SEGA" and resid 66 and name HB# ))
(( segid "SEGB" and resid 62 and name HD1# ))
6 6 0 peak 10954 weight 0.1000E+01 volume 19.38890 ppm1 1.661 ppm2 0.735
ASSI { 10994}
(( segid "SEGA" and resid 50 and name HE1 ))
(( segid "SEGB" and resid 47 and name HD2# ))
6 6 0 peak 10994 weight 0.1000E+01 volume 4.24040 ppm1 6.926 ppm2 0.878
ASSI { 11004}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 47 and name HD2# ))
6 6 0 peak 11004 weight 0.1000E+01 volume 9.35440 ppm1 0.335 ppm2 0.877
ASSI { 13174}
(( segid "SEGA" and resid 36 and name HG2# ))
(( segid "SEGB" and resid 51 and name HD1# ))
6 6 0 peak 13174 weight 0.1000E+01 volume 1.30900 ppm1 0.947 ppm2 -0.383
ASSI { 13424}
(( segid "SEGA" and resid 43 and name HZ2 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 13424 weight 0.1000E+01 volume 1.94500 ppm1 6.891 ppm2 0.042
ASSI { 13884}
(( segid "SEGA" and resid 38 and name HD2 ))
(( segid "SEGB" and resid 46 and name HA ))
6 6 0 peak 13884 weight 0.1000E+01 volume 0.87670 ppm1 3.303 ppm2 3.561
ASSI { 14224}
(( segid "SEGA" and resid 36 and name HG2# ))
(( segid "SEGB" and resid 46 and name HA ))
6 6 0 peak 14224 weight 0.1000E+01 volume 0.84480 ppm1 0.947 ppm2 3.561
ASSI { 14344}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 14344 weight 0.1000E+01 volume 1.22940 ppm1 -0.376 ppm2 0.042
ASSI { 14364}
(( segid "SEGA" and resid 38 and name HD2 ))
(( segid "SEGB" and resid 46 and name HB# ))
6 6 0 peak 14364 weight 0.1000E+01 volume 6.21330 ppm1 3.293 ppm2 0.042
ASSI { 14524}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 66 and name HB# ))
6 6 0 peak 14524 weight 0.1000E+01 volume 4.10220 ppm1 0.336 ppm2 1.652
ASSI { 16234}
(( segid "SEGA" and resid 47 and name HD1# ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 16234 weight 0.1000E+01 volume 5.60760 ppm1 1.431 ppm2 1.792
ASSI { 16444}
(( segid "SEGA" and resid 33 and name HB1 ))
(( segid "SEGB" and resid 1 and name HE# ))
6 6 0 peak 16444 weight 0.1000E+01 volume 2.58180 ppm1 3.225 ppm2 1.772
ASSI { 16474}
(( segid "SEGA" and resid 34 and name HB1 ))
(( segid "SEGB" and resid 1 and name HE# ))
6 6 0 peak 16474 weight 0.1000E+01 volume 5.95590 ppm1 1.470 ppm2 1.772
ASSI { 16484}
(( segid "SEGA" and resid 34 and name HB2 ))
(( segid "SEGB" and resid 1 and name HE# ))
6 6 0 peak 16484 weight 0.1000E+01 volume 2.11400 ppm1 1.382 ppm2 1.772
ASSI { 16494}
(( segid "SEGA" and resid 34 and name HD1# ))
(( segid "SEGB" and resid 1 and name HE# ))
6 6 0 peak 16494 weight 0.1000E+01 volume 13.19270 ppm1 0.494 ppm2 1.772
ASSI { 16504}
(( segid "SEGA" and resid 34 and name HD2# ))
(( segid "SEGB" and resid 1 and name HE# ))
6 6 0 peak 16504 weight 0.1000E+01 volume 8.54020 ppm1 0.373 ppm2 1.772
ASSI { 17284}
(( segid "SEGA" and resid 1 and name HE# ))
(( segid "SEGB" and resid 34 and name HB2 ))
6 6 0 peak 17284 weight 0.1000E+01 volume 1.46190 ppm1 1.779 ppm2 1.378
ASSI { 17294}
(( segid "SEGA" and resid 1 and name HE# ))
(( segid "SEGB" and resid 34 and name HB1 ))
6 6 0 peak 17294 weight 0.1000E+01 volume 1.47040 ppm1 1.778 ppm2 1.464
ASSI { 17414}
(( segid "SEGA" and resid 16 and name HE1 ))
(( segid "SEGB" and resid 34 and name HD1# ))
6 6 0 peak 17414 weight 0.1000E+01 volume 4.05710 ppm1 6.899 ppm2 0.491
ASSI { 17454}
(( segid "SEGA" and resid 1 and name HE# ))
(( segid "SEGB" and resid 34 and name HD1# ))
6 6 0 peak 17454 weight 0.1000E+01 volume 12.42470 ppm1 1.779 ppm2 0.490
ASSI { 17474}
(( segid "SEGA" and resid 16 and name HE1 ))
(( segid "SEGB" and resid 34 and name HD2# ))
6 6 0 peak 17474 weight 0.1000E+01 volume 3.73200 ppm1 6.898 ppm2 0.367
ASSI { 17504}
(( segid "SEGA" and resid 1 and name HE# ))
(( segid "SEGB" and resid 34 and name HD2# ))
6 6 0 peak 17504 weight 0.1000E+01 volume 9.28940 ppm1 1.778 ppm2 0.367
ASSI { 17654}
(( segid "SEGA" and resid 60 and name HE# ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 17654 weight 0.1000E+01 volume 8.13630 ppm1 1.797 ppm2 1.426
ASSI { 17664}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 17664 weight 0.1000E+01 volume 4.77180 ppm1 -0.376 ppm2 1.426
ASSI { 17674}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 47 and name HD2# ))
6 6 0 peak 17674 weight 0.1000E+01 volume 1.71760 ppm1 -0.376 ppm2 0.878
ASSI { 17904}
(( segid "SEGA" and resid 47 and name HD1# ))
(( segid "SEGB" and resid 51 and name HD1# ))
6 6 0 peak 17904 weight 0.1000E+01 volume 4.83950 ppm1 1.433 ppm2 -0.384
ASSI { 17924}
(( segid "SEGA" and resid 47 and name HD2# ))
(( segid "SEGB" and resid 51 and name HD1# ))
6 6 0 peak 17924 weight 0.1000E+01 volume 3.44760 ppm1 0.872 ppm2 -0.384
ASSI { 18034}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 62 and name HD1# ))
6 6 0 peak 18034 weight 0.1000E+01 volume 9.54460 ppm1 0.341 ppm2 0.735
ASSI { 19034}
(( segid "SEGA" and resid 47 and name HA ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 19034 weight 0.1000E+01 volume 0.80240 ppm1 4.803 ppm2 0.326
ASSI { 19044}
(( segid "SEGA" and resid 66 and name HB# ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 19044 weight 0.1000E+01 volume 6.91410 ppm1 1.655 ppm2 0.327
ASSI { 19054}
(( segid "SEGA" and resid 38 and name HG1 ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 19054 weight 0.1000E+01 volume 13.92370 ppm1 1.429 ppm2 0.327
ASSI { 19064}
(( segid "SEGA" and resid 51 and name HD1# ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 19064 weight 0.1000E+01 volume 0.55780 ppm1 -0.376 ppm2 0.327
ASSI { 23114}
(( segid "SEGA" and resid 46 and name HB# ))
(( segid "SEGB" and resid 38 and name HD2 ))
6 6 0 peak 23114 weight 0.1000E+01 volume 1.24150 ppm1 0.043 ppm2 3.298
ASSI { 25294}
(( segid "SEGA" and resid 50 and name HE1 ))
(( segid "SEGB" and resid 36 and name HG11 ))
6 6 0 peak 25294 weight 0.1000E+01 volume 5.77210 ppm1 6.922 ppm2 1.305
ASSI { 25304}
(( segid "SEGA" and resid 47 and name HD2# ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 25304 weight 0.1000E+01 volume 16.84960 ppm1 0.885 ppm2 0.327
ASSI { 25794}
