NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24639 |
2k3u   |
15778 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! CHIPS-C5aR(P7-28S) Aria1.2 protein-protein and peptide-peptide restraint file converted
! from XPLOR to Yasara XPLOR format.
!
! The difference lies in the order of the OR statement in the floating assignment protocol.
!
! Unambiguous and ambiguous restraints for both CHIPS(31-121) and C5aR(P7-28S) were separately
! taken directly from the Aria1.2 program, here merged here into one big file.
! Some restraint peaks of the two Aria runs are commented out, as they they show up as
! relatively large distance violations in the final complex. These violations originate
! from protein regions, that were flexible in first instance, but rather become conformationally
! restricted during docking of the peptide substrate in the second docking stage of the
! structure calculation.
!
! Standard Aria1.2 parameters and protocols were used to generate the restraints.
!
! Note that residues of chain A (31-121) and B (7-28) do not overlap in sequence numbering.
! So, the "SEGID" statements in the restraints have not been used in this file. Please
! rename segid from " " to "A " for the residue range 31-131 (CHIPS protein) and
! "B " for the residue range 7-28 (C5aR peptide), in order to introduce the correct PDB
! chain numbers in the segment identification.
!
! Unambiguous Aria1.2 Restraints CHIPS(31-121):
! -----------------------------------
ASSI ! 3!
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 31 and name HD22))
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.32662E-02 ppm1 7.746 ppm2 7.008 CV 1
ASSI ! 9!
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB1 ))
3.200 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.40357E-02 ppm1 8.147 ppm2 1.655 CV 1
ASSI ! 11!
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HD1#))
3.900 1.900 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.87889E-03 ppm1 8.146 ppm2 0.963 CV 1
ASSI ! 13!
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HD1 ))
4.900 3.000 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.48559E-03 ppm1 8.143 ppm2 3.868 CV 1
ASSI ! 18!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HG1 ) or ( segid " " and resid 35 and name HG2 ))
5.100 3.300 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.39006E-03 ppm1 7.310 ppm2 1.944 CV 1
ASSI ! 20!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.51927E-03 ppm1 7.303 ppm2 8.449 CV 1
ASSI ! 22!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB ))
3.700 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.97409E-03 ppm1 7.296 ppm2 4.496 CV 1
ASSI ! 25!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
4.400 2.400 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.46312E-03 ppm1 7.304 ppm2 9.071 CV 1
ASSI ! 26!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HB2 ) or ( segid " " and resid 40 and name HB1 ))
3.000 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.19554E-02 ppm1 7.294 ppm2 1.825 CV 1
ASSI ! 27!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HD1 ) or ( segid " " and resid 40 and name HD2 ))
5.000 3.100 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.33756E-03 ppm1 7.300 ppm2 1.709 CV 1
ASSI ! 28!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HG1 ))
4.100 2.100 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.39909E-03 ppm1 7.302 ppm2 1.543 CV 1
ASSI ! 29!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HG2 ))
4.500 2.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.34935E-03 ppm1 7.301 ppm2 1.432 CV 1
ASSI ! 30!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 41 and name HN ))
4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.32407E-03 ppm1 7.306 ppm2 8.030 CV 1
ASSI ! 31!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 88 and name HA ))
4.600 2.600 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.37176E-03 ppm1 7.306 ppm2 4.333 CV 1
ASSI ! 33!
(( segid " " and resid 37 and name HN ))
( segid " " and resid 89 and name HD2#)
5.200 3.400 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24579E-03 ppm1 7.297 ppm2 0.223 CV 1
ASSI ! 34!
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 89 and name HN ))
4.600 2.700 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.30710E-03 ppm1 7.303 ppm2 8.227 CV 1
ASSI ! 38!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB ))
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.25464E-02 ppm1 9.069 ppm2 4.504 CV 1
ASSI ! 40!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.600 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 9.066 ppm2 3.830 CV 1
ASSI ! 42!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.300 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 9.065 ppm2 1.009 CV 1
ASSI ! 43!
(( segid " " and resid 38 and name HN ))
( segid " " and resid 38 and name HD1#)
4.000 2.000 2.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 9.065 ppm2 0.847 CV 1
ASSI ! 47!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HA2 ))
5.200 3.400 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26522E-03 ppm1 9.066 ppm2 3.758 CV 1
ASSI ! 49!
(( segid " " and resid 38 and name HN ))
( segid " " and resid 80 and name HD1#)
4.900 2.900 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.45440E-03 ppm1 9.070 ppm2 0.710 CV 1
ASSI ! 50!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 87 and name HB ))
4.300 2.300 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12108E-02 ppm1 9.065 ppm2 2.071 CV 1
ASSI ! 51!
(( segid " " and resid 38 and name HN ))
( segid " " and resid 87 and name HG2#)
3.700 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 9.065 ppm2 0.988 CV 1
ASSI ! 52!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 87 and name HN ))
3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.88612E-03 ppm1 9.064 ppm2 6.987 CV 1
ASSI ! 53!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 88 and name HA ))
3.700 1.700 1.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.10544E-02 ppm1 9.062 ppm2 4.338 CV 1
ASSI ! 54!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 89 and name HB1 ))
5.400 3.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.36423E-03 ppm1 9.069 ppm2 1.753 CV 1
ASSI ! 55!
(( segid " " and resid 38 and name HN ))
( segid " " and resid 89 and name HD1#)
3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.74878E-03 ppm1 9.062 ppm2 0.640 CV 1
ASSI ! 56!
(( segid " " and resid 38 and name HN ))
( segid " " and resid 89 and name HD2#)
3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 9.063 ppm2 0.233 CV 1
ASSI ! 57!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 89 and name HG ))
3.400 1.400 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.65392E-03 ppm1 9.069 ppm2 1.312 CV 1
ASSI ! 58!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 89 and name HN ))
4.200 2.200 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.68062E-03 ppm1 9.069 ppm2 8.231 CV 1
ASSI ! 59!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HA ))
4.200 2.200 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.56014E-03 ppm1 8.753 ppm2 5.234 CV 1
ASSI ! 60!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HB ))
2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17533E-02 ppm1 8.754 ppm2 4.505 CV 1
ASSI ! 61!
(( segid " " and resid 39 and name HN ))
( segid " " and resid 37 and name HG2#)
4.200 2.200 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 8.752 ppm2 1.152 CV 1
ASSI ! 62!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB1 ))
3.300 1.300 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.15370E-02 ppm1 8.754 ppm2 2.158 CV 1
ASSI ! 63!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.000 1.200 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.99136E-03 ppm1 8.752 ppm2 1.015 CV 1
ASSI ! 64!
(( segid " " and resid 39 and name HN ))
( segid " " and resid 38 and name HD1#)
4.800 2.800 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.74317E-03 ppm1 8.751 ppm2 0.846 CV 1
ASSI ! 66!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HG ))
4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.79982E-03 ppm1 8.755 ppm2 1.418 CV 1
ASSI ! 67!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
2.600 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.23279E-02 ppm1 8.753 ppm2 9.069 CV 1
ASSI ! 68!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA1 ))
2.300 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.46113E-02 ppm1 8.753 ppm2 3.971 CV 1
ASSI ! 69!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA2 ))
2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.34368E-02 ppm1 8.751 ppm2 3.769 CV 1
ASSI ! 71!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HA ))
4.800 2.900 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.46038E-03 ppm1 8.753 ppm2 4.231 CV 1
ASSI ! 72!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HG1 ))
5.500 3.800 0.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.21230E-03 ppm1 8.752 ppm2 1.541 CV 1
ASSI ! 74!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 41 and name HB1 ))
4.400 2.400 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.41706E-03 ppm1 8.752 ppm2 1.756 CV 1
ASSI ! 75!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 41 and name HN ))
4.300 2.300 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.46241E-03 ppm1 8.752 ppm2 8.037 CV 1
ASSI ! 76!
(( segid " " and resid 39 and name HN ))
( segid " " and resid 80 and name HD1#)
3.700 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 8.751 ppm2 0.711 CV 1
ASSI ! 77!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 85 and name HA ))
2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.35763E-02 ppm1 8.754 ppm2 3.552 CV 1
ASSI ! 78!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
4.400 2.400 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 8.753 ppm2 1.841 CV 1
ASSI ! 79!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 85 and name HD2 ) or ( segid " " and resid 85 and name HD1 ))
5.100 3.300 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.54473E-03 ppm1 8.752 ppm2 1.672 CV 1
ASSI ! 81!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 85 and name HG2 ))
4.700 2.800 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.67535E-03 ppm1 8.751 ppm2 1.331 CV 1
ASSI ! 82!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 87 and name HB ))
4.700 2.700 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.51483E-03 ppm1 8.752 ppm2 2.068 CV 1
ASSI ! 83!
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 87 and name HN ))
3.800 1.800 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.61147E-03 ppm1 8.754 ppm2 6.988 CV 1
ASSI ! 84!
(( segid " " and resid 39 and name HN ))
( segid " " and resid 89 and name HD1#)
4.900 3.000 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.27634E-03 ppm1 8.751 ppm2 0.639 CV 1
ASSI ! 85!
(( segid " " and resid 39 and name HN ))
( segid " " and resid 89 and name HD2#)
5.200 3.400 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.33656E-03 ppm1 8.751 ppm2 0.220 CV 1
ASSI ! 87!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 37 and name HB ))
4.200 2.200 1.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.51857E-03 ppm1 7.346 ppm2 4.507 CV 1
ASSI ! 88!
(( segid " " and resid 40 and name HN ))
( segid " " and resid 37 and name HG2#)
4.700 2.800 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.56737E-03 ppm1 7.344 ppm2 1.153 CV 1
ASSI ! 90!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA2 ))
3.700 1.700 1.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.88060E-03 ppm1 7.341 ppm2 3.765 CV 1
ASSI ! 91!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
2.600 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.26664E-02 ppm1 7.342 ppm2 8.757 CV 1
ASSI ! 92!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
2.800 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 7.341 ppm2 4.241 CV 1
ASSI ! 93!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ) or ( segid " " and resid 40 and name HB1 ))
2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.50399E-02 ppm1 7.342 ppm2 1.829 CV 1
ASSI ! 94!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HD2 ) or ( segid " " and resid 40 and name HD1 ))
4.100 2.100 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.85032E-03 ppm1 7.342 ppm2 1.711 CV 1
ASSI ! 95!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HE1 ) or ( segid " " and resid 40 and name HE2 ))
5.600 3.900 0.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.20807E-03 ppm1 7.339 ppm2 2.975 CV 1
ASSI ! 96!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG1 ))
3.200 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 7.343 ppm2 1.546 CV 1
ASSI ! 97!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG2 ))
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.20926E-02 ppm1 7.342 ppm2 1.442 CV 1
ASSI ! 99!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HA ))
5.200 3.400 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.35338E-03 ppm1 7.343 ppm2 4.062 CV 1
ASSI ! 100!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.36861E-02 ppm1 7.343 ppm2 8.035 CV 1
ASSI ! 101!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HN ))
3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.67070E-03 ppm1 7.345 ppm2 9.030 CV 1
ASSI ! 102!
(( segid " " and resid 40 and name HN ))
( segid " " and resid 80 and name HD1#)
4.800 2.900 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.54361E-03 ppm1 7.341 ppm2 0.710 CV 1
ASSI ! 103!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 85 and name HA ))
5.100 3.300 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.37989E-03 ppm1 7.340 ppm2 3.554 CV 1
ASSI ! 104!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 35 and name HB1 ))
3.200 3.200 2.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.37531E-03 ppm1 8.038 ppm2 2.226 CV 1
! Distance HN Leu41 - HG2# Thr36 not realistic, spin diffusion over Pro35
! ASSI ! 105!
! (( segid " " and resid 41 and name HN ))
! ( segid " " and resid 36 and name HG2#)
! 4.600 2.600 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.43824E-03 ppm1 8.037 ppm2 1.196 CV 1
ASSI ! 106!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 38 and name HA ))
3.600 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.79284E-03 ppm1 8.038 ppm2 3.832 CV 1
ASSI ! 110!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ) or ( segid " " and resid 40 and name HB1 ))
2.700 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.25107E-02 ppm1 8.035 ppm2 1.819 CV 1
ASSI ! 111!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG1 ))
4.500 2.600 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.54091E-03 ppm1 8.033 ppm2 1.540 CV 1
ASSI ! 115!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 8.037 ppm2 1.431 CV 1
ASSI ! 116!
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HD1#)
4.600 2.600 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.95261E-03 ppm1 8.032 ppm2 0.818 CV 1
ASSI ! 117!
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HD2#)
4.300 2.300 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 8.034 ppm2 0.920 CV 1
ASSI ! 118!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG ))
4.500 2.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.76705E-03 ppm1 8.034 ppm2 1.626 CV 1
ASSI ! 120!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HB1 ))
5.000 3.100 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.33715E-03 ppm1 8.039 ppm2 2.713 CV 1
ASSI ! 121!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HB2 ))
5.500 3.700 0.500 peak 121 spectrum 1 weight 0.10000E+01 volume 0.29252E-03 ppm1 8.032 ppm2 2.456 CV 1
ASSI ! 122!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
2.600 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.31437E-02 ppm1 8.037 ppm2 9.024 CV 1
ASSI ! 123!
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 43 and name HN ))
3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.54120E-03 ppm1 8.041 ppm2 7.265 CV 1
ASSI ! 124!
(( segid " " and resid 41 and name HN ))
( segid " " and resid 89 and name HD1#)
4.200 2.200 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.59120E-03 ppm1 8.038 ppm2 0.642 CV 1
ASSI ! 125!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 38 and name HA ))
3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 9.022 ppm2 3.830 CV 1
ASSI ! 126!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 38 and name HB1 ))
3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.69125E-03 ppm1 9.021 ppm2 2.159 CV 1
ASSI ! 127!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 38 and name HD2#)
3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 9.019 ppm2 0.489 CV 1
ASSI ! 128!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HA1 ))
4.100 2.100 1.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.65487E-03 ppm1 9.022 ppm2 3.962 CV 1
ASSI ! 129!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HA2 ))
3.600 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.67556E-03 ppm1 9.022 ppm2 3.770 CV 1
ASSI ! 130!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HN ))
4.000 2.000 2.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.47134E-03 ppm1 9.023 ppm2 8.746 CV 1
ASSI ! 131!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 40 and name HA ))
4.200 2.300 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.36441E-03 ppm1 9.020 ppm2 4.235 CV 1
ASSI ! 132!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 40 and name HB2 ) or ( segid " " and resid 40 and name HB1 ))
3.400 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10709E-02 ppm1 9.021 ppm2 1.818 CV 1
ASSI ! 134!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.800 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.33899E-02 ppm1 9.023 ppm2 4.051 CV 1
ASSI ! 136!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.800 1.800 1.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 9.024 ppm2 1.429 CV 1
ASSI ! 137!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HD1#)
4.600 2.700 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.89023E-03 ppm1 9.021 ppm2 0.824 CV 1
ASSI ! 138!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HD2#)
3.100 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.15877E-02 ppm1 9.022 ppm2 0.922 CV 1
ASSI ! 139!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HG ))
3.900 1.900 1.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.95062E-03 ppm1 9.023 ppm2 1.624 CV 1
ASSI ! 141!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB1 ))
2.400 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.47251E-02 ppm1 9.021 ppm2 2.707 CV 1
ASSI ! 142!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB2 ))
2.600 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.46669E-02 ppm1 9.021 ppm2 2.458 CV 1
ASSI ! 144!
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HN ))
2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.35703E-02 ppm1 9.021 ppm2 7.253 CV 1
ASSI ! 145!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 62 and name HE# )
4.600 2.600 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 9.023 ppm2 1.997 CV 1
ASSI ! 146!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 80 and name HD1#)
3.700 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 9.020 ppm2 0.710 CV 1
ASSI ! 147!
(( segid " " and resid 42 and name HN ))
( segid " " and resid 89 and name HD1#)
3.000 3.000 3.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.57202E-03 ppm1 9.023 ppm2 0.639 CV 1
ASSI ! 148!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB1 ) or ( segid " " and resid 43 and name HG2 ))
2.300 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.82220E-02 ppm1 7.258 ppm2 2.168 CV 1
ASSI ! 151!
(( segid " " and resid 43 and name HN ))
( segid " " and resid 38 and name HD2#)
5.200 3.400 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27254E-03 ppm1 7.259 ppm2 0.490 CV 1
ASSI ! 152!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 39 and name HA2 ))
3.700 1.700 1.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.41006E-03 ppm1 7.260 ppm2 3.768 CV 1
ASSI ! 154!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 40 and name HN ))
3.400 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 7.262 ppm2 7.337 CV 1
ASSI ! 155!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HA ))
3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 7.259 ppm2 4.048 CV 1
ASSI ! 156!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HB1 ))
4.400 2.500 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.46624E-03 ppm1 7.261 ppm2 1.752 CV 1
ASSI ! 157!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.300 3.300 2.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.33395E-03 ppm1 7.260 ppm2 1.421 CV 1
ASSI ! 158!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HG ))
4.700 2.700 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.37213E-03 ppm1 7.258 ppm2 1.640 CV 1
ASSI ! 161!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB1 ))
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 7.263 ppm2 2.711 CV 1
ASSI ! 162!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB2 ))
3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.16003E-02 ppm1 7.262 ppm2 2.459 CV 1
ASSI ! 164!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 7.260 ppm2 3.865 CV 1
ASSI ! 168!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 45 and name HN ))
4.100 2.200 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.53721E-03 ppm1 7.262 ppm2 8.735 CV 1
ASSI ! 169!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 47 and name HN ))
3.800 3.800 2.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 7.261 ppm2 7.436 CV 1
ASSI ! 170!
(( segid " " and resid 43 and name HN ))
( segid " " and resid 80 and name HD1#)
4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.59772E-03 ppm1 7.259 ppm2 0.710 CV 1
ASSI ! 171!
(( segid " " and resid 43 and name HN ))
( segid " " and resid 80 and name HD2#)
4.000 2.000 2.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.55084E-03 ppm1 7.257 ppm2 0.922 CV 1
ASSI ! 172!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 40 and name HA ))
4.400 2.500 1.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.37730E-03 ppm1 7.239 ppm2 4.242 CV 1
ASSI ! 173!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 41 and name HA ))
3.300 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 7.234 ppm2 4.066 CV 1
ASSI ! 174!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HA ))
3.500 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.98588E-03 ppm1 7.234 ppm2 4.049 CV 1
ASSI ! 175!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.40795E-03 ppm1 7.231 ppm2 9.022 CV 1
ASSI ! 176!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.400 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 7.233 ppm2 3.867 CV 1
ASSI ! 177!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB1 ))
2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 7.232 ppm2 2.167 CV 1
ASSI ! 178!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.600 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 7.234 ppm2 2.090 CV 1
ASSI ! 179!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HG1 ))
4.800 2.900 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.49473E-03 ppm1 7.232 ppm2 2.391 CV 1
ASSI ! 180!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.25508E-02 ppm1 7.232 ppm2 3.913 CV 1
ASSI ! 181!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB1 ))
2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.38867E-02 ppm1 7.234 ppm2 1.862 CV 1
ASSI ! 182!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.31636E-02 ppm1 7.234 ppm2 1.629 CV 1
ASSI ! 185!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HE ))
4.300 2.300 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.75143E-03 ppm1 7.235 ppm2 7.529 CV 1
ASSI ! 187!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG2 ))
4.300 2.300 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.91573E-03 ppm1 7.231 ppm2 1.217 CV 1
ASSI ! 189!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HB2 ))
4.800 2.900 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.39566E-03 ppm1 7.234 ppm2 1.439 CV 1
ASSI ! 190!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1#))
4.500 2.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.85418E-03 ppm1 7.235 ppm2 0.922 CV 1
ASSI ! 191!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.36766E-02 ppm1 7.235 ppm2 8.735 CV 1
ASSI ! 192!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 46 and name HN ))
4.300 2.300 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.39340E-03 ppm1 7.232 ppm2 8.275 CV 1
ASSI ! 193!
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 47 and name HD21))
4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.56064E-03 ppm1 7.234 ppm2 7.454 CV 1
ASSI ! 194!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HB1 ) or ( segid " " and resid 43 and name HG2 ))
3.700 1.700 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.48953E-03 ppm1 8.732 ppm2 2.163 CV 1
ASSI ! 195!
(( segid " " and resid 45 and name HN ))
( segid " " and resid 41 and name HD1#)
5.100 3.200 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.55009E-03 ppm1 8.732 ppm2 0.820 CV 1
ASSI ! 196!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 42 and name HA ))
3.200 1.300 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.13525E-02 ppm1 8.732 ppm2 4.041 CV 1
ASSI ! 197!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 42 and name HN ))
4.400 2.500 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.36713E-03 ppm1 8.733 ppm2 9.020 CV 1
ASSI ! 198!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.000 3.000 3.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.52064E-03 ppm1 8.734 ppm2 2.070 CV 1
ASSI ! 199!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
3.500 1.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.87350E-03 ppm1 8.734 ppm2 3.910 CV 1
ASSI ! 200!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB1 ))
2.400 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.32082E-02 ppm1 8.732 ppm2 1.853 CV 1
ASSI ! 201!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.200 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.27049E-02 ppm1 8.732 ppm2 1.624 CV 1
ASSI ! 202!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HG1 ))
4.500 2.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.58892E-03 ppm1 8.731 ppm2 1.345 CV 1
ASSI ! 206!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB1 ))
3.200 1.300 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 8.732 ppm2 1.909 CV 1
ASSI ! 208!
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HD1#)
3.600 1.600 1.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.33313E-02 ppm1 8.731 ppm2 0.933 CV 1
ASSI ! 210!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG ))
2.100 0.600 0.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.49348E-02 ppm1 8.732 ppm2 1.801 CV 1
ASSI ! 212!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 8.734 ppm2 8.273 CV 1
ASSI ! 213!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 47 and name HN ))
3.800 1.800 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.59777E-03 ppm1 8.733 ppm2 7.423 CV 1
ASSI ! 214!
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 48 and name HN ))
3.700 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.80592E-03 ppm1 8.736 ppm2 8.931 CV 1
ASSI ! 216!
(( segid " " and resid 45 and name HN ))
( segid " " and resid 64 and name HD1#)
5.900 4.400 0.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.26735E-03 ppm1 8.734 ppm2 0.631 CV 1
ASSI ! 217!
(( segid " " and resid 46 and name HE ))
(( segid " " and resid 46 and name HB1 ))
4.200 2.200 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.85273E-03 ppm1 9.531 ppm2 1.939 CV 1
ASSI ! 218!
(( segid " " and resid 46 and name HE ))
(( segid " " and resid 46 and name HB2 ))
4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.52982E-03 ppm1 9.530 ppm2 1.737 CV 1
ASSI ! 222!
(( segid " " and resid 46 and name HE ))
(( segid " " and resid 46 and name HG1 ) or ( segid " " and resid 46 and name HG2 ))
3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.65367E-03 ppm1 9.529 ppm2 1.411 CV 1
ASSI ! 223!
(( segid " " and resid 46 and name HE ))
(( segid " " and resid 46 and name HH12) or ( segid " " and resid 46 and name HH11))
4.500 2.500 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.36743E-03 ppm1 9.531 ppm2 6.592 CV 1
ASSI ! 224!
(( segid " " and resid 46 and name HE ))
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
2.800 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 9.531 ppm2 6.217 CV 1
ASSI ! 228!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HB1 ))
5.900 4.300 0.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.35050E-03 ppm1 8.279 ppm2 2.962 CV 1
ASSI ! 229!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HB1 ) or ( segid " " and resid 43 and name HG2 ))
4.200 2.300 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.31833E-03 ppm1 8.282 ppm2 2.171 CV 1
ASSI ! 231!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HN ))
4.000 2.000 2.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47031E-03 ppm1 8.278 ppm2 7.259 CV 1
ASSI ! 233!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1#))
4.400 2.400 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 8.280 ppm2 0.923 CV 1
ASSI ! 236!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB1 ))
3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.31651E-02 ppm1 8.279 ppm2 1.931 CV 1
ASSI ! 237!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.600 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.22837E-02 ppm1 8.277 ppm2 1.735 CV 1
ASSI ! 238!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HD1 ))
5.300 3.600 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.40358E-03 ppm1 8.279 ppm2 3.283 CV 1
ASSI ! 239!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HD2 ))
4.400 2.400 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.59760E-03 ppm1 8.279 ppm2 2.853 CV 1
ASSI ! 240!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HE ))
4.800 2.900 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.36201E-03 ppm1 8.284 ppm2 9.537 CV 1
ASSI ! 241!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HG1 ) or ( segid " " and resid 46 and name HG2 ))
3.100 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.15142E-02 ppm1 8.277 ppm2 1.422 CV 1
ASSI ! 243!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.34995E-02 ppm1 8.276 ppm2 7.434 CV 1
ASSI ! 244!
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 48 and name HN ))
4.200 2.200 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.43642E-03 ppm1 8.274 ppm2 8.944 CV 1
ASSI ! 246!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 43 and name HG2 ))
4.000 2.000 2.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.52019E-03 ppm1 7.474 ppm2 2.168 CV 1
ASSI ! 247!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 44 and name HA ))
3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.53875E-03 ppm1 7.469 ppm2 3.922 CV 1
ASSI ! 248!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 45 and name HN ))
4.400 2.400 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.24512E-03 ppm1 7.465 ppm2 8.733 CV 1
ASSI ! 249!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 47 and name HA ))
3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.44256E-03 ppm1 7.470 ppm2 4.457 CV 1
ASSI ! 250!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 47 and name HB1 ))
3.400 1.500 1.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.13963E-02 ppm1 7.469 ppm2 2.966 CV 1
ASSI ! 251!