(( segid "SEGA" and resid 36 and name HD1# ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 25794 weight 0.1000E+01 volume 16.74930 ppm1 0.337 ppm2 0.328
ASSI { 25804}
(( segid "SEGA" and resid 51 and name HG ))
(( segid "SEGB" and resid 36 and name HD1# ))
6 6 0 peak 25804 weight 0.1000E+01 volume 2.07450 ppm1 0.082 ppm2 0.328
ASSI { 25844}
(( segid "SEGA" and resid 60 and name HE# ))
(( segid "SEGB" and resid 60 and name HE# ))
6 6 0 peak 25844 weight 0.1000E+01 volume 15.350760 ppm1 1.803 ppm2 1.793
ASSI { 25864}
(( segid "SEGA" and resid 47 and name HD1# ))
(( segid "SEGB" and resid 47 and name HD1# ))
6 6 0 peak 25864 weight 0.1000E+01 volume 70.951870 ppm1 1.441 ppm2 1.427
ASSI { 25874}
(( segid "SEGA" and resid 47 and name HD2# ))
(( segid "SEGB" and resid 47 and name HD2# ))
6 6 0 peak 25874 weight 0.1000E+01 volume 22.62210 ppm1 0.880 ppm2 0.878
ASSI { 25884}
(( segid "SEGA" and resid 62 and name HD2# ))
(( segid "SEGB" and resid 62 and name HD2# ))
6 6 0 peak 25884 weight 0.1000E+01 volume 69.791570 ppm1 0.703 ppm2 0.692
ASSI { 25894}
(( segid "SEGA" and resid 62 and name HD1# ))
(( segid "SEGB" and resid 62 and name HD2# ))
6 6 0 peak 25894 weight 0.1000E+01 volume 53.471350 ppm1 0.773 ppm2 0.692
ASSI { 25964}
(( segid "SEGA" and resid 36 and name HG2# ))
(( segid "SEGB" and resid 36 and name HG2# ))
6 6 0 peak 25964 weight 0.1000E+01 volume 14.04469 ppm1 0.938 ppm2 0.939
ASSI { 74504}
(( segid "SEGB" and resid 43 and name HE3 ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 74504 weight 0.1000E+01 volume 50.34360 ppm1 7.010 ppm2 1.426
ASSI { 74564}
(( segid "SEGB" and resid 47 and name HD2# ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 74564 weight 0.1000E+01 volume 21.03760 ppm1 0.882 ppm2 1.426
ASSI { 74594}
(( segid "SEGB" and resid 46 and name HB# ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 74594 weight 0.1000E+01 volume 4.45600 ppm1 0.051 ppm2 1.426
ASSI { 74644}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 36 and name HG12 ))
6 6 0 peak 74644 weight 0.1000E+01 volume 4.06930 ppm1 0.339 ppm2 1.018
ASSI { 74774}
(( segid "SEGB" and resid 16 and name HD1 ))
(( segid "SEGA" and resid 34 and name HD2# ))
6 6 0 peak 74774 weight 0.1000E+01 volume 3.73950 ppm1 6.974 ppm2 0.368
ASSI { 75124}
(( segid "SEGB" and resid 43 and name HE3 ))
(( segid "SEGA" and resid 47 and name HD2# ))
6 6 0 peak 75124 weight 0.1000E+01 volume 20.92530 ppm1 7.012 ppm2 0.877
ASSI { 76034}
(( segid "SEGB" and resid 60 and name HE# ))
(( segid "SEGA" and resid 51 and name HD1# ))
6 6 0 peak 76034 weight 0.1000E+01 volume 5.25000 ppm1 1.807 ppm2 -0.384
ASSI { 76104}
(( segid "SEGB" and resid 62 and name HA ))
(( segid "SEGA" and resid 62 and name HD2# ))
6 6 0 peak 76104 weight 0.1000E+01 volume 11.89470 ppm1 4.468 ppm2 0.693
ASSI { 76154}
(( segid "SEGB" and resid 62 and name HB1 ))
(( segid "SEGA" and resid 62 and name HD2# ))
6 6 0 peak 76154 weight 0.1000E+01 volume 24.35000 ppm1 1.804 ppm2 0.693
ASSI { 76174}
(( segid "SEGB" and resid 66 and name HB# ))
(( segid "SEGA" and resid 62 and name HD2# ))
6 6 0 peak 76174 weight 0.1000E+01 volume 18.61920 ppm1 1.659 ppm2 0.693
ASSI { 76454}
(( segid "SEGB" and resid 60 and name HB2 ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 76454 weight 0.1000E+01 volume 7.22240 ppm1 2.248 ppm2 1.792
ASSI { 76474}
(( segid "SEGB" and resid 62 and name HD1# ))
(( segid "SEGA" and resid 66 and name HB# ))
6 6 0 peak 76474 weight 0.1000E+01 volume 12.81420 ppm1 0.720 ppm2 1.650
ASSI { 76484}
(( segid "SEGB" and resid 62 and name HD2# ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 76484 weight 0.1000E+01 volume 23.45900 ppm1 0.703 ppm2 1.792
ASSI { 76494}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 76494 weight 0.1000E+01 volume 63.17570 ppm1 0.333 ppm2 1.792
ASSI { 76654}
(( segid "SEGB" and resid 43 and name HD1 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76654 weight 0.1000E+01 volume 12.16480 ppm1 8.266 ppm2 0.042
ASSI { 76724}
(( segid "SEGB" and resid 43 and name HA ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76724 weight 0.1000E+01 volume 60.80310 ppm1 4.995 ppm2 0.043
ASSI { 76794}
(( segid "SEGB" and resid 46 and name HA ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76794 weight 0.1000E+01 volume 4.03040 ppm1 3.553 ppm2 0.042
ASSI { 76804}
(( segid "SEGB" and resid 46 and name HB# ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76804 weight 0.1000E+01 volume 42.03040 ppm1 3.553 ppm2 0.042
ASSI { 76814}
(( segid "SEGB" and resid 42 and name HB1 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76814 weight 0.1000E+01 volume 3.32500 ppm1 2.505 ppm2 0.042
ASSI { 76824}
(( segid "SEGB" and resid 42 and name HB2 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76824 weight 0.1000E+01 volume 3.13560 ppm1 2.357 ppm2 0.042
ASSI { 76834}
(( segid "SEGB" and resid 38 and name HB1 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76834 weight 0.1000E+01 volume 2.05600 ppm1 2.053 ppm2 0.042
ASSI { 76884}
(( segid "SEGB" and resid 47 and name HD1# ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 76884 weight 0.1000E+01 volume 8.73670 ppm1 1.437 ppm2 0.042
ASSI { 77054}
(( segid "SEGB" and resid 50 and name HE1 ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 77054 weight 0.1000E+01 volume 8.97790 ppm1 6.921 ppm2 0.938
ASSI { 77084}
(( segid "SEGB" and resid 47 and name HD1# ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 77084 weight 0.1000E+01 volume 4.91840 ppm1 1.430 ppm2 0.938
ASSI { 77114}
(( segid "SEGB" and resid 46 and name HB# ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 77114 weight 0.1000E+01 volume 2.19550 ppm1 0.039 ppm2 0.938
ASSI { 77764}
(( segid "SEGB" and resid 50 and name HE1 ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 77764 weight 0.1000E+01 volume 14.63500 ppm1 6.925 ppm2 0.327
ASSI { 77774}
(( segid "SEGB" and resid 36 and name HB ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 77774 weight 0.1000E+01 volume 19.68690 ppm1 1.804 ppm2 0.327
ASSI { 77804}
(( segid "SEGB" and resid 62 and name HD1# ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 77804 weight 0.1000E+01 volume 14.80040 ppm1 0.720 ppm2 0.327