(( segid " " and resid 47 and name HD21))
(( segid " " and resid 47 and name HB2 ))
3.200 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.70841E-03 ppm1 7.469 ppm2 2.855 CV 1
ASSI ! 253!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 43 and name HG2 ))
3.700 1.700 1.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.52376E-03 ppm1 7.058 ppm2 2.171 CV 1
ASSI ! 254!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 44 and name HA ))
3.400 3.400 2.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.24987E-03 ppm1 7.062 ppm2 3.907 CV 1
ASSI ! 255!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 47 and name HA ))
4.800 2.800 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.32958E-03 ppm1 7.056 ppm2 4.451 CV 1
ASSI ! 256!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 47 and name HB1 ))
4.400 2.400 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.82441E-03 ppm1 7.056 ppm2 2.968 CV 1
ASSI ! 257!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 47 and name HB2 ))
4.400 2.400 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.67327E-03 ppm1 7.057 ppm2 2.856 CV 1
ASSI ! 258!
(( segid " " and resid 47 and name HD22))
(( segid " " and resid 47 and name HD21))
1.700 0.300 0.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.21520E-01 ppm1 7.058 ppm2 7.467 CV 1
ASSI ! 261!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 44 and name HN ))
3.800 1.800 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.58448E-03 ppm1 7.429 ppm2 7.241 CV 1
ASSI ! 263!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.300 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 7.430 ppm2 3.853 CV 1
ASSI ! 264!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB1 ))
3.700 1.700 1.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.72568E-03 ppm1 7.429 ppm2 1.925 CV 1
ASSI ! 265!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
3.000 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14257E-02 ppm1 7.429 ppm2 1.731 CV 1
ASSI ! 266!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HD1 ))
5.000 3.100 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.36167E-03 ppm1 7.428 ppm2 3.281 CV 1
ASSI ! 267!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HG1 ) or ( segid " " and resid 46 and name HG2 ))
4.600 2.600 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.41408E-03 ppm1 7.430 ppm2 1.417 CV 1
ASSI ! 272!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HD22))
5.200 3.400 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.31796E-03 ppm1 7.433 ppm2 7.064 CV 1
ASSI ! 277!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 44 and name HA ))
3.700 1.700 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.72124E-03 ppm1 8.946 ppm2 3.913 CV 1
ASSI ! 278!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HA ))
3.200 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.14976E-02 ppm1 8.947 ppm2 3.816 CV 1
ASSI ! 279!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HB1 ))
4.600 2.700 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.41860E-03 ppm1 8.949 ppm2 1.906 CV 1
ASSI ! 280!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HB2 ))
4.700 2.800 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.31643E-03 ppm1 8.953 ppm2 1.457 CV 1
ASSI ! 281!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1#))
4.400 2.400 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.77619E-03 ppm1 8.943 ppm2 0.916 CV 1
ASSI ! 283!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.16731E-02 ppm1 8.945 ppm2 4.463 CV 1
ASSI ! 284!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB1 ))
3.200 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.25635E-02 ppm1 8.946 ppm2 2.972 CV 1
ASSI ! 285!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29539E-02 ppm1 8.945 ppm2 2.870 CV 1
ASSI ! 286!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
2.300 0.600 0.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.60150E-02 ppm1 8.945 ppm2 7.434 CV 1
ASSI ! 287!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.24823E-02 ppm1 8.944 ppm2 4.184 CV 1
ASSI ! 288!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB1 ))
3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.27869E-02 ppm1 8.945 ppm2 3.410 CV 1
ASSI ! 289!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 8.945 ppm2 3.292 CV 1
ASSI ! 290!
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HD# )
4.100 2.100 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 8.946 ppm2 7.012 CV 1
ASSI ! 292!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.41366E-02 ppm1 8.945 ppm2 8.294 CV 1
ASSI ! 293!
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 50 and name HN ))
3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.58053E-03 ppm1 8.949 ppm2 7.325 CV 1
ASSI ! 294!
(( segid " " and resid 48 and name HN ))
( segid " " and resid 110 and name HD1#)
4.500 2.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.85211E-03 ppm1 8.944 ppm2 1.032 CV 1
ASSI ! 295!
(( segid " " and resid 48 and name HN ))
( segid " " and resid 110 and name HG2#)
5.300 3.500 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35330E-03 ppm1 8.952 ppm2 0.816 CV 1
ASSI ! 296!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 46 and name HA ))
3.300 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11619E-02 ppm1 8.298 ppm2 3.867 CV 1
ASSI ! 298!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HB1 ))
4.900 3.000 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.23664E-03 ppm1 8.300 ppm2 2.970 CV 1
ASSI ! 299!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.300 3.300 2.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.29581E-03 ppm1 8.302 ppm2 2.865 CV 1
ASSI ! 300!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 8.298 ppm2 7.433 CV 1
ASSI ! 302!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
3.700 1.700 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 8.299 ppm2 3.299 CV 1
ASSI ! 303!
(( segid " " and resid 49 and name HN ))
( segid " " and resid 48 and name HD# )
4.900 3.000 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.25275E-03 ppm1 8.304 ppm2 7.013 CV 1
ASSI ! 305!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.31960E-02 ppm1 8.298 ppm2 3.405 CV 1
ASSI ! 306!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB1 ))
3.300 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.33774E-02 ppm1 8.300 ppm2 1.611 CV 1
ASSI ! 307!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB2 ))
2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.40479E-02 ppm1 8.299 ppm2 1.048 CV 1
ASSI ! 308!
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HD1#)
4.000 2.000 2.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.13843E-02 ppm1 8.301 ppm2 0.601 CV 1
ASSI ! 310!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG ))
3.000 1.100 1.100 peak 310 spectrum 1 weight 0.10000E+01 volume 0.89439E-03 ppm1 8.297 ppm2 0.804 CV 1
ASSI ! 312!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.600 2.700 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.44173E-03 ppm1 8.297 ppm2 1.905 CV 1
ASSI ! 313!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HN ))
2.500 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.37124E-02 ppm1 8.299 ppm2 7.324 CV 1
ASSI ! 314!
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
4.600 2.600 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.74417E-03 ppm1 8.297 ppm2 0.920 CV 1
ASSI ! 315!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 47 and name HA ))
3.400 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 7.319 ppm2 4.454 CV 1
ASSI ! 316!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 48 and name HA ))
4.200 2.200 1.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.30915E-03 ppm1 7.320 ppm2 4.198 CV 1
ASSI ! 318!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
3.600 1.600 1.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.68316E-03 ppm1 7.325 ppm2 3.402 CV 1
ASSI ! 321!
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HD1#)
5.000 3.200 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.43380E-03 ppm1 7.319 ppm2 0.593 CV 1
ASSI ! 322!
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HD2#)
5.000 3.200 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.50627E-03 ppm1 7.318 ppm2 -1.144 CV 1
ASSI ! 325!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.800 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.26549E-02 ppm1 7.323 ppm2 3.894 CV 1
ASSI ! 326!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB1 ))
3.200 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.33132E-02 ppm1 7.317 ppm2 1.948 CV 1
ASSI ! 327!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.40376E-02 ppm1 7.317 ppm2 1.903 CV 1
ASSI ! 328!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HD2 ) or ( segid " " and resid 50 and name HD1 ))
4.100 2.100 1.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.99705E-03 ppm1 7.318 ppm2 1.684 CV 1
ASSI ! 329!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HE1 ) or ( segid " " and resid 50 and name HE2 ))
5.000 3.200 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.36107E-03 ppm1 7.320 ppm2 2.975 CV 1
ASSI ! 333!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HB1 ) or ( segid " " and resid 51 and name HB2 ))
5.000 3.100 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42786E-03 ppm1 7.314 ppm2 1.297 CV 1
ASSI ! 334!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HG1 ) or ( segid " " and resid 51 and name HG2 ))
4.800 2.800 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.35133E-03 ppm1 7.319 ppm2 1.169 CV 1
ASSI ! 335!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HN ))
2.400 0.700 0.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.48351E-02 ppm1 7.321 ppm2 7.436 CV 1
ASSI ! 336!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 53 and name HG1 ))
4.800 2.900 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.26418E-03 ppm1 7.320 ppm2 3.625 CV 1
ASSI ! 337!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 53 and name HN ))
4.500 2.600 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.33361E-03 ppm1 7.314 ppm2 7.136 CV 1
ASSI ! 338!
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 56 and name HB2 ))
4.700 2.800 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.32889E-03 ppm1 7.317 ppm2 3.733 CV 1
ASSI ! 342!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 47 and name HA ))
3.200 3.200 2.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.36363E-03 ppm1 7.432 ppm2 4.457 CV 1
ASSI ! 343!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 48 and name HA ))
3.200 1.300 1.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 7.435 ppm2 4.178 CV 1
ASSI ! 344!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 48 and name HN ))
3.200 3.200 2.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.38072E-03 ppm1 7.433 ppm2 8.940 CV 1
ASSI ! 345!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 49 and name HA ))
4.600 2.600 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.32750E-03 ppm1 7.432 ppm2 3.409 CV 1
ASSI ! 346!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
3.400 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 7.436 ppm2 3.891 CV 1
ASSI ! 347!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB1 ))
3.500 1.500 1.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.16748E-02 ppm1 7.435 ppm2 1.947 CV 1
ASSI ! 348!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
2.700 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.16871E-02 ppm1 7.436 ppm2 1.905 CV 1
ASSI ! 349!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HD2 ) or ( segid " " and resid 50 and name HD1 ))
3.100 3.100 2.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.42595E-03 ppm1 7.432 ppm2 1.684 CV 1
ASSI ! 350!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HG1 ))
4.400 2.400 1.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.47325E-03 ppm1 7.436 ppm2 1.551 CV 1
ASSI ! 351!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HG2 ))
4.500 2.500 1.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.53564E-03 ppm1 7.436 ppm2 1.446 CV 1
ASSI ! 354!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB1 ) or ( segid " " and resid 51 and name HB2 ))
2.600 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.58352E-02 ppm1 7.435 ppm2 1.309 CV 1
ASSI ! 355!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HE2 ) or ( segid " " and resid 51 and name HE1 ))
4.900 3.000 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.40424E-03 ppm1 7.428 ppm2 2.842 CV 1
ASSI ! 359!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HN ))
2.300 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.53900E-02 ppm1 7.436 ppm2 8.293 CV 1
ASSI ! 360!
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 53 and name HN ))
4.600 2.600 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.73789E-03 ppm1 7.433 ppm2 7.140 CV 1
ASSI ! 364!
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HB1 ))
3.100 3.100 2.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.43218E-03 ppm1 8.305 ppm2 1.962 CV 1
ASSI ! 365!
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HN ))
3.800 1.800 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.65678E-03 ppm1 8.291 ppm2 7.326 CV 1
ASSI ! 373!
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 53 and name HG1 ))
4.900 3.000 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.43455E-03 ppm1 8.287 ppm2 3.613 CV 1
ASSI ! 374!
(( segid " " and resid 52 and name HN ))
( segid " " and resid 53 and name HG2#)
4.800 2.900 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.46520E-03 ppm1 8.289 ppm2 0.245 CV 1
ASSI ! 378!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 51 and name HA ))
4.200 2.300 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.42857E-03 ppm1 7.139 ppm2 4.082 CV 1
ASSI ! 382!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
2.500 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.39706E-02 ppm1 7.146 ppm2 8.288 CV 1
ASSI ! 384!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB ))
3.800 1.800 1.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.90776E-03 ppm1 7.145 ppm2 4.330 CV 1
ASSI ! 385!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HG1 ))
2.400 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.50278E-02 ppm1 7.149 ppm2 3.622 CV 1
ASSI ! 388!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
4.300 2.300 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.69458E-03 ppm1 7.143 ppm2 8.412 CV 1
ASSI ! 389!
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 56 and name HB1 ))
4.300 2.400 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.37900E-03 ppm1 7.146 ppm2 3.792 CV 1
ASSI ! 392!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG1 ))
4.800 2.800 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.41021E-03 ppm1 8.413 ppm2 3.625 CV 1
ASSI ! 393!
(( segid " " and resid 54 and name HN ))
( segid " " and resid 53 and name HG2#)
4.100 2.100 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 8.413 ppm2 0.244 CV 1
ASSI ! 395!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
2.500 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.49165E-02 ppm1 8.411 ppm2 4.343 CV 1
ASSI ! 396!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB1 ))
2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.32060E-02 ppm1 8.413 ppm2 1.877 CV 1
ASSI ! 397!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
2.600 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.35028E-02 ppm1 8.414 ppm2 1.840 CV 1
ASSI ! 399!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG1 ))
2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.21037E-02 ppm1 8.412 ppm2 1.576 CV 1
ASSI ! 400!