ASSI { 79364}
(( segid "SEGB" and resid 60 and name HB1 ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 79364 weight 0.1000E+01 volume 5.73910 ppm1 2.550 ppm2 1.792
ASSI { 79394}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 79394 weight 0.1000E+01 volume 1.74630 ppm1 -0.376 ppm2 1.792
ASSI { 79484}
(( segid "SEGB" and resid 50 and name HD1 ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 79484 weight 0.1000E+01 volume 0.88030 ppm1 7.195 ppm2 0.938
ASSI { 79494}
(( segid "SEGB" and resid 46 and name HA ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 79494 weight 0.1000E+01 volume 1.09090 ppm1 3.549 ppm2 0.938
ASSI { 79504}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 79504 weight 0.1000E+01 volume 0.81700 ppm1 -0.377 ppm2 0.938
ASSI { 79524}
(( segid "SEGB" and resid 50 and name HD1 ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 79524 weight 0.1000E+01 volume 21.84130 ppm1 7.190 ppm2 0.327
ASSI { 80044}
(( segid "SEGB" and resid 16 and name HD1 ))
(( segid "SEGA" and resid 34 and name HD1# ))
6 6 0 peak 80044 weight 0.1000E+01 volume 2.54470 ppm1 6.976 ppm2 0.491
ASSI { 80054}
(( segid "SEGB" and resid 62 and name HD1# ))
(( segid "SEGA" and resid 34 and name HD1# ))
6 6 0 peak 80054 weight 0.1000E+01 volume 6.00290 ppm1 0.737 ppm2 0.491
ASSI { 80954}
(( segid "SEGB" and resid 66 and name HB# ))
(( segid "SEGA" and resid 62 and name HD1# ))
6 6 0 peak 80954 weight 0.1000E+01 volume 19.38890 ppm1 1.661 ppm2 0.735
ASSI { 81004}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 47 and name HD2# ))
6 6 0 peak 81004 weight 0.1000E+01 volume 9.35440 ppm1 0.335 ppm2 0.877
ASSI { 83174}
(( segid "SEGB" and resid 36 and name HG2# ))
(( segid "SEGA" and resid 51 and name HD1# ))
6 6 0 peak 83174 weight 0.1000E+01 volume 1.30900 ppm1 0.947 ppm2 -0.383
ASSI { 83424}
(( segid "SEGB" and resid 43 and name HZ2 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 83424 weight 0.1000E+01 volume 1.94500 ppm1 6.891 ppm2 0.042
ASSI { 83884}
(( segid "SEGB" and resid 38 and name HD2 ))
(( segid "SEGA" and resid 46 and name HA ))
6 6 0 peak 83884 weight 0.1000E+01 volume 0.87670 ppm1 3.303 ppm2 3.561
ASSI { 84224}
(( segid "SEGB" and resid 36 and name HG2# ))
(( segid "SEGA" and resid 46 and name HA ))
6 6 0 peak 84224 weight 0.1000E+01 volume 0.84480 ppm1 0.947 ppm2 3.561
ASSI { 84344}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 84344 weight 0.1000E+01 volume 1.22940 ppm1 -0.376 ppm2 0.042
ASSI { 84364}
(( segid "SEGB" and resid 38 and name HD2 ))
(( segid "SEGA" and resid 46 and name HB# ))
6 6 0 peak 84364 weight 0.1000E+01 volume 6.21330 ppm1 3.293 ppm2 0.042
ASSI { 84524}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 66 and name HB# ))
6 6 0 peak 84524 weight 0.1000E+01 volume 4.10220 ppm1 0.336 ppm2 1.652
ASSI { 86234}
(( segid "SEGB" and resid 47 and name HD1# ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 86234 weight 0.1000E+01 volume 5.60760 ppm1 1.431 ppm2 1.792
ASSI { 86444}
(( segid "SEGB" and resid 33 and name HB1 ))
(( segid "SEGA" and resid 1 and name HE# ))
6 6 0 peak 86444 weight 0.1000E+01 volume 2.58180 ppm1 3.225 ppm2 1.772
ASSI { 86474}
(( segid "SEGB" and resid 34 and name HB1 ))
(( segid "SEGA" and resid 1 and name HE# ))
6 6 0 peak 86474 weight 0.1000E+01 volume 5.95590 ppm1 1.470 ppm2 1.772
ASSI { 86484}
(( segid "SEGB" and resid 34 and name HB2 ))
(( segid "SEGA" and resid 1 and name HE# ))
6 6 0 peak 86484 weight 0.1000E+01 volume 2.11400 ppm1 1.382 ppm2 1.772
ASSI { 86494}
(( segid "SEGB" and resid 34 and name HD1# ))
(( segid "SEGA" and resid 1 and name HE# ))
6 6 0 peak 86494 weight 0.1000E+01 volume 13.19270 ppm1 0.494 ppm2 1.772
ASSI { 86504}
(( segid "SEGB" and resid 34 and name HD2# ))
(( segid "SEGA" and resid 1 and name HE# ))
6 6 0 peak 86504 weight 0.1000E+01 volume 8.54020 ppm1 0.373 ppm2 1.772
ASSI { 87284}
(( segid "SEGB" and resid 1 and name HE# ))
(( segid "SEGA" and resid 34 and name HB2 ))
6 6 0 peak 87284 weight 0.1000E+01 volume 1.46190 ppm1 1.779 ppm2 1.378
ASSI { 87294}
(( segid "SEGB" and resid 1 and name HE# ))
(( segid "SEGA" and resid 34 and name HB1 ))
6 6 0 peak 87294 weight 0.1000E+01 volume 1.47040 ppm1 1.778 ppm2 1.464
ASSI { 87414}
(( segid "SEGB" and resid 16 and name HE1 ))
(( segid "SEGA" and resid 34 and name HD1# ))
6 6 0 peak 87414 weight 0.1000E+01 volume 4.05710 ppm1 6.899 ppm2 0.491
ASSI { 87454}
(( segid "SEGB" and resid 1 and name HE# ))
(( segid "SEGA" and resid 34 and name HD1# ))
6 6 0 peak 87454 weight 0.1000E+01 volume 12.42470 ppm1 1.779 ppm2 0.490
ASSI { 87474}
(( segid "SEGB" and resid 16 and name HE1 ))
(( segid "SEGA" and resid 34 and name HD2# ))
6 6 0 peak 87474 weight 0.1000E+01 volume 3.73200 ppm1 6.898 ppm2 0.367
ASSI { 87504}
(( segid "SEGB" and resid 1 and name HE# ))
(( segid "SEGA" and resid 34 and name HD2# ))
6 6 0 peak 87504 weight 0.1000E+01 volume 9.28940 ppm1 1.778 ppm2 0.367
ASSI { 87654}
(( segid "SEGB" and resid 60 and name HE# ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 87654 weight 0.1000E+01 volume 8.13630 ppm1 1.797 ppm2 1.426
ASSI { 87664}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 87664 weight 0.1000E+01 volume 4.77180 ppm1 -0.376 ppm2 1.426
ASSI { 87674}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 47 and name HD2# ))
6 6 0 peak 87674 weight 0.1000E+01 volume 1.71760 ppm1 -0.376 ppm2 0.878
ASSI { 87904}
(( segid "SEGB" and resid 47 and name HD1# ))
(( segid "SEGA" and resid 51 and name HD1# ))
6 6 0 peak 87904 weight 0.1000E+01 volume 4.83950 ppm1 1.433 ppm2 -0.384
ASSI { 87924}
(( segid "SEGB" and resid 47 and name HD2# ))
(( segid "SEGA" and resid 51 and name HD1# ))
6 6 0 peak 87924 weight 0.1000E+01 volume 3.44760 ppm1 0.872 ppm2 -0.384
ASSI { 88034}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 62 and name HD1# ))
6 6 0 peak 88034 weight 0.1000E+01 volume 9.54460 ppm1 0.341 ppm2 0.735
ASSI { 89034}
(( segid "SEGB" and resid 47 and name HA ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 89034 weight 0.1000E+01 volume 0.80240 ppm1 4.803 ppm2 0.326
ASSI { 89044}
(( segid "SEGB" and resid 66 and name HB# ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 89044 weight 0.1000E+01 volume 6.91410 ppm1 1.655 ppm2 0.327
ASSI { 89064}
(( segid "SEGB" and resid 51 and name HD1# ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 89064 weight 0.1000E+01 volume 0.55780 ppm1 -0.376 ppm2 0.327
ASSI { 83114}
(( segid "SEGB" and resid 46 and name HB# ))
(( segid "SEGA" and resid 38 and name HD2 ))
6 6 0 peak 83114 weight 0.1000E+01 volume 1.24150 ppm1 0.043 ppm2 3.298
ASSI { 85294}
(( segid "SEGB" and resid 50 and name HE1 ))
(( segid "SEGA" and resid 36 and name HG11 ))
6 6 0 peak 85294 weight 0.1000E+01 volume 5.77210 ppm1 6.922 ppm2 1.305
ASSI { 85304}
(( segid "SEGB" and resid 47 and name HD2# ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 85304 weight 0.1000E+01 volume 16.84960 ppm1 0.885 ppm2 0.327
ASSI { 85794}
(( segid "SEGB" and resid 36 and name HD1# ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 85794 weight 0.1000E+01 volume 16.74930 ppm1 0.337 ppm2 0.328
ASSI { 85804}
(( segid "SEGB" and resid 51 and name HG ))
(( segid "SEGA" and resid 36 and name HD1# ))
6 6 0 peak 85804 weight 0.1000E+01 volume 2.07450 ppm1 0.082 ppm2 0.328
ASSI { 85844}
(( segid "SEGB" and resid 60 and name HE# ))
(( segid "SEGA" and resid 60 and name HE# ))
6 6 0 peak 85844 weight 0.1000E+01 volume 15.350760 ppm1 1.803 ppm2 1.793
ASSI { 85864}
(( segid "SEGB" and resid 47 and name HD1# ))
(( segid "SEGA" and resid 47 and name HD1# ))
6 6 0 peak 85864 weight 0.1000E+01 volume 70.951870 ppm1 1.441 ppm2 1.427
ASSI { 85874}
(( segid "SEGB" and resid 47 and name HD2# ))
(( segid "SEGA" and resid 47 and name HD2# ))
6 6 0 peak 85874 weight 0.1000E+01 volume 22.62210 ppm1 0.880 ppm2 0.878
ASSI { 85884}
(( segid "SEGB" and resid 62 and name HD2# ))
(( segid "SEGA" and resid 62 and name HD2# ))
6 6 0 peak 85884 weight 0.1000E+01 volume 69.791570 ppm1 0.703 ppm2 0.692
ASSI { 85894}
(( segid "SEGB" and resid 62 and name HD1# ))
(( segid "SEGA" and resid 62 and name HD2# ))
6 6 0 peak 85894 weight 0.1000E+01 volume 53.471350 ppm1 0.773 ppm2 0.692
ASSI { 85964}
(( segid "SEGB" and resid 36 and name HG2# ))
(( segid "SEGA" and resid 36 and name HG2# ))
6 6 0 peak 85964 weight 0.1000E+01 volume 14.04469 ppm1 0.938 ppm2 0.939
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
!
!
!The last digit in peak ID is the spectrum number
ASSI { 07}
(( segid "SEGA" and resid 215 and name HD1 ))
(( segid "SEGA" and resid 105 and name HE1 ))
6 6 0 peak 07 weight 0.1100E+01 volume 10.50850 ppm1 2.795 ppm2 6.659
ASSI { 17}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 50 and name HE2 ))
6 6 0 peak 17 weight 0.1100E+01 volume 19.85140 ppm1 2.245 ppm2 6.985
ASSI { 27}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 50 and name HE2 ))
6 6 0 peak 27 weight 0.1100E+01 volume 17.25310 ppm1 2.164 ppm2 6.982
ASSI { 37}
(( segid "SEGA" and resid 301 and name HA ))
(( segid "SEGA" and resid 50 and name HE2 ))
6 6 0 peak 37 weight 0.1100E+01 volume 15.16180 ppm1 2.798 ppm2 6.986
ASSI { 47}
(( segid "SEGA" and resid 301 and name HE2 ))
(( segid "SEGA" and resid 50 and name HE2 ))
6 6 0 peak 47 weight 0.1100E+01 volume 7.57500 ppm1 3.911 ppm2 6.975
ASSI { 57}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 50 and name HD1 ))
6 6 0 peak 57 weight 0.1100E+01 volume 12.26540 ppm1 2.242 ppm2 7.254
ASSI { 77}
(( segid "SEGA" and resid 301 and name HA ))
(( segid "SEGA" and resid 50 and name HE1 ))
6 6 0 peak 77 weight 0.1100E+01 volume 8.27830 ppm1 2.800 ppm2 6.943
ASSI { 97}
(( segid "SEGA" and resid 301 and name HA ))
(( segid "SEGA" and resid 50 and name HD1 ))
6 6 0 peak 97 weight 0.1100E+01 volume 16.59630 ppm1 2.804 ppm2 7.244
ASSI { 107}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 50 and name HE1 ))
6 6 0 peak 107 weight 0.1100E+01 volume 8.28470 ppm1 2.162 ppm2 6.936
ASSI { 117}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 50 and name HE1 ))
6 6 0 peak 117 weight 0.1100E+01 volume 9.16870 ppm1 2.245 ppm2 6.941
ASSI { 157}
(( segid "SEGA" and resid 301 and name H8 ))
(( segid "SEGA" and resid 105 and name HE1 ))
6 6 0 peak 157 weight 0.1100E+01 volume 1.18990 ppm1 8.464 ppm2 6.647
ASSI { 167}
(( segid "SEGA" and resid 215 and name HE2 ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 167 weight 0.1100E+01 volume 22.58280 ppm1 3.159 ppm2 6.306
ASSI { 177}
(( segid "SEGA" and resid 215 and name HE2 ))
(( segid "SEGA" and resid 105 and name HE1 ))
6 6 0 peak 177 weight 0.1100E+01 volume 25.20140 ppm1 3.161 ppm2 6.664
ASSI { 187}
(( segid "SEGA" and resid 215 and name HE1 ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 187 weight 0.1100E+01 volume 12.51370 ppm1 3.092 ppm2 6.291
ASSI { 197}
(( segid "SEGA" and resid 215 and name HE1 ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 197 weight 0.1100E+01 volume 11.97330 ppm1 3.095 ppm2 6.658
ASSI { 207}
(( segid "SEGA" and resid 301 and name H4' ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 207 weight 0.1100E+01 volume 2.25020 ppm1 4.523 ppm2 6.283
ASSI { 217}
(( segid "SEGA" and resid 301 and name H4' ))
(( segid "SEGA" and resid 105 and name HE1 ))
6 6 0 peak 217 weight 0.1100E+01 volume 4.60130 ppm1 4.525 ppm2 6.653
ASSI { 227}
(( segid "SEGA" and resid 215 and name HD1 ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 227 weight 0.1100E+01 volume 8.23320 ppm1 2.809 ppm2 6.318
ASSI { 237}
(( segid "SEGA" and resid 301 and name H8 ))
(( segid "SEGA" and resid 105 and name HE2 ))
6 6 0 peak 237 weight 0.1100E+01 volume 1.24450 ppm1 8.474 ppm2 6.304
ASSI { 257}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 50 and name HD1 ))
6 6 0 peak 257 weight 0.1100E+01 volume 5.02400 ppm1 2.139 ppm2 7.251
ASSI { 267}
(( segid "SEGA" and resid 215 and name HA ))
(( segid "SEGA" and resid 109 and name HD1 ))
6 6 0 peak 267 weight 0.1100E+01 volume 3.44860 ppm1 4.448 ppm2 6.667
!! some intermolecular noe from aromatic noesy of ternary complpex.