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG2 ))
2.900 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 8.413 ppm2 1.521 CV 1
ASSI ! 403!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 55 and name HA ))
5.000 3.100 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.30111E-03 ppm1 7.541 ppm2 4.991 CV 1
ASSI ! 406!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 55 and name HD22))
1.400 0.200 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.32753E-01 ppm1 7.534 ppm2 6.834 CV 1
ASSI ! 407!
(( segid " " and resid 55 and name HD21))
( segid " " and resid 57 and name HB# )
5.400 3.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.61662E-03 ppm1 7.536 ppm2 1.490 CV 1
ASSI ! 408!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 58 and name HB1 ))
3.200 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.52492E-03 ppm1 7.539 ppm2 2.092 CV 1
ASSI ! 409!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 58 and name HB2 ))
4.800 2.900 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.63955E-03 ppm1 7.533 ppm2 1.647 CV 1
ASSI ! 410!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 58 and name HE21))
4.000 2.000 2.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.32058E-03 ppm1 7.529 ppm2 7.148 CV 1
ASSI ! 411!
(( segid " " and resid 55 and name HD21))
(( segid " " and resid 58 and name HN ))
4.200 2.200 1.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.24277E-03 ppm1 7.529 ppm2 7.108 CV 1
ASSI ! 413!
(( segid " " and resid 55 and name HD22))
(( segid " " and resid 55 and name HB2 ))
4.400 2.400 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10921E-02 ppm1 6.834 ppm2 2.660 CV 1
ASSI ! 416!
(( segid " " and resid 55 and name HD22))
(( segid " " and resid 57 and name HN ))
3.900 1.900 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29645E-03 ppm1 6.828 ppm2 8.124 CV 1
ASSI ! 417!
(( segid " " and resid 55 and name HD22))
(( segid " " and resid 58 and name HB1 ))
3.900 1.900 1.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.41989E-03 ppm1 6.837 ppm2 2.101 CV 1
ASSI ! 419!
(( segid " " and resid 55 and name HD22))
(( segid " " and resid 58 and name HE21))
5.300 3.500 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.29662E-03 ppm1 6.827 ppm2 7.150 CV 1
ASSI ! 422!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 53 and name HA ))
4.300 2.300 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 7.828 ppm2 4.842 CV 1
ASSI ! 423!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 53 and name HG1 ))
4.100 2.100 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.34468E-03 ppm1 7.824 ppm2 3.613 CV 1
ASSI ! 424!
(( segid " " and resid 55 and name HN ))
( segid " " and resid 53 and name HG2#)
4.200 2.200 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.14529E-02 ppm1 7.825 ppm2 0.244 CV 1
ASSI ! 425!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.700 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.52372E-02 ppm1 7.826 ppm2 4.337 CV 1
ASSI ! 426!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.300 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25209E-02 ppm1 7.825 ppm2 1.886 CV 1
ASSI ! 427!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 7.826 ppm2 1.844 CV 1
ASSI ! 428!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HD2 ) or ( segid " " and resid 54 and name HD1 ))
3.200 3.200 2.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.39388E-03 ppm1 7.827 ppm2 1.707 CV 1
ASSI ! 429!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG1 ))
3.800 1.800 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.70268E-03 ppm1 7.827 ppm2 1.575 CV 1
ASSI ! 430!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG2 ))
4.200 2.200 1.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.63049E-03 ppm1 7.826 ppm2 1.512 CV 1
ASSI ! 431!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HN ))
2.200 0.600 0.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.82258E-02 ppm1 7.826 ppm2 8.416 CV 1
ASSI ! 432!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.800 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 7.826 ppm2 4.993 CV 1
ASSI ! 433!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB1 ))
2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.28084E-02 ppm1 7.826 ppm2 2.892 CV 1
ASSI ! 434!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.200 1.300 1.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 7.827 ppm2 2.658 CV 1
ASSI ! 435!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HD21))
4.500 2.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.54315E-03 ppm1 7.821 ppm2 7.531 CV 1
ASSI ! 436!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HD22))
5.700 4.000 0.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.30839E-03 ppm1 7.827 ppm2 6.822 CV 1
ASSI ! 438!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HA ))
4.000 2.000 2.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.35213E-03 ppm1 7.824 ppm2 4.144 CV 1
ASSI ! 439!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
4.200 2.200 1.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.58061E-03 ppm1 7.823 ppm2 8.561 CV 1
ASSI ! 440!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 58 and name HE21))
3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16219E-02 ppm1 7.831 ppm2 7.154 CV 1
ASSI ! 441!
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 58 and name HE22))
4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.64569E-03 ppm1 7.828 ppm2 6.746 CV 1
ASSI ! 442!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 58 and name HN ))
4.800 2.800 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36165E-03 ppm1 8.567 ppm2 7.121 CV 1
ASSI ! 443!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 50 and name HA ))
3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.44049E-03 ppm1 8.553 ppm2 3.892 CV 1
ASSI ! 444!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 53 and name HG1 ))
4.300 2.400 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.25759E-03 ppm1 8.554 ppm2 3.618 CV 1
ASSI ! 445!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HN ))
5.700 4.100 0.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.20297E-03 ppm1 8.559 ppm2 8.424 CV 1
ASSI ! 447!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB1 ))
5.500 3.800 0.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.25111E-03 ppm1 8.555 ppm2 2.886 CV 1
ASSI ! 448!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
5.500 3.700 0.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.35458E-03 ppm1 8.557 ppm2 2.653 CV 1
ASSI ! 450!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 8.559 ppm2 4.145 CV 1
ASSI ! 451!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB1 ))
3.000 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 8.559 ppm2 3.786 CV 1
ASSI ! 452!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB2 ))
3.900 1.900 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.72274E-03 ppm1 8.557 ppm2 3.723 CV 1
ASSI ! 454!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HA ))
5.000 3.100 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.30107E-03 ppm1 8.559 ppm2 4.282 CV 1
ASSI ! 455!
(( segid " " and resid 56 and name HN ))
( segid " " and resid 57 and name HB# )
4.300 2.300 1.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.70359E-03 ppm1 8.556 ppm2 1.492 CV 1
ASSI ! 456!
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HN ))
2.800 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.22430E-02 ppm1 8.557 ppm2 8.134 CV 1
ASSI ! 457!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HA ))
3.600 1.600 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 8.132 ppm2 4.991 CV 1
ASSI ! 458!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB1 ))
4.500 2.500 1.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.28955E-03 ppm1 8.121 ppm2 2.902 CV 1
ASSI ! 459!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB2 ))
4.700 2.800 1.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.37222E-03 ppm1 8.133 ppm2 2.662 CV 1
ASSI ! 461!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
3.100 1.200 1.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.91922E-03 ppm1 8.135 ppm2 4.144 CV 1
ASSI ! 462!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB1 ))
4.300 2.300 1.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.46640E-03 ppm1 8.133 ppm2 3.786 CV 1
ASSI ! 463!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB2 ))
4.200 2.200 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.49261E-03 ppm1 8.135 ppm2 3.723 CV 1
ASSI ! 465!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.700 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.46117E-02 ppm1 8.133 ppm2 4.281 CV 1
ASSI ! 468!
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
2.300 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.42034E-02 ppm1 8.133 ppm2 7.116 CV 1
ASSI ! 474!
(( segid " " and resid 58 and name HE21))
(( segid " " and resid 58 and name HE22))
1.900 0.400 0.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.93276E-02 ppm1 7.161 ppm2 6.743 CV 1
ASSI ! 480!
(( segid " " and resid 58 and name HE22))
(( segid " " and resid 58 and name HG1 ))
4.500 2.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.87121E-03 ppm1 6.743 ppm2 2.299 CV 1
ASSI ! 482!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HA ))
4.500 2.600 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.60732E-03 ppm1 7.114 ppm2 4.987 CV 1
ASSI ! 483!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HB1 ))
4.400 2.400 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.40366E-03 ppm1 7.120 ppm2 2.889 CV 1
ASSI ! 484!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HB2 ))
5.500 3.800 0.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.29083E-03 ppm1 7.110 ppm2 2.657 CV 1
ASSI ! 485!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HD22))
3.500 1.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.72373E-03 ppm1 7.109 ppm2 6.837 CV 1
ASSI ! 486!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 56 and name HA ))
3.800 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.36793E-03 ppm1 7.110 ppm2 4.149 CV 1
ASSI ! 487!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.46648E-02 ppm1 7.111 ppm2 4.272 CV 1
ASSI ! 496!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HB1 ))
6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.42304E-03 ppm1 7.114 ppm2 3.000 CV 1
ASSI ! 498!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 100 and name HB1 ))
5.200 3.400 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.32931E-03 ppm1 7.118 ppm2 1.865 CV 1
ASSI ! 499!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 100 and name HG1 ))
5.500 3.800 0.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.29195E-03 ppm1 7.106 ppm2 1.343 CV 1
ASSI ! 501!
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 100 and name HG2 ))
5.800 4.200 0.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.28441E-03 ppm1 7.116 ppm2 0.491 CV 1
ASSI ! 502!
(( segid " " and resid 59 and name HN ))
( segid " " and resid 49 and name HD1#)
3.900 1.900 1.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 7.367 ppm2 0.598 CV 1
ASSI ! 503!
(( segid " " and resid 59 and name HN ))
( segid " " and resid 49 and name HD2#)
5.400 3.700 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.27006E-03 ppm1 7.366 ppm2 -1.152 CV 1
ASSI ! 504!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 56 and name HA ))
4.100 2.100 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.71630E-03 ppm1 7.367 ppm2 4.148 CV 1
ASSI ! 505!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HA ))
2.900 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.29660E-02 ppm1 7.368 ppm2 4.270 CV 1
ASSI ! 507!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HN ))
4.500 2.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.73112E-03 ppm1 7.367 ppm2 8.135 CV 1
ASSI ! 508!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB1 ))
4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.76128E-03 ppm1 7.365 ppm2 2.088 CV 1
ASSI ! 509!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB2 ))
4.300 2.300 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.63319E-03 ppm1 7.364 ppm2 1.649 CV 1
ASSI ! 510!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG1 ))
3.300 1.400 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 7.367 ppm2 2.297 CV 1
ASSI ! 511!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG2 ))
3.200 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 7.366 ppm2 0.933 CV 1
ASSI ! 512!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
2.000 0.500 0.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.63606E-02 ppm1 7.368 ppm2 7.116 CV 1
ASSI ! 513!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
2.600 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.17752E-02 ppm1 7.367 ppm2 4.620 CV 1
ASSI ! 514!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB1 ))
3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.42815E-02 ppm1 7.367 ppm2 2.998 CV 1
ASSI ! 515!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.22889E-02 ppm1 7.364 ppm2 2.803 CV 1
ASSI ! 518!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
4.600 2.600 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.67526E-03 ppm1 7.365 ppm2 9.226 CV 1
ASSI ! 519!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 100 and name HA ))
4.500 2.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.79853E-03 ppm1 7.368 ppm2 4.542 CV 1
ASSI ! 520!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 100 and name HG1 ))
4.700 2.700 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.26192E-03 ppm1 7.363 ppm2 1.352 CV 1
ASSI ! 521!
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 100 and name HG2 ))
5.300 3.500 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.26227E-03 ppm1 7.364 ppm2 0.482 CV 1
ASSI ! 523!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB1 ))
2.900 1.100 1.100 peak 523 spectrum 1 weight 0.10000E+01 volume 0.56608E-03 ppm1 9.222 ppm2 2.998 CV 1
ASSI ! 524!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
4.200 2.200 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.84376E-03 ppm1 9.229 ppm2 2.814 CV 1
ASSI ! 527!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.800 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19243E-02 ppm1 9.227 ppm2 4.492 CV 1
ASSI ! 529!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HG1 ))
4.800 2.900 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.52779E-03 ppm1 9.229 ppm2 2.465 CV 1
ASSI ! 530!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HG2 ))
4.500 2.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.61542E-03 ppm1 9.228 ppm2 2.275 CV 1
ASSI ! 532!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
2.200 0.600 0.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.43434E-02 ppm1 9.228 ppm2 7.998 CV 1
ASSI ! 533!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 62 and name HN ))
5.100 3.300 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.29389E-03 ppm1 9.229 ppm2 9.044 CV 1
ASSI ! 534!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.900 1.900 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.69989E-03 ppm1 9.230 ppm2 0.919 CV 1
ASSI ! 537!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 100 and name HB1 ))
5.000 3.200 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.41901E-03 ppm1 9.229 ppm2 1.875 CV 1
ASSI ! 538!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 100 and name HB2 ))
5.500 3.800 0.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.34167E-03 ppm1 9.231 ppm2 1.486 CV 1
ASSI ! 539!