ASSI { 1007}
(( segid "SEGA" and resid 301 and name H2'' ))
(( segid "SEGA" and resid 110 and name HZ3 ))
6 6 0 peak 1007 weight 0.1100E+01 volume 12.41700 ppm1 4.986 ppm2 7.132
ASSI { 1017}
(( segid "SEGA" and resid 301 and name H2'' ))
(( segid "SEGA" and resid 110 and name HH2 ))
6 6 0 peak 1017 weight 0.1100E+01 volume 21.41700 ppm1 5.005 ppm2 7.230
! F3 (1H): 0.04 ppm
! F2 (X): 0.4 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
!
!
!The last digit in peak ID is the spectrum number
ASSI { 05}
(( segid "SEGA" and resid 214 and name HD2 ))
(( segid "SEGA" and resid 53 and name HB2 ))
6 6 0 peak 05 weight 0.1000E+01 volume 213.39580 ppm1 3.269 ppm2 3.686
ASSI { 15}
(( segid "SEGA" and resid 214 and name HB2 ))
(( segid "SEGA" and resid 53 and name HB2 ))
6 6 0 peak 15 weight 0.1000E+01 volume 160.67419 ppm1 1.911 ppm2 3.681
ASSI { 25}
(( segid "SEGA" and resid 214 and name HB1 ))
(( segid "SEGA" and resid 53 and name HB2 ))
6 6 0 peak 25 weight 0.1000E+01 volume 213.55569 ppm1 1.838 ppm2 3.677
ASSI { 35}
(( segid "SEGA" and resid 214 and name HG2 ))
(( segid "SEGA" and resid 53 and name HB2 ))
6 6 0 peak 35 weight 0.1000E+01 volume 230.59309 ppm1 1.710 ppm2 3.696
ASSI { 45}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 67 and name HG2# ))
6 6 0 peak 45 weight 0.1000E+01 volume 59.30020 ppm1 2.194 ppm2 0.833
ASSI { 55}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 67 and name HG2# ))
6 6 0 peak 55 weight 0.1000E+01 volume 63.44480 ppm1 2.130 ppm2 0.826
ASSI { 85}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 85 weight 0.1000E+01 volume 92.54860 ppm1 3.727 ppm2 0.641
ASSI { 95}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 95 weight 0.1000E+01 volume 105.21610 ppm1 3.833 ppm2 0.646
ASSI { 105}
(( segid "SEGA" and resid 214 and name HG2 ))
(( segid "SEGA" and resid 51 and name HD2# ))
6 6 0 peak 105 weight 0.1000E+01 volume 64.06930 ppm1 1.705 ppm2 0.051
ASSI { 115}
(( segid "SEGA" and resid 214 and name HD2 ))
(( segid "SEGA" and resid 51 and name HD2# ))
6 6 0 peak 115 weight 0.1000E+01 volume 116.70050 ppm1 3.271 ppm2 0.051
ASSI { 125}
(( segid "SEGA" and resid 215 and name HB2 ))
(( segid "SEGA" and resid 52 and name HA ))
6 6 0 peak 125 weight 0.1000E+01 volume 56.94340 ppm1 1.910 ppm2 4.819
ASSI { 135}
(( segid "SEGA" and resid 215 and name HB1 ))
(( segid "SEGA" and resid 52 and name HA ))
6 6 0 peak 135 weight 0.1000E+01 volume 44.29890 ppm1 1.836 ppm2 4.831
ASSI { 145}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 68 and name HA ))
6 6 0 peak 145 weight 0.1000E+01 volume 53.53360 ppm1 2.122 ppm2 4.016
ASSI { 155}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 68 and name HA ))
6 6 0 peak 155 weight 0.1000E+01 volume 44.08100 ppm1 2.197 ppm2 4.019
ASSI { 165}
(( segid "SEGA" and resid 301 and name HG2 ))
(( segid "SEGA" and resid 68 and name HA ))
6 6 0 peak 165 weight 0.1000E+01 volume 13.12640 ppm1 2.758 ppm2 4.035
ASSI { 175}
(( segid "SEGA" and resid 217 and name HA ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 175 weight 0.1000E+01 volume 72.56820 ppm1 4.720 ppm2 0.617
ASSI { 205}
(( segid "SEGA" and resid 218 and name HB2 ))
(( segid "SEGA" and resid 79 and name HA ))
6 6 0 peak 205 weight 0.1000E+01 volume 109.83940 ppm1 2.006 ppm2 4.471
ASSI { 215}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 79 and name HA ))
6 6 0 peak 215 weight 0.1000E+01 volume 136.46940 ppm1 2.087 ppm2 4.471
ASSI { 225}
(( segid "SEGA" and resid 214 and name HB1 ))
(( segid "SEGA" and resid 51 and name HD2# ))
6 6 0 peak 225 weight 0.1000E+01 volume 21.37770 ppm1 1.915 ppm2 0.030
ASSI { 235}
(( segid "SEGA" and resid 217 and name HB# ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 235 weight 0.1000E+01 volume 583.22058 ppm1 1.432 ppm2 0.670
ASSI { 245}
(( segid "SEGA" and resid 301 and name HG2 ))
(( segid "SEGA" and resid 67 and name HA ))
6 6 0 peak 245 weight 0.1000E+01 volume 24.57600 ppm1 2.765 ppm2 4.077
ASSI { 255}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 255 weight 0.1000E+01 volume 39.09760 ppm1 2.094 ppm2 0.646
ASSI { 265}
(( segid "SEGA" and resid 220 and name HG2# ))
(( segid "SEGA" and resid 80 and name HD1# ))
6 6 0 peak 265 weight 0.1000E+01 volume 85.19560 ppm1 1.268 ppm2 0.685
ASSI { 275}
(( segid "SEGA" and resid 214 and name HD2 ))
(( segid "SEGA" and resid 53 and name HB1 ))
6 6 0 peak 275 weight 0.1000E+01 volume 48.44000 ppm1 3.271 ppm2 3.480
ASSI { 285}
(( segid "SEGA" and resid 214 and name HB2 ))
(( segid "SEGA" and resid 53 and name HB1 ))
6 6 0 peak 285 weight 0.1000E+01 volume 37.45500 ppm1 1.914 ppm2 3.463
ASSI { 295}
(( segid "SEGA" and resid 214 and name HG2 ))
(( segid "SEGA" and resid 53 and name HB1 ))
6 6 0 peak 295 weight 0.1000E+01 volume 55.47620 ppm1 1.712 ppm2 3.473
ASSI { 305}
(( segid "SEGA" and resid 214 and name HB1 ))
(( segid "SEGA" and resid 53 and name HB1 ))
6 6 0 peak 305 weight 0.1000E+01 volume 96.06260 ppm1 1.849 ppm2 3.462
ASSI { 315}
(( segid "SEGA" and resid 301 and name HB1 ))
(( segid "SEGA" and resid 67 and name HD1# ))
6 6 0 peak 315 weight 0.1000E+01 volume 23.16090 ppm1 2.130 ppm2 0.856
ASSI { 325}
(( segid "SEGA" and resid 301 and name HB2 ))
(( segid "SEGA" and resid 67 and name HD1# ))
6 6 0 peak 325 weight 0.1000E+01 volume 36.19680 ppm1 2.196 ppm2 0.849
ASSI { 335}
(( segid "SEGA" and resid 301 and name HG2 ))
(( segid "SEGA" and resid 67 and name HD1# ))
6 6 0 peak 335 weight 0.1000E+01 volume 1.46160 ppm1 2.754 ppm2 0.848
ASSI { 345}
(( segid "SEGA" and resid 301 and name HG2 ))
(( segid "SEGA" and resid 67 and name HG2# ))
6 6 0 peak 345 weight 0.1000E+01 volume 2.85390 ppm1 2.752 ppm2 0.826
ASSI { 395}
(( segid "SEGA" and resid 301 and name HG1 ))
(( segid "SEGA" and resid 69 and name HB2 ))
6 6 0 peak 395 weight 0.1000E+01 volume 2.32160 ppm1 3.093 ppm2 2.724
ASSI { 415}
(( segid "SEGA" and resid 218 and name HG2 ))
(( segid "SEGA" and resid 79 and name HA ))
6 6 0 peak 415 weight 0.1000E+01 volume 132.20100 ppm1 2.357 ppm2 4.463
ASSI { 425}
(( segid "SEGA" and resid 301 and name HA ))
(( segid "SEGA" and resid 12 and name HD1 ))
6 6 0 peak 425 weight 0.1000E+01 volume 5.63420 ppm1 2.768 ppm2 4.529
ASSI { 445}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 79 and name HA ))
6 6 0 peak 445 weight 0.1000E+01 volume 52.29900 ppm1 3.729 ppm2 4.488
ASSI { 455}
(( segid "SEGA" and resid 301 and name HG1 ))
(( segid "SEGA" and resid 67 and name HA ))
6 6 0 peak 455 weight 0.1000E+01 volume 26.12970 ppm1 3.095 ppm2 4.075
ASSI { 525}
(( segid "SEGA" and resid 301 and name H8 ))
(( segid "SEGA" and resid 69 and name HB2 ))
6 6 0 peak 525 weight 0.1000E+01 volume 15.27660 ppm1 8.416 ppm2 2.750
ASSI { 535}
(( segid "SEGA" and resid 214 and name HD2 ))
(( segid "SEGA" and resid 51 and name HD1# ))
6 6 0 peak 535 weight 0.1000E+01 volume 66.47250 ppm1 3.267 ppm2 -0.415
ASSI { 545}
(( segid "SEGA" and resid 301 and name H8 ))
(( segid "SEGA" and resid 69 and name HB1 ))
6 6 0 peak 545 weight 0.1000E+01 volume 45.27660 ppm1 8.416 ppm2 2.840
ASSI { 575}
(( segid "SEGA" and resid 301 and name H8 ))
(( segid "SEGA" and resid 69 and name HA ))
6 6 0 peak 575 weight 0.1000E+01 volume 67.37060 ppm1 8.418 ppm2 4.99
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
! F1: 0.04
! F2: 0.04
!The last digit in peak ID is the spectrum number
ASSI { 06}
(( segid "SEGA" and resid 219 and name HN ))
(( segid "SEGA" and resid 219 and name HA ))
6 6 0 peak 06 weight 0.10000E+01 volume 231.43311 ppm1 8.445 ppm2 4.477
ASSI { 16}
(( segid "SEGA" and resid 207 and name HN ))
(( segid "SEGA" and resid 207 and name HA ))
6 6 0 peak 16 weight 0.10000E+01 volume 56.89340 ppm1 8.386 ppm2 4.430
ASSI { 26}
(( segid "SEGA" and resid 209 and name HN ))
(( segid "SEGA" and resid 209 and name HA ))
6 6 0 peak 26 weight 0.10000E+01 volume 149.93790 ppm1 8.320 ppm2 4.473
ASSI { 36}
(( segid "SEGA" and resid 216 and name HN ))
(( segid "SEGA" and resid 216 and name HA ))
6 6 0 peak 36 weight 0.10000E+01 volume 134.83470 ppm1 8.265 ppm2 4.529
ASSI { 46}
(( segid "SEGA" and resid 215 and name HN ))
(( segid "SEGA" and resid 215 and name HA ))
6 6 0 peak 46 weight 0.10000E+01 volume 157.87770 ppm1 8.255 ppm2 4.417
ASSI { 56}
(( segid "SEGA" and resid 212 and name HN ))
(( segid "SEGA" and resid 212 and name HA ))
6 6 0 peak 56 weight 0.10000E+01 volume 107.57240 ppm1 8.213 ppm2 4.373
ASSI { 66}
(( segid "SEGA" and resid 213 and name HN ))
(( segid "SEGA" and resid 213 and name HA ))
6 6 0 peak 66 weight 0.10000E+01 volume 341.49139 ppm1 8.171 ppm2 4.387
ASSI { 76}
(( segid "SEGA" and resid 220 and name HN ))
(( segid "SEGA" and resid 220 and name HA ))
6 6 0 peak 76 weight 0.10000E+01 volume 708.31061 ppm1 8.044 ppm2 4.443
ASSI { 86}
(( segid "SEGA" and resid 210 and name HN ))
(( segid "SEGA" and resid 210 and name HA ))
6 6 0 peak 86 weight 0.10000E+01 volume 173.31760 ppm1 8.019 ppm2 4.398
ASSI { 96}
(( segid "SEGA" and resid 210 and name HN ))
(( segid "SEGA" and resid 210 and name HB ))
6 6 0 peak 96 weight 0.10000E+01 volume 188.97369 ppm1 8.016 ppm2 4.321
ASSI { 126}
(( segid "SEGA" and resid 216 and name HN ))
(( segid "SEGA" and resid 216 and name HB2 ))
6 6 0 peak 126 weight 0.10000E+01 volume 225.78740 ppm1 8.255 ppm2 3.937
ASSI { 136}
(( segid "SEGA" and resid 221 and name HN ))
(( segid "SEGA" and resid 221 and name HA2 ))
6 6 0 peak 136 weight 0.10000E+01 volume 2952.19409 ppm1 7.970 ppm2 3.867
ASSI { 146}
(( segid "SEGA" and resid 207 and name HN ))
(( segid "SEGA" and resid 207 and name HG2 ))
6 6 0 peak 146 weight 0.10000E+01 volume 230.05409 ppm1 8.386 ppm2 2.447
ASSI { 156}
(( segid "SEGA" and resid 207 and name HN ))
(( segid "SEGA" and resid 207 and name HB2 ))
6 6 0 peak 156 weight 0.10000E+01 volume 99.59470 ppm1 8.387 ppm2 2.170
ASSI { 166}
(( segid "SEGA" and resid 207 and name HN ))