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 100 and name HG1 ))
4.900 3.000 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.30345E-03 ppm1 9.227 ppm2 1.367 CV 1
ASSI ! 542!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HA ))
4.600 2.700 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.90485E-03 ppm1 7.993 ppm2 4.618 CV 1
ASSI ! 543!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HB1 ))
4.100 2.100 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.70218E-03 ppm1 7.994 ppm2 3.001 CV 1
ASSI ! 544!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HB2 ))
5.400 3.700 0.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.59831E-03 ppm1 7.996 ppm2 2.818 CV 1
ASSI ! 545!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
3.600 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 7.993 ppm2 4.488 CV 1
ASSI ! 547!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG1 ))
5.100 3.200 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.39977E-03 ppm1 7.996 ppm2 2.475 CV 1
ASSI ! 550!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.14465E-02 ppm1 7.996 ppm2 5.077 CV 1
ASSI ! 551!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB1 ))
3.100 1.200 1.200 peak 551 spectrum 1 weight 0.10000E+01 volume 0.93592E-03 ppm1 7.993 ppm2 1.263 CV 1
ASSI ! 552!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB2 ))
3.700 1.700 1.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.97778E-03 ppm1 7.994 ppm2 1.099 CV 1
ASSI ! 553!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HD1 ))
4.900 3.000 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.39763E-03 ppm1 7.994 ppm2 0.981 CV 1
ASSI ! 554!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HD2 ))
4.400 2.400 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.61849E-03 ppm1 7.994 ppm2 0.881 CV 1
ASSI ! 555!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HE2 ))
4.500 2.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.70733E-03 ppm1 7.994 ppm2 2.092 CV 1
ASSI ! 556!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG1 ))
2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.15427E-02 ppm1 7.993 ppm2 1.133 CV 1
ASSI ! 557!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG2 ))
3.700 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.95768E-03 ppm1 7.997 ppm2 0.741 CV 1
ASSI ! 559!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HN ))
3.800 1.900 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.71501E-03 ppm1 7.998 ppm2 9.047 CV 1
ASSI ! 560!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 75 and name HA ))
4.300 2.300 1.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.93849E-03 ppm1 7.993 ppm2 4.521 CV 1
ASSI ! 561!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 76 and name HB1 ))
5.400 3.600 0.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.32902E-03 ppm1 8.001 ppm2 1.698 CV 1
ASSI ! 562!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 76 and name HB2 ))
4.200 2.200 1.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.25468E-03 ppm1 7.995 ppm2 1.549 CV 1
ASSI ! 563!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.200 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.20321E-02 ppm1 7.994 ppm2 0.924 CV 1
ASSI ! 564!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 76 and name HG ))
4.400 2.400 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.35445E-03 ppm1 7.995 ppm2 1.502 CV 1
ASSI ! 565!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 76 and name HN ))
4.600 2.600 1.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.33269E-03 ppm1 7.996 ppm2 8.531 CV 1
ASSI ! 566!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 98 and name HA ))
4.500 2.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.45560E-03 ppm1 7.997 ppm2 5.187 CV 1
ASSI ! 567!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 99 and name HB1 ))
4.500 2.500 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.47504E-03 ppm1 7.995 ppm2 3.221 CV 1
ASSI ! 568!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 99 and name HB2 ))
3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 7.993 ppm2 2.975 CV 1
ASSI ! 569!
(( segid " " and resid 61 and name HN ))
( segid " " and resid 99 and name HD# )
4.700 2.800 1.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.35562E-03 ppm1 7.993 ppm2 7.030 CV 1
ASSI ! 570!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 99 and name HN ))
3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 7.998 ppm2 8.976 CV 1
ASSI ! 571!
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 101 and name HA ))
6.000 5.400 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.20828E-03 ppm1 7.996 ppm2 4.189 CV 1
ASSI ! 572!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.40648E-02 ppm1 9.054 ppm2 5.078 CV 1
ASSI ! 573!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB1 ))
3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 9.051 ppm2 1.266 CV 1
ASSI ! 575!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HD1 ))
3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.79675E-03 ppm1 9.051 ppm2 0.983 CV 1
ASSI ! 576!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HD2 ))
3.300 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.96154E-03 ppm1 9.051 ppm2 0.883 CV 1
ASSI ! 577!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HG1 ))
3.100 1.200 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 9.051 ppm2 1.138 CV 1
ASSI ! 578!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HG2 ))
4.100 2.100 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 9.052 ppm2 0.756 CV 1
ASSI ! 581!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB1 ))
3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 9.051 ppm2 1.249 CV 1
ASSI ! 582!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
4.000 2.000 2.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.81485E-03 ppm1 9.052 ppm2 0.858 CV 1
ASSI ! 587!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
3.900 1.900 1.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.78939E-03 ppm1 9.056 ppm2 9.184 CV 1
ASSI ! 588!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 73 and name HA ))
4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.96109E-03 ppm1 9.054 ppm2 4.878 CV 1
ASSI ! 591!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 75 and name HA ))
3.700 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.85879E-03 ppm1 9.050 ppm2 4.532 CV 1
ASSI ! 592!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 76 and name HB2 ))
4.800 2.800 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.55000E-03 ppm1 9.053 ppm2 1.550 CV 1
ASSI ! 593!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.500 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.22740E-02 ppm1 9.051 ppm2 0.921 CV 1
ASSI ! 594!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 76 and name HG ))
3.300 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.88654E-03 ppm1 9.052 ppm2 1.502 CV 1
ASSI ! 595!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 76 and name HN ))
4.300 2.300 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.60433E-03 ppm1 9.060 ppm2 8.527 CV 1
ASSI ! 596!
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 99 and name HN ))
4.200 2.200 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.51142E-03 ppm1 9.051 ppm2 8.969 CV 1
ASSI ! 600!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB1 ))
4.600 2.600 1.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.61774E-03 ppm1 9.184 ppm2 1.239 CV 1
ASSI ! 601!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17603E-02 ppm1 9.185 ppm2 0.868 CV 1
ASSI ! 602!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HG1 ))
4.600 2.600 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.23745E-03 ppm1 9.183 ppm2 2.440 CV 1
ASSI ! 603!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HG2 ))
5.500 3.800 0.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.21857E-03 ppm1 9.187 ppm2 2.117 CV 1
ASSI ! 605!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
3.200 1.300 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.77777E-03 ppm1 9.187 ppm2 4.699 CV 1
ASSI ! 608!
(( segid " " and resid 63 and name HN ))
( segid " " and resid 63 and name HG2#)
4.400 2.400 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.91349E-03 ppm1 9.179 ppm2 0.247 CV 1
ASSI ! 610!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
4.000 2.000 2.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.84201E-03 ppm1 9.184 ppm2 9.248 CV 1
ASSI ! 611!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 96 and name HA ))
4.300 2.300 1.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.57538E-03 ppm1 9.189 ppm2 5.145 CV 1
ASSI ! 613!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 97 and name HB1 ))
5.300 3.500 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.28968E-03 ppm1 9.184 ppm2 2.736 CV 1
ASSI ! 614!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 97 and name HB2 ))
4.000 2.000 2.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.53663E-03 ppm1 9.186 ppm2 2.589 CV 1
ASSI ! 615!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 97 and name HN ))
3.100 1.200 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 9.186 ppm2 8.972 CV 1
ASSI ! 616!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 98 and name HA ))
4.000 2.000 2.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.67061E-03 ppm1 9.188 ppm2 5.185 CV 1
ASSI ! 618!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB ))
5.000 3.100 1.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.44036E-03 ppm1 9.246 ppm2 1.778 CV 1
ASSI ! 621!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
3.000 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 9.245 ppm2 4.302 CV 1
ASSI ! 623!
(( segid " " and resid 64 and name HN ))
( segid " " and resid 64 and name HD1#)
3.700 1.700 1.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 9.245 ppm2 0.635 CV 1
ASSI ! 624!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG11))
2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 9.244 ppm2 1.444 CV 1
ASSI ! 625!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG12))
4.300 2.300 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.81427E-03 ppm1 9.246 ppm2 1.112 CV 1
ASSI ! 626!
(( segid " " and resid 64 and name HN ))
( segid " " and resid 64 and name HG2#)
3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15567E-02 ppm1 9.246 ppm2 0.681 CV 1
ASSI ! 628!
(( segid " " and resid 64 and name HN ))
( segid " " and resid 65 and name HD2#)
3.800 1.800 1.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.79974E-03 ppm1 9.246 ppm2 0.944 CV 1
ASSI ! 629!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 9.249 ppm2 9.121 CV 1
ASSI ! 630!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 72 and name HB1 ))
4.300 2.300 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.68083E-03 ppm1 9.249 ppm2 2.879 CV 1
ASSI ! 631!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 72 and name HB2 ))
4.200 2.200 1.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.47255E-03 ppm1 9.244 ppm2 2.696 CV 1
ASSI ! 632!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 72 and name HN ))
2.900 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.19243E-02 ppm1 9.247 ppm2 9.090 CV 1
ASSI ! 633!
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 73 and name HA ))
2.900 1.100 1.100 peak 633 spectrum 1 weight 0.10000E+01 volume 0.16390E-02 ppm1 9.246 ppm2 4.875 CV 1
ASSI ! 634!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HG ))
2.800 1.000 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 9.119 ppm2 1.875 CV 1
ASSI ! 635!
(( segid " " and resid 65 and name HN ))
( segid " " and resid 63 and name HG2#)
4.400 2.500 1.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.37829E-03 ppm1 9.112 ppm2 0.245 CV 1
ASSI ! 636!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
2.200 0.600 0.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.55457E-02 ppm1 9.119 ppm2 4.304 CV 1
ASSI ! 637!
(( segid " " and resid 65 and name HN ))
( segid " " and resid 64 and name HD1#)
5.000 3.100 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.88064E-03 ppm1 9.117 ppm2 0.627 CV 1
ASSI ! 638!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG11))
5.400 3.700 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.33570E-03 ppm1 9.115 ppm2 1.435 CV 1
ASSI ! 639!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG12))
4.800 2.900 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.49552E-03 ppm1 9.117 ppm2 1.113 CV 1
ASSI ! 644!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB2 ))
2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 9.118 ppm2 1.682 CV 1
ASSI ! 645!
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD1#)
4.000 2.000 2.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 9.120 ppm2 1.135 CV 1
ASSI ! 648!
(( segid " " and resid 65 and name HN ))
( segid " " and resid 66 and name HG2#)
3.900 1.900 1.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.61970E-03 ppm1 9.119 ppm2 1.050 CV 1
ASSI ! 649!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
4.400 2.400 1.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.49934E-03 ppm1 9.118 ppm2 8.634 CV 1
ASSI ! 650!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
4.100 2.100 1.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.41177E-03 ppm1 9.120 ppm2 2.440 CV 1
ASSI ! 651!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 95 and name HN ))
3.200 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.99581E-03 ppm1 9.123 ppm2 7.293 CV 1
ASSI ! 652!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 96 and name HA ))
3.000 1.100 1.100 peak 652 spectrum 1 weight 0.10000E+01 volume 0.16095E-02 ppm1 9.117 ppm2 5.144 CV 1
ASSI ! 653!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 96 and name HG1 ))
3.800 1.800 1.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.70342E-03 ppm1 9.119 ppm2 3.307 CV 1
ASSI ! 654!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 96 and name HN ))
4.700 2.700 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.24564E-03 ppm1 9.117 ppm2 8.725 CV 1
ASSI ! 655!
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 97 and name HN ))
4.600 2.600 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.56238E-03 ppm1 9.120 ppm2 8.974 CV 1
ASSI ! 656!
(( segid " " and resid 66 and name HN ))
( segid " " and resid 64 and name HG2#)
4.100 2.100 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.48895E-03 ppm1 8.637 ppm2 0.685 CV 1
ASSI ! 657!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
2.200 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.73304E-02 ppm1 8.637 ppm2 5.534 CV 1
ASSI ! 658!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB1 ))
4.000 2.000 2.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.64553E-03 ppm1 8.637 ppm2 2.165 CV 1
ASSI ! 659!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
4.000 2.000 2.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 8.635 ppm2 1.679 CV 1
ASSI ! 660!
(( segid " " and resid 66 and name HN ))
( segid " " and resid 65 and name HD1#)
5.400 3.700 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.64781E-03 ppm1 8.633 ppm2 1.137 CV 1
ASSI ! 661!
(( segid " " and resid 66 and name HN ))
( segid " " and resid 65 and name HD2#)
4.300 2.300 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 8.634 ppm2 0.951 CV 1
ASSI ! 662!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HG ))
5.400 3.700 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.43093E-03 ppm1 8.632 ppm2 1.868 CV 1
ASSI ! 664!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 8.634 ppm2 5.217 CV 1
ASSI ! 665!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB ))
4.100 2.100 1.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.46835E-03 ppm1 8.637 ppm2 4.161 CV 1
ASSI ! 666!