(( segid "SEGA" and resid 207 and name HB1 ))
6 6 0 peak 166 weight 0.10000E+01 volume 176.59891 ppm1 8.386 ppm2 2.066
ASSI { 216}
(( segid "SEGA" and resid 214 and name HN ))
(( segid "SEGA" and resid 214 and name HB2 ))
6 6 0 peak 216 weight 0.10000E+01 volume 146.30130 ppm1 8.195 ppm2 1.949
ASSI { 226}
(( segid "SEGA" and resid 214 and name HN ))
(( segid "SEGA" and resid 214 and name HB1 ))
6 6 0 peak 226 weight 0.10000E+01 volume 277.71210 ppm1 8.197 ppm2 1.872
ASSI { 236}
(( segid "SEGA" and resid 215 and name HN ))
(( segid "SEGA" and resid 215 and name HB2 ))
6 6 0 peak 236 weight 0.10000E+01 volume 115.50970 ppm1 8.257 ppm2 1.937
ASSI { 246}
(( segid "SEGA" and resid 215 and name HN ))
(( segid "SEGA" and resid 215 and name HB1 ))
6 6 0 peak 246 weight 0.10000E+01 volume 147.20000 ppm1 8.258 ppm2 1.864
ASSI { 256}
(( segid "SEGA" and resid 205 and name HN ))
(( segid "SEGA" and resid 205 and name HB2 ))
6 6 0 peak 256 weight 0.10000E+01 volume 90.99020 ppm1 8.359 ppm2 1.881
ASSI { 266}
(( segid "SEGA" and resid 205 and name HN ))
(( segid "SEGA" and resid 205 and name HG1 ))
6 6 0 peak 266 weight 0.10000E+01 volume 53.69560 ppm1 8.360 ppm2 1.758
ASSI { 276}
(( segid "SEGA" and resid 214 and name HN ))
(( segid "SEGA" and resid 214 and name HG2 ))
6 6 0 peak 276 weight 0.10000E+01 volume 257.16251 ppm1 8.199 ppm2 1.738
ASSI { 286}
(( segid "SEGA" and resid 208 and name HN ))
(( segid "SEGA" and resid 208 and name HB2 ))
6 6 0 peak 286 weight 0.10000E+01 volume 264.02539 ppm1 8.255 ppm2 1.719
ASSI { 306}
(( segid "SEGA" and resid 206 and name HN ))
(( segid "SEGA" and resid 206 and name HB1 ))
6 6 0 peak 306 weight 0.10000E+01 volume 21.39840 ppm1 8.329 ppm2 1.797
ASSI { 316}
(( segid "SEGA" and resid 219 and name HN ))
(( segid "SEGA" and resid 219 and name HB# ))
6 6 0 peak 316 weight 0.10000E+01 volume 278.89810 ppm1 8.445 ppm2 1.520
ASSI { 336}
(( segid "SEGA" and resid 209 and name HN ))
(( segid "SEGA" and resid 209 and name HB# ))
6 6 0 peak 336 weight 0.10000E+01 volume 193.86211 ppm1 8.318 ppm2 1.500
ASSI { 346}
(( segid "SEGA" and resid 217 and name HN ))
(( segid "SEGA" and resid 217 and name HB# ))
6 6 0 peak 346 weight 0.10000E+01 volume 671.61102 ppm1 8.244 ppm2 1.459
ASSI { 356}
(( segid "SEGA" and resid 212 and name HN ))
(( segid "SEGA" and resid 212 and name HB# ))
6 6 0 peak 356 weight 0.10000E+01 volume 940.57062 ppm1 8.211 ppm2 1.471
ASSI { 366}
(( segid "SEGA" and resid 213 and name HN ))
(( segid "SEGA" and resid 213 and name HB# ))
6 6 0 peak 366 weight 0.10000E+01 volume 227.61690 ppm1 8.171 ppm2 1.477
ASSI { 386}
(( segid "SEGA" and resid 210 and name HN ))
(( segid "SEGA" and resid 210 and name HG2# ))
6 6 0 peak 386 weight 0.10000E+01 volume 111.38220 ppm1 8.008 ppm2 1.300
ASSI { 406}
(( segid "SEGA" and resid 205 and name HN ))
(( segid "SEGA" and resid 205 and name HD2 ))
6 6 0 peak 406 weight 0.10000E+01 volume 56.96310 ppm1 8.364 ppm2 3.316
ASSI { 416}
(( segid "SEGA" and resid 214 and name HN ))
(( segid "SEGA" and resid 214 and name HD2 ))
6 6 0 peak 416 weight 0.10000E+01 volume 54.21760 ppm1 8.197 ppm2 3.306
ASSI { 426}
(( segid "SEGA" and resid 206 and name HN ))
(( segid "SEGA" and resid 206 and name HA ))
6 6 0 peak 426 weight 0.10000E+01 volume 81.15100 ppm1 8.331 ppm2 4.381
ASSI { 436}
(( segid "SEGA" and resid 205 and name HN ))
(( segid "SEGA" and resid 205 and name HA ))
6 6 0 peak 436 weight 0.10000E+01 volume 238.86070 ppm1 8.363 ppm2 4.387
ASSI { 446}
(( segid "SEGA" and resid 213 and name HN ))
(( segid "SEGA" and resid 213 and name HA ))
6 6 0 peak 446 weight 0.10000E+01 volume 34.24460 ppm1 8.150 ppm2 4.431
ASSI { 456}
(( segid "SEGA" and resid 220 and name HN ))
(( segid "SEGA" and resid 220 and name HB ))
6 6 0 peak 456 weight 0.10000E+01 volume 290.31769 ppm1 8.052 ppm2 4.387
ASSI { 466}
(( segid "SEGA" and resid 220 and name HN ))
(( segid "SEGA" and resid 220 and name HB ))
6 6 0 peak 466 weight 0.10000E+01 volume 104.31060 ppm1 8.032 ppm2 1.294
ASSI { 476}
(( segid "SEGA" and resid 214 and name HN ))
(( segid "SEGA" and resid 214 and name HA ))
6 6 0 peak 476 weight 0.10000E+01 volume 109.03990 ppm1 8.198 ppm2 4.415
ASSI { 486}
(( segid "SEGA" and resid 206 and name HN ))
(( segid "SEGA" and resid 206 and name HB2 ))
6 6 0 peak 486 weight 0.10000E+01 volume 57.89380 ppm1 8.328 ppm2 1.872
ASSI { 496}
(( segid "SEGA" and resid 208 and name HN ))
(( segid "SEGA" and resid 208 and name HA ))
6 6 0 peak 496 weight 0.10000E+01 volume 74.06470 ppm1 8.255 ppm2 4.425
ASSI { 506}
(( segid "SEGA" and resid 208 and name HN ))
(( segid "SEGA" and resid 208 and name HD1# ))
6 6 0 peak 506 weight 0.10000E+01 volume 46.33090 ppm1 8.255 ppm2 1.016
ASSI { 516}
(( segid "SEGA" and resid 208 and name HN ))
(( segid "SEGA" and resid 208 and name HD2# ))
6 6 0 peak 516 weight 0.10000E+01 volume 28.06880 ppm1 8.255 ppm2 0.958