(( segid " " and resid 66 and name HN ))
( segid " " and resid 66 and name HG2#)
2.600 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.32646E-02 ppm1 8.638 ppm2 1.049 CV 1
ASSI ! 668!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
3.600 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 8.636 ppm2 8.574 CV 1
ASSI ! 669!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 70 and name HA1 ))
3.300 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.65475E-03 ppm1 8.637 ppm2 4.365 CV 1
ASSI ! 670!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 70 and name HA2 ))
4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.56952E-03 ppm1 8.641 ppm2 3.872 CV 1
ASSI ! 671!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 70 and name HN ))
3.100 1.200 1.200 peak 671 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 8.639 ppm2 7.004 CV 1
ASSI ! 672!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 71 and name HA ))
3.600 1.700 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.76061E-03 ppm1 8.634 ppm2 5.097 CV 1
ASSI ! 673!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 71 and name HN ))
4.600 2.700 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.26550E-03 ppm1 8.633 ppm2 7.676 CV 1
ASSI ! 674!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 94 and name HN ))
4.900 3.000 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.35218E-03 ppm1 8.637 ppm2 9.417 CV 1
ASSI ! 675!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 117 and name HD21))
3.200 1.200 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 8.633 ppm2 8.265 CV 1
ASSI ! 676!
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 117 and name HD22))
3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.16792E-02 ppm1 8.636 ppm2 6.852 CV 1
ASSI ! 677!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 95 and name HN ))
5.600 3.900 0.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.29368E-03 ppm1 8.586 ppm2 7.299 CV 1
ASSI ! 678!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
2.400 0.700 0.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.28646E-02 ppm1 8.581 ppm2 5.216 CV 1
ASSI ! 679!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB ))
2.300 0.600 0.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.36602E-02 ppm1 8.580 ppm2 4.158 CV 1
ASSI ! 683!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG1 ))
2.300 0.700 0.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 8.579 ppm2 2.659 CV 1
ASSI ! 684!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG2 ))
3.300 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 8.579 ppm2 2.569 CV 1
ASSI ! 686!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 70 and name HN ))
4.300 2.300 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.24995E-03 ppm1 8.580 ppm2 6.991 CV 1
ASSI ! 688!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 91 and name HN ))
4.300 2.300 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.50361E-03 ppm1 8.580 ppm2 7.225 CV 1
ASSI ! 689!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 92 and name HB1 ))
4.300 2.300 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.51815E-03 ppm1 8.581 ppm2 1.580 CV 1
ASSI ! 690!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 92 and name HB2 ))
4.800 2.900 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.56143E-03 ppm1 8.569 ppm2 1.470 CV 1
ASSI ! 692!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 93 and name HA ))
4.000 2.000 2.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.82906E-03 ppm1 8.579 ppm2 3.841 CV 1
ASSI ! 693!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 94 and name HB1 ))
4.400 2.400 1.600 peak 693 spectrum 1 weight 0.10000E+01 volume 0.44983E-03 ppm1 8.582 ppm2 2.899 CV 1
ASSI ! 694!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 94 and name HB2 ))
4.100 2.100 1.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.44439E-03 ppm1 8.571 ppm2 2.317 CV 1
ASSI ! 695!
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 94 and name HN ))
4.100 2.100 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.63838E-03 ppm1 8.580 ppm2 9.417 CV 1
ASSI ! 696!
(( segid " " and resid 67 and name HN ))
( segid " " and resid 116 and name HG2#)
4.900 3.000 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.47346E-03 ppm1 8.576 ppm2 0.874 CV 1
ASSI ! 700!
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 68 and name HD22))
1.700 0.400 0.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11369E-01 ppm1 7.844 ppm2 7.150 CV 1
ASSI ! 703!
(( segid " " and resid 68 and name HD21))
( segid " " and resid 120 and name HB# )
5.300 3.500 0.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22597E-03 ppm1 7.857 ppm2 1.270 CV 1
ASSI ! 705!
(( segid " " and resid 68 and name HD22))
(( segid " " and resid 68 and name HB1 ))
4.300 2.300 1.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.12079E-02 ppm1 7.156 ppm2 3.197 CV 1
ASSI ! 710!
(( segid " " and resid 68 and name HD22))
(( segid " " and resid 92 and name HN ))
5.900 4.400 0.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.19827E-03 ppm1 7.151 ppm2 8.769 CV 1
ASSI ! 711!
(( segid " " and resid 68 and name HD22))
( segid " " and resid 120 and name HB# )
4.200 2.200 1.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.60229E-03 ppm1 7.151 ppm2 1.262 CV 1
ASSI ! 713!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.400 0.700 0.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.31633E-02 ppm1 8.578 ppm2 4.464 CV 1
ASSI ! 714!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.18016E-02 ppm1 8.578 ppm2 2.017 CV 1
ASSI ! 718!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB1 ))
4.700 2.800 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.41748E-03 ppm1 8.574 ppm2 3.202 CV 1
ASSI ! 719!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.69881E-03 ppm1 8.581 ppm2 2.840 CV 1
ASSI ! 720!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HD22))
4.600 2.600 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.39256E-03 ppm1 8.578 ppm2 7.141 CV 1
ASSI ! 722!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HA ))
4.600 2.700 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.83591E-03 ppm1 8.574 ppm2 3.939 CV 1
ASSI ! 723!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
5.200 3.300 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.34709E-03 ppm1 8.577 ppm2 1.538 CV 1
ASSI ! 724!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HG1 ))
4.400 2.500 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.31143E-03 ppm1 8.577 ppm2 1.054 CV 1
ASSI ! 725!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HG2 ))
5.100 3.200 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.35269E-03 ppm1 8.576 ppm2 0.944 CV 1
ASSI ! 726!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.700 0.900 0.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 8.578 ppm2 7.891 CV 1
ASSI ! 727!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 70 and name HN ))
4.700 2.700 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.26425E-03 ppm1 8.575 ppm2 6.985 CV 1
ASSI ! 728!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 91 and name HA1 ))
5.400 3.600 0.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.25263E-03 ppm1 8.575 ppm2 4.181 CV 1
ASSI ! 729!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 91 and name HA2 ))
5.800 4.200 0.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.51441E-03 ppm1 8.575 ppm2 3.910 CV 1
ASSI ! 730!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 92 and name HN ))
5.800 4.200 0.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.32799E-03 ppm1 8.575 ppm2 8.777 CV 1
ASSI ! 732!
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 118 and name HA ))
4.400 2.400 1.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.38113E-03 ppm1 8.574 ppm2 4.121 CV 1
ASSI ! 734!
(( segid " " and resid 68 and name HN ))
( segid " " and resid 120 and name HB# )
4.400 2.400 1.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.58161E-03 ppm1 8.577 ppm2 1.254 CV 1
ASSI ! 736!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HA ))
3.500 1.500 1.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.57858E-03 ppm1 7.889 ppm2 4.469 CV 1
ASSI ! 740!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB1 ))
4.600 2.700 1.400 peak 740 spectrum 1 weight 0.10000E+01 volume 0.57767E-03 ppm1 7.890 ppm2 1.927 CV 1
ASSI ! 741!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.900 1.900 1.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.76659E-03 ppm1 7.890 ppm2 1.888 CV 1
ASSI ! 742!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
4.800 2.800 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.67630E-03 ppm1 7.902 ppm2 1.543 CV 1
ASSI ! 743!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
5.100 3.300 0.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.33028E-03 ppm1 7.885 ppm2 2.826 CV 1
ASSI ! 747!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HA1 ))
5.100 3.300 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.36383E-03 ppm1 7.885 ppm2 4.361 CV 1
ASSI ! 749!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 117 and name HA ))
3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.30435E-03 ppm1 7.881 ppm2 4.909 CV 1
ASSI ! 750!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 117 and name HD21))
4.500 2.600 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.28928E-03 ppm1 7.885 ppm2 8.270 CV 1
ASSI ! 751!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 117 and name HD22))
5.400 3.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.37096E-03 ppm1 7.886 ppm2 6.853 CV 1
ASSI ! 752!
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 118 and name HA ))
3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.53651E-03 ppm1 7.883 ppm2 4.123 CV 1
ASSI ! 754!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 65 and name HA ))
4.600 2.600 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.42022E-03 ppm1 7.000 ppm2 5.527 CV 1
ASSI ! 756!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HA ))
4.500 2.600 1.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.33225E-03 ppm1 6.999 ppm2 3.754 CV 1
ASSI ! 758!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 6.999 ppm2 3.930 CV 1
ASSI ! 759!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB1 ))
4.400 2.400 1.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.49078E-03 ppm1 6.997 ppm2 1.933 CV 1
ASSI ! 760!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.700 1.700 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.70259E-03 ppm1 7.000 ppm2 1.879 CV 1
ASSI ! 761!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
3.300 3.300 2.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.31186E-03 ppm1 6.999 ppm2 2.826 CV 1
ASSI ! 762!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HN ))
2.800 1.000 1.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.18839E-02 ppm1 6.998 ppm2 7.887 CV 1
ASSI ! 763!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA1 ))
2.400 0.700 0.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.31140E-02 ppm1 7.000 ppm2 4.359 CV 1
ASSI ! 766!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HN ))
4.500 2.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.89227E-03 ppm1 6.997 ppm2 7.676 CV 1
ASSI ! 767!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 90 and name HA ))
4.900 3.000 1.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.77934E-03 ppm1 6.999 ppm2 4.145 CV 1
ASSI ! 768!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 90 and name HB1 ))
4.200 2.200 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.58655E-03 ppm1 6.999 ppm2 1.668 CV 1
ASSI ! 769!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 90 and name HB2 ))
3.700 1.700 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.92641E-03 ppm1 6.997 ppm2 1.541 CV 1
ASSI ! 770!
(( segid " " and resid 70 and name HN ))
( segid " " and resid 90 and name HD1#)
4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.18683E-02 ppm1 6.999 ppm2 0.951 CV 1
ASSI ! 771!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 117 and name HD21))
3.700 1.800 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.65026E-03 ppm1 6.998 ppm2 8.268 CV 1
ASSI ! 772!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 117 and name HD22))
4.100 2.100 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.78503E-03 ppm1 6.998 ppm2 6.848 CV 1
ASSI ! 773!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 65 and name HA ))
4.900 2.900 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24917E-03 ppm1 7.681 ppm2 5.538 CV 1
ASSI ! 775!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA2 ))
2.200 0.600 0.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.44987E-02 ppm1 7.679 ppm2 3.874 CV 1
ASSI ! 777!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
3.100 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 7.683 ppm2 5.098 CV 1
ASSI ! 778!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB1 ))
2.800 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.19345E-02 ppm1 7.680 ppm2 2.968 CV 1
ASSI ! 779!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
3.200 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.14195E-02 ppm1 7.682 ppm2 2.578 CV 1
ASSI ! 780!
(( segid " " and resid 71 and name HN ))
( segid " " and resid 71 and name HD# )
4.900 3.000 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.50947E-03 ppm1 7.683 ppm2 6.936 CV 1
ASSI ! 783!
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
4.400 2.400 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.70006E-03 ppm1 7.677 ppm2 9.101 CV 1
ASSI ! 784!
(( segid " " and resid 71 and name HN ))
( segid " " and resid 90 and name HD1#)
3.600 1.600 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.21467E-02 ppm1 7.679 ppm2 0.951 CV 1
ASSI ! 785!
(( segid " " and resid 71 and name HN ))
( segid " " and resid 90 and name HD2#)
6.000 4.600 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.50067E-03 ppm1 7.680 ppm2 1.046 CV 1
ASSI ! 786!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 63 and name HG1#)
3.100 3.100 2.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.44069E-03 ppm1 9.103 ppm2 0.752 CV 1
ASSI ! 788!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 64 and name HA ))
3.400 3.400 2.600 peak 788 spectrum 1 weight 0.10000E+01 volume 0.25846E-03 ppm1 9.099 ppm2 4.299 CV 1
ASSI ! 790!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 64 and name HD1#)
4.600 2.600 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.46138E-03 ppm1 9.096 ppm2 0.633 CV 1
ASSI ! 791!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 64 and name HG2#)
3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.95610E-03 ppm1 9.094 ppm2 0.686 CV 1
ASSI ! 793!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 65 and name HA ))
3.600 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.73150E-03 ppm1 9.100 ppm2 5.531 CV 1
ASSI ! 794!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 65 and name HD2#)
3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12685E-02 ppm1 9.096 ppm2 0.956 CV 1
ASSI ! 796!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB1 ))
4.500 2.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.71082E-03 ppm1 9.099 ppm2 2.968 CV 1
ASSI ! 797!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB2 ))
4.700 2.700 1.300 peak 797 spectrum 1 weight 0.10000E+01 volume 0.78603E-03 ppm1 9.101 ppm2 2.582 CV 1
ASSI ! 798!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HD# )
3.600 1.700 1.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.10254E-02 ppm1 9.098 ppm2 6.934 CV 1
ASSI ! 799!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HE# )
4.600 2.700 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.32115E-03 ppm1 9.098 ppm2 6.612 CV 1
ASSI ! 801!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.800 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.21333E-02 ppm1 9.099 ppm2 4.876 CV 1
ASSI ! 802!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB1 ))
3.700 1.700 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.13738E-02 ppm1 9.097 ppm2 2.868 CV 1
ASSI ! 803!
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.000 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 9.100 ppm2 2.692 CV 1
ASSI ! 804!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD# )
3.600 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 9.101 ppm2 7.002 CV 1
ASSI ! 805!
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HE# )
5.200 3.300 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.21676E-03 ppm1 9.094 ppm2 6.811 CV 1
ASSI ! 808!
(( segid " " and resid 73 and name HN ))
( segid " " and resid 38 and name HD1#)
4.700 2.800 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.43397E-03 ppm1 9.018 ppm2 0.851 CV 1
ASSI ! 809!
(( segid " " and resid 73 and name HN ))
( segid " " and resid 63 and name HG2#)
4.600 2.700 1.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.35204E-03 ppm1 9.025 ppm2 0.245 CV 1
ASSI ! 810!
(( segid " " and resid 73 and name HN ))
( segid " " and resid 64 and name HD1#)
4.400 2.400 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.34746E-03 ppm1 9.018 ppm2 0.631 CV 1
ASSI ! 811!
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB1 ))
3.800 1.800 1.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.66376E-03 ppm1 9.017 ppm2 2.875 CV 1
ASSI ! 812!
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB2 ))
4.000 2.000 2.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.12499E-02 ppm1 9.023 ppm2 2.690 CV 1
ASSI ! 813!
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HD# )
5.000 3.100 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.37179E-03 ppm1 9.019 ppm2 6.992 CV 1
ASSI ! 814!
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB ))
2.800 1.000 1.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.36418E-02 ppm1 9.020 ppm2 4.033 CV 1
ASSI ! 817!
(( segid " " and resid 73 and name HN ))
( segid " " and resid 74 and name HG2#)
3.400 1.500 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.95610E-03 ppm1 9.020 ppm2 0.759 CV 1
ASSI ! 818!
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 74 and name HN ))
4.200 2.200 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.74898E-03 ppm1 9.025 ppm2 9.246 CV 1
ASSI ! 820!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 62 and name HB1 ))
4.800 2.900 1.200 peak 820 spectrum 1 weight 0.10000E+01 volume 0.37578E-03 ppm1 9.247 ppm2 1.259 CV 1
ASSI ! 821!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 62 and name HE# )
4.200 2.200 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.74458E-03 ppm1 9.240 ppm2 1.997 CV 1
ASSI ! 824!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 62 and name HN ))
2.900 1.000 1.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.18455E-02 ppm1 9.236 ppm2 9.044 CV 1
ASSI ! 825!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 63 and name HA ))
3.700 1.700 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.92171E-03 ppm1 9.239 ppm2 4.698 CV 1
ASSI ! 826!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 63 and name HG2#)
3.200 3.200 2.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.40009E-03 ppm1 9.235 ppm2 0.252 CV 1
ASSI ! 827!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 63 and name HN ))
2.600 2.600 3.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 9.236 ppm2 9.178 CV 1
ASSI ! 828!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 64 and name HD1#)
3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.56575E-03 ppm1 9.238 ppm2 0.624 CV 1
ASSI ! 829!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HA ))
2.100 0.500 0.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.93829E-02 ppm1 9.238 ppm2 4.877 CV 1
ASSI ! 830!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB ))
4.500 2.500 1.500 peak 830 spectrum 1 weight 0.10000E+01 volume 0.65051E-03 ppm1 9.239 ppm2 4.045 CV 1
ASSI ! 831!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 73 and name HG2#)
3.200 1.200 1.200 peak 831 spectrum 1 weight 0.10000E+01 volume 0.42371E-02 ppm1 9.237 ppm2 0.928 CV 1
ASSI ! 832!
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
2.900 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.14637E-02 ppm1 9.238 ppm2 4.429 CV 1
ASSI ! 834!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HG1#)
3.800 1.800 1.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 9.237 ppm2 0.971 CV 1
ASSI ! 835!
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HG2#)
2.600 0.900 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.44642E-02 ppm1 9.237 ppm2 0.755 CV 1
ASSI ! 838!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 61 and name HA ))
4.700 2.800 1.300 peak 838 spectrum 1 weight 0.10000E+01 volume 0.51587E-03 ppm1 9.379 ppm2 5.076 CV 1
ASSI ! 839!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
2.100 0.500 0.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.81278E-02 ppm1 9.379 ppm2 4.423 CV 1
ASSI ! 840!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB ))
4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.55179E-03 ppm1 9.376 ppm2 1.834 CV 1
ASSI ! 841!
(( segid " " and resid 75 and name HN ))
( segid " " and resid 74 and name HG1#)
2.700 0.900 0.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.38699E-02 ppm1 9.381 ppm2 0.977 CV 1
ASSI ! 842!
(( segid " " and resid 75 and name HN ))
( segid " " and resid 74 and name HG2#)
4.000 2.000 2.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.20014E-02 ppm1 9.380 ppm2 0.760 CV 1
ASSI ! 843!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HN ))
3.900 1.900 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.83819E-03 ppm1 9.384 ppm2 9.241 CV 1
ASSI ! 844!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
2.800 0.900 0.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.17045E-02 ppm1 9.381 ppm2 4.522 CV 1
ASSI ! 845!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB1 ))
3.500 1.500 1.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.26771E-02 ppm1 9.380 ppm2 3.352 CV 1
ASSI ! 847!
(( segid " " and resid 75 and name HN ))
( segid " " and resid 75 and name HD# )
3.600 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.45357E-03 ppm1 9.379 ppm2 7.289 CV 1
ASSI ! 849!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.700 1.700 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 9.382 ppm2 0.928 CV 1
ASSI ! 850!
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
4.200 2.200 1.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.59997E-03 ppm1 9.381 ppm2 8.530 CV 1
ASSI ! 851!
(( segid " " and resid 75 and name HN ))
( segid " " and resid 78 and name HG2#)
4.800 2.900 1.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.57090E-03 ppm1 9.384 ppm2 1.180 CV 1
ASSI ! 853!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 60 and name HG1 ))
4.900 3.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.32597E-03 ppm1 8.527 ppm2 2.460 CV 1
ASSI ! 855!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 61 and name HB2 ))
4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.58963E-03 ppm1 8.524 ppm2 1.105 CV 1
ASSI ! 856!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 61 and name HG1 ))
5.400 3.600 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.37784E-03 ppm1 8.519 ppm2 1.139 CV 1
ASSI ! 857!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 61 and name HG2 ))
6.000 5.300 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20082E-03 ppm1 8.520 ppm2 0.749 CV 1
ASSI ! 858!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 62 and name HB1 ))
4.600 2.600 1.400 peak 858 spectrum 1 weight 0.10000E+01 volume 0.61862E-03 ppm1 8.517 ppm2 1.261 CV 1
ASSI ! 861!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB2 ))
4.400 2.400 1.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.67257E-03 ppm1 8.528 ppm2 3.057 CV 1
ASSI ! 865!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.400 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.23031E-02 ppm1 8.523 ppm2 0.923 CV 1
ASSI ! 866!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HG ))
2.400 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.22577E-02 ppm1 8.523 ppm2 1.509 CV 1
ASSI ! 869!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 78 and name HN ))
4.700 2.700 1.300 peak 869 spectrum 1 weight 0.10000E+01 volume 0.35447E-03 ppm1 8.524 ppm2 7.426 CV 1
ASSI ! 873!
(( segid " " and resid 77 and name HD21))
(( segid " " and resid 77 and name HD22))
1.800 0.400 0.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.16787E-01 ppm1 7.748 ppm2 6.985 CV 1
ASSI ! 879!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 61 and name HA ))
4.500 2.500 1.500 peak 879 spectrum 1 weight 0.10000E+01 volume 0.52824E-03 ppm1 8.606 ppm2 5.081 CV 1
ASSI ! 881!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 75 and name HB2 ))
3.400 1.500 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 8.600 ppm2 3.056 CV 1
ASSI ! 882!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
2.900 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.19127E-02 ppm1 8.602 ppm2 4.535 CV 1
ASSI ! 883!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB1 ))
4.100 2.100 1.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.59320E-03 ppm1 8.604 ppm2 1.718 CV 1
ASSI ! 884!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.300 1.400 1.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.79554E-03 ppm1 8.597 ppm2 1.552 CV 1
ASSI ! 885!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
2.800 2.800 3.200 peak 885 spectrum 1 weight 0.10000E+01 volume 0.81813E-03 ppm1 8.601 ppm2 0.927 CV 1
ASSI ! 886!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HG ))
4.300 2.300 1.700 peak 886 spectrum 1 weight 0.10000E+01 volume 0.66783E-03 ppm1 8.600 ppm2 1.499 CV 1
ASSI ! 887!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
2.200 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.37533E-02 ppm1 8.599 ppm2 8.524 CV 1
ASSI ! 890!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HB2 ))
3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 8.601 ppm2 3.043 CV 1
ASSI ! 891!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HD21))
4.700 2.700 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.33637E-03 ppm1 8.605 ppm2 7.751 CV 1
ASSI ! 892!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HD22))
5.300 3.500 0.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.34922E-03 ppm1 8.598 ppm2 6.991 CV 1
ASSI ! 894!
(( segid " " and resid 77 and name HN ))
( segid " " and resid 78 and name HG2#)
4.100 2.100 1.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.83574E-03 ppm1 8.601 ppm2 1.180 CV 1
ASSI ! 895!
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HN ))
2.300 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.55935E-02 ppm1 8.601 ppm2 7.430 CV 1
ASSI ! 896!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 46 and name HH11) or ( segid " " and resid 46 and name HH12))
4.200 2.200 1.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.49701E-03 ppm1 7.429 ppm2 6.579 CV 1
ASSI ! 897!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 46 and name HH22) or ( segid " " and resid 46 and name HH21))
3.800 1.800 1.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.49581E-03 ppm1 7.427 ppm2 6.204 CV 1
ASSI ! 898!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 75 and name HB1 ))
3.700 1.700 1.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.55964E-03 ppm1 7.427 ppm2 3.339 CV 1
ASSI ! 900!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.000 3.000 3.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 7.429 ppm2 0.914 CV 1
ASSI ! 903!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB1 ))
3.900 1.900 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.67086E-03 ppm1 7.429 ppm2 3.185 CV 1
ASSI ! 904!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB2 ))
4.300 2.300 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.90531E-03 ppm1 7.427 ppm2 3.049 CV 1
ASSI ! 906!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
2.400 0.700 0.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.51167E-02 ppm1 7.427 ppm2 4.830 CV 1
ASSI ! 907!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB ))
3.700 1.700 1.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 7.428 ppm2 4.247 CV 1
ASSI ! 911!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HD2 ))
5.300 3.600 0.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.37760E-03 ppm1 7.427 ppm2 3.680 CV 1
ASSI ! 912!
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HG1 ))
5.600 3.900 0.400 peak 912 spectrum 1 weight 0.10000E+01 volume 0.21783E-03 ppm1 7.433 ppm2 1.995 CV 1
ASSI ! 913!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 46 and name HE ))
3.500 3.500 2.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.21337E-03 ppm1 9.050 ppm2 9.522 CV 1
ASSI ! 914!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 46 and name HH11) or ( segid " " and resid 46 and name HH12))
4.400 2.400 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.30395E-03 ppm1 9.051 ppm2 6.581 CV 1
ASSI ! 915!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 46 and name HH22) or ( segid " " and resid 46 and name HH21))
3.000 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.96358E-03 ppm1 9.050 ppm2 6.217 CV 1
ASSI ! 916!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.000 0.500 0.500 peak 916 spectrum 1 weight 0.10000E+01 volume 0.76223E-02 ppm1 9.051 ppm2 4.461 CV 1
ASSI ! 919!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HD1 ))
3.500 3.500 2.500 peak 919 spectrum 1 weight 0.10000E+01 volume 0.22984E-03 ppm1 9.044 ppm2 3.784 CV 1
ASSI ! 920!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HG1 ))
3.100 3.100 2.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.43189E-03 ppm1 9.054 ppm2 2.009 CV 1
ASSI ! 921!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HG2 ))
3.000 3.000 3.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 9.050 ppm2 1.903 CV 1
ASSI ! 922!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.22101E-02 ppm1 9.049 ppm2 4.082 CV 1
ASSI ! 925!