ASSI { 526}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 218 and name HD1 ))
6 6 0 peak 526 weight 0.10000E+01 volume 514.99652 ppm1 3.883 ppm2 3.743
ASSI { 536}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 218 and name HD2 ))
6 6 0 peak 536 weight 0.10000E+01 volume 367.92120 ppm1 3.746 ppm2 3.875
ASSI { 586}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 218 and name HG2 ))
6 6 0 peak 586 weight 0.10000E+01 volume 421.56799 ppm1 3.879 ppm2 2.394
ASSI { 596}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 218 and name HG2 ))
6 6 0 peak 596 weight 0.10000E+01 volume 360.45370 ppm1 3.737 ppm2 2.392
ASSI { 606}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 218 and name HG1 ))
6 6 0 peak 606 weight 0.10000E+01 volume 561.13373 ppm1 3.882 ppm2 2.118
ASSI { 616}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 218 and name HG1 ))
6 6 0 peak 616 weight 0.10000E+01 volume 298.52121 ppm1 3.739 ppm2 2.113
ASSI { 626}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 218 and name HB2 ))
6 6 0 peak 626 weight 0.10000E+01 volume 491.56500 ppm1 3.738 ppm2 2.003
ASSI { 636}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 218 and name HB2 ))
6 6 0 peak 636 weight 0.10000E+01 volume 298.03720 ppm1 3.873 ppm2 2.010
ASSI { 646}
(( segid "SEGA" and resid 218 and name HD1 ))
(( segid "SEGA" and resid 218 and name HA ))
6 6 0 peak 646 weight 0.10000E+01 volume 182.00160 ppm1 3.743 ppm2 4.525
ASSI { 656}
(( segid "SEGA" and resid 218 and name HD2 ))
(( segid "SEGA" and resid 218 and name HA ))
6 6 0 peak 656 weight 0.10000E+01 volume 114.86830 ppm1 3.879 ppm2 4.526
ASSI { 666}
(( segid "SEGA" and resid 206 and name HE2 ))
(( segid "SEGA" and resid 206 and name HG2 ))
6 6 0 peak 666 weight 0.10000E+01 volume 2827.20508 ppm1 3.094 ppm2 1.533
ASSI { 676}
(( segid "SEGA" and resid 206 and name HE2 ))
(( segid "SEGA" and resid 206 and name HB2 ))
6 6 0 peak 676 weight 0.10000E+01 volume 577.83588 ppm1 3.094 ppm2 1.916
ASSI { 726}
(( segid "SEGA" and resid 206 and name HE2 ))
(( segid "SEGA" and resid 206 and name HB1 ))
6 6 0 peak 726 weight 0.10000E+01 volume 2225.75757 ppm1 3.093 ppm2 1.787
ASSI { 816}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 218 and name HA ))
6 6 0 peak 816 weight 0.10000E+01 volume 959.15912 ppm1 2.116 ppm2 4.525
ASSI { 826}
(( segid "SEGA" and resid 218 and name HB2 ))
(( segid "SEGA" and resid 218 and name HA ))
6 6 0 peak 826 weight 0.10000E+01 volume 454.32880 ppm1 2.002 ppm2 4.519
ASSI { 886}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 218 and name HD2 ))
6 6 0 peak 886 weight 0.10000E+01 volume 1119.34399 ppm1 2.115 ppm2 3.883
ASSI { 906}
(( segid "SEGA" and resid 218 and name HB2 ))
(( segid "SEGA" and resid 218 and name HD2 ))
6 6 0 peak 906 weight 0.10000E+01 volume 663.71448 ppm1 2.004 ppm2 3.879
ASSI { 916}
(( segid "SEGA" and resid 218 and name HB2 ))
(( segid "SEGA" and resid 218 and name HD1 ))
6 6 0 peak 916 weight 0.10000E+01 volume 764.14062 ppm1 2.004 ppm2 3.739
ASSI { 926}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 218 and name HD1 ))
6 6 0 peak 926 weight 0.10000E+01 volume 1958.82703 ppm1 2.116 ppm2 3.742
ASSI { 956}
(( segid "SEGA" and resid 207 and name HB2 ))
(( segid "SEGA" and resid 207 and name HG2 ))
6 6 0 peak 956 weight 0.10000E+01 volume 756.07422 ppm1 2.170 ppm2 2.451
ASSI { 966}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 218 and name HG2 ))
6 6 0 peak 966 weight 0.10000E+01 volume 703.26001 ppm1 2.117 ppm2 2.392
ASSI { 976}
(( segid "SEGA" and resid 207 and name HB1 ))
(( segid "SEGA" and resid 207 and name HG2 ))
6 6 0 peak 976 weight 0.10000E+01 volume 637.43762 ppm1 2.067 ppm2 2.443
ASSI { 996}
(( segid "SEGA" and resid 218 and name HG2 ))
(( segid "SEGA" and resid 218 and name HG1 ))
6 6 0 peak 996 weight 0.10000E+01 volume 543.53802 ppm1 2.396 ppm2 2.115
ASSI { 1016}
(( segid "SEGA" and resid 218 and name HG1 ))
(( segid "SEGA" and resid 218 and name HB2 ))
6 6 0 peak 1016 weight 0.10000E+01 volume 1157.95679 ppm1 2.117 ppm2 1.996
ASSI { 1026}
(( segid "SEGA" and resid 218 and name HB2 ))
(( segid "SEGA" and resid 218 and name HG1 ))
6 6 0 peak 1026 weight 0.10000E+01 volume 1597.38525 ppm1 1.987 ppm2 2.117
ASSI { 1036}
(( segid "SEGA" and resid 207 and name HB2 ))
(( segid "SEGA" and resid 207 and name HB1 ))
6 6 0 peak 1036 weight 0.10000E+01 volume 606.22638 ppm1 2.153 ppm2 2.069
ASSI { 1346}
(( segid "SEGA" and resid 205 and name HN ))
(( segid "SEGA" and resid 205 and name HB1 ))
6 6 0 peak 1346 weight 0.10000E+01 volume 46.19260 ppm1 8.360 ppm2 1.933
ASSI { 1366}
(( segid "SEGA" and resid 217 and name HN ))
(( segid "SEGA" and resid 217 and name HA ))
6 6 0 peak 1366 weight 0.10000E+01 volume 304.75220 ppm1 8.247 ppm2 4.708
! F3 (1H): 0.04 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
Contact the webmaster for help, if required. Saturday, June 1, 2024 10:21:01 AM GMT (wattos1)