(( segid " " and resid 80 and name HN ))
( segid " " and resid 80 and name HD1#)
4.400 2.400 1.600 peak 925 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 9.048 ppm2 0.710 CV 1
ASSI ! 927!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HG ))
3.600 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.16622E-02 ppm1 9.048 ppm2 1.808 CV 1
ASSI ! 929!
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
4.300 2.300 1.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.87865E-03 ppm1 9.050 ppm2 8.411 CV 1
ASSI ! 930!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
2.100 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.99784E-02 ppm1 8.413 ppm2 4.087 CV 1
ASSI ! 931!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB1 ))
4.200 2.200 1.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 8.410 ppm2 1.540 CV 1
ASSI ! 932!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB2 ))
3.000 1.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 8.410 ppm2 1.405 CV 1
ASSI ! 933!
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HD1#)
4.200 2.200 1.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 8.412 ppm2 0.713 CV 1
ASSI ! 934!
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HD2#)
3.400 1.400 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.51258E-02 ppm1 8.412 ppm2 0.917 CV 1
ASSI ! 935!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HG ))
3.000 1.100 1.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 8.413 ppm2 1.814 CV 1
ASSI ! 937!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.35412E-02 ppm1 8.411 ppm2 4.185 CV 1
ASSI ! 941!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 83 and name HN ))
4.300 2.300 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.68976E-03 ppm1 8.411 ppm2 8.510 CV 1
ASSI ! 942!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HB1 ))
5.400 3.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.30422E-03 ppm1 8.410 ppm2 2.176 CV 1
ASSI ! 943!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HB2 ))
3.700 1.700 1.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.59046E-03 ppm1 8.410 ppm2 1.727 CV 1
ASSI ! 944!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HD1 ))
4.800 2.900 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.53451E-03 ppm1 8.416 ppm2 3.442 CV 1
ASSI ! 946!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HG1 ))
3.800 1.800 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.40777E-03 ppm1 8.413 ppm2 1.931 CV 1
ASSI ! 947!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HG2 ))
5.000 3.100 1.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.48725E-03 ppm1 8.413 ppm2 1.640 CV 1
ASSI ! 948!
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HN ))
4.100 2.100 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.37825E-03 ppm1 8.414 ppm2 7.798 CV 1
ASSI ! 949!
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 85 and name HG1 ) or ( segid " " and resid 85 and name HD1 ) or ( segid " " and resid 85 and name HD2 ))
4.700 2.700 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.47346E-03 ppm1 8.743 ppm2 1.658 CV 1
ASSI ! 952!
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HN ))
4.400 2.400 1.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 8.745 ppm2 8.420 CV 1
ASSI ! 959!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 81 and name HA ))
4.000 2.000 2.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 8.511 ppm2 4.180 CV 1
ASSI ! 960!
(( segid " " and resid 83 and name HN ))
( segid " " and resid 81 and name HB# )
2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.57210E-02 ppm1 8.511 ppm2 1.488 CV 1
ASSI ! 962!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 8.510 ppm2 3.807 CV 1
ASSI ! 963!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB1 ) or ( segid " " and resid 82 and name HB2 ))
2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.47570E-02 ppm1 8.513 ppm2 2.083 CV 1
ASSI ! 964!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HG2 ) or ( segid " " and resid 82 and name HG1 ))
3.700 1.700 1.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 8.512 ppm2 2.388 CV 1
ASSI ! 965!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HN ))
2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.43359E-02 ppm1 8.509 ppm2 8.733 CV 1
ASSI ! 966!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
2.600 0.800 0.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.51283E-02 ppm1 8.510 ppm2 4.430 CV 1
ASSI ! 967!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB1 ))
3.000 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 8.513 ppm2 2.833 CV 1
ASSI ! 968!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB2 ))
2.500 0.800 0.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.43488E-02 ppm1 8.513 ppm2 2.685 CV 1
ASSI ! 970!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HB1 ))
6.000 4.400 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.28587E-03 ppm1 8.510 ppm2 2.184 CV 1
ASSI ! 971!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HB2 ))
4.600 2.600 1.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.48717E-03 ppm1 8.512 ppm2 1.731 CV 1
ASSI ! 972!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HG1 ))
4.300 2.300 1.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.64989E-03 ppm1 8.511 ppm2 1.938 CV 1
ASSI ! 973!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HG2 ))
5.600 3.900 0.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.46956E-03 ppm1 8.514 ppm2 1.655 CV 1
ASSI ! 974!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 84 and name HN ))
2.200 0.600 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.59918E-02 ppm1 8.512 ppm2 7.794 CV 1
ASSI ! 975!
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 85 and name HN ))
3.500 1.600 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.94402E-03 ppm1 8.509 ppm2 7.335 CV 1
ASSI ! 976!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 38 and name HD1#)
5.200 3.400 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.51483E-03 ppm1 7.800 ppm2 0.840 CV 1
ASSI ! 977!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 80 and name HD1#)
4.400 2.500 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.75999E-03 ppm1 7.802 ppm2 0.709 CV 1
ASSI ! 978!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 80 and name HD2#)
4.800 2.900 1.200 peak 978 spectrum 1 weight 0.10000E+01 volume 0.69370E-03 ppm1 7.802 ppm2 0.918 CV 1
ASSI ! 979!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 80 and name HG ))
3.400 1.500 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.15066E-02 ppm1 7.801 ppm2 1.823 CV 1
ASSI ! 980!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 81 and name HA ))
3.300 3.300 2.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.32117E-03 ppm1 7.806 ppm2 4.195 CV 1
ASSI ! 981!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 81 and name HB# )
2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.35167E-02 ppm1 7.801 ppm2 1.495 CV 1
ASSI ! 983!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HA ))
3.500 1.600 1.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.10270E-02 ppm1 7.803 ppm2 3.815 CV 1
ASSI ! 984!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HN ))
4.500 2.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.64885E-03 ppm1 7.799 ppm2 8.739 CV 1
ASSI ! 986!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB1 ))
3.600 1.600 1.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.65001E-03 ppm1 7.798 ppm2 2.837 CV 1
ASSI ! 987!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB2 ))
3.700 1.700 1.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.64511E-03 ppm1 7.800 ppm2 2.681 CV 1
ASSI ! 989!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA ))
2.600 0.800 0.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.27167E-02 ppm1 7.804 ppm2 4.532 CV 1
ASSI ! 990!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB1 ))
3.500 1.500 1.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.19674E-02 ppm1 7.802 ppm2 2.188 CV 1
ASSI ! 991!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB2 ))
2.300 0.700 0.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 7.802 ppm2 1.731 CV 1
ASSI ! 992!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HD1 ))
4.900 3.000 1.100 peak 992 spectrum 1 weight 0.10000E+01 volume 0.69067E-03 ppm1 7.802 ppm2 3.442 CV 1
ASSI ! 993!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HD2 ))
4.400 2.400 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.53630E-03 ppm1 7.804 ppm2 3.183 CV 1
ASSI ! 995!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HG2 ))
3.400 1.400 1.400 peak 995 spectrum 1 weight 0.10000E+01 volume 0.30255E-02 ppm1 7.802 ppm2 1.644 CV 1
ASSI ! 997!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 85 and name HA ))
4.300 2.300 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.66575E-03 ppm1 7.798 ppm2 3.551 CV 1
ASSI ! 998!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 85 and name HG2 ))
5.100 3.200 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.50478E-03 ppm1 7.807 ppm2 1.325 CV 1
ASSI ! 999!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 85 and name HN ))
2.000 0.500 0.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.92163E-02 ppm1 7.802 ppm2 7.333 CV 1
ASSI ! 1000!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 86 and name HN ))
4.500 2.600 1.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.39905E-03 ppm1 7.800 ppm2 8.339 CV 1
ASSI ! 1001!
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 87 and name HB ))
4.400 2.400 1.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.69831E-03 ppm1 7.802 ppm2 2.068 CV 1
ASSI ! 1002!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 87 and name HG1#)
4.400 2.400 1.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 7.800 ppm2 1.151 CV 1
ASSI ! 1003!
(( segid " " and resid 84 and name HN ))
( segid " " and resid 87 and name HG2#)
5.500 3.700 0.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.32494E-03 ppm1 7.796 ppm2 0.997 CV 1
ASSI ! 1005!
(( segid " " and resid 85 and name HN ))
( segid " " and resid 38 and name HD1#)
5.100 3.300 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.43434E-03 ppm1 7.338 ppm2 0.836 CV 1
ASSI ! 1006!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 39 and name HA1 ))
5.400 3.700 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.29065E-03 ppm1 7.340 ppm2 3.958 CV 1
ASSI ! 1007!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 39 and name HA2 ))
5.100 3.200 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.40684E-03 ppm1 7.337 ppm2 3.758 CV 1
ASSI ! 1008!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 39 and name HN ))
4.400 2.400 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.52467E-03 ppm1 7.340 ppm2 8.752 CV 1
ASSI ! 1009!
(( segid " " and resid 85 and name HN ))
( segid " " and resid 80 and name HD1#)
3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 7.339 ppm2 0.704 CV 1
ASSI ! 1010!
(( segid " " and resid 85 and name HN ))
( segid " " and resid 80 and name HD2#)
4.500 2.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.71331E-03 ppm1 7.340 ppm2 0.912 CV 1
ASSI ! 1012!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HA ))
3.200 1.300 1.300 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.16013E-02 ppm1 7.336 ppm2 3.808 CV 1
ASSI ! 1013!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 83 and name HA ))
3.600 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.75239E-03 ppm1 7.337 ppm2 4.429 CV 1
ASSI ! 1016!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB1 ))
3.700 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.93853E-03 ppm1 7.337 ppm2 2.179 CV 1
ASSI ! 1017!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB2 ))
2.800 1.000 1.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.18541E-02 ppm1 7.336 ppm2 1.725 CV 1
ASSI ! 1018!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HG1 ))
3.900 1.900 1.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 7.335 ppm2 1.932 CV 1
ASSI ! 1020!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
2.500 0.800 0.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.33970E-02 ppm1 7.336 ppm2 3.550 CV 1
ASSI ! 1021!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
3.300 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.46516E-02 ppm1 7.335 ppm2 1.854 CV 1
ASSI ! 1022!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HD2 ) or ( segid " " and resid 85 and name HD1 ))
3.400 1.500 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.42798E-02 ppm1 7.336 ppm2 1.667 CV 1
ASSI ! 1023!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HG1 ))
2.200 0.600 0.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.53505E-02 ppm1 7.336 ppm2 1.646 CV 1
ASSI ! 1026!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HB1 ))
5.200 3.400 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.26810E-03 ppm1 7.334 ppm2 2.984 CV 1
ASSI ! 1027!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HB2 ))
4.900 3.000 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.41366E-03 ppm1 7.337 ppm2 2.696 CV 1
ASSI ! 1028!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HN ))
2.700 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.20413E-02 ppm1 7.337 ppm2 8.338 CV 1
ASSI ! 1029!
(( segid " " and resid 85 and name HN ))
( segid " " and resid 87 and name HG1#)
4.600 2.600 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.44929E-03 ppm1 7.339 ppm2 1.141 CV 1
ASSI ! 1030!
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 87 and name HN ))
4.300 2.300 1.700 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.54539E-03 ppm1 7.337 ppm2 6.983 CV 1
ASSI ! 1035!
(( segid " " and resid 86 and name HD22))
(( segid " " and resid 86 and name HB1 ))
4.400 2.400 1.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.76614E-03 ppm1 6.909 ppm2 2.998 CV 1
ASSI ! 1037!
(( segid " " and resid 86 and name HD22))
(( segid " " and resid 86 and name HD21))
1.700 0.300 0.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.25132E-01 ppm1 6.913 ppm2 7.586 CV 1
ASSI ! 1038!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 39 and name HA2 ))
3.400 3.400 2.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.25221E-03 ppm1 8.354 ppm2 3.760 CV 1
ASSI ! 1039!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 39 and name HN ))
4.400 2.500 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.37635E-03 ppm1 8.350 ppm2 8.756 CV 1
ASSI ! 1040!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 84 and name HA ))
4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.48978E-03 ppm1 8.345 ppm2 4.528 CV 1
ASSI ! 1042!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
3.500 1.500 1.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.65213E-03 ppm1 8.348 ppm2 3.547 CV 1
ASSI ! 1043!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.11925E-02 ppm1 8.348 ppm2 1.854 CV 1
ASSI ! 1044!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HG1 ))
4.200 2.200 1.800 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.77070E-03 ppm1 8.346 ppm2 1.648 CV 1
ASSI ! 1045!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HG2 ))
3.300 3.300 2.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.30622E-03 ppm1 8.346 ppm2 1.317 CV 1
ASSI ! 1050!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HD21))
3.700 1.700 1.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.57347E-03 ppm1 8.351 ppm2 7.586 CV 1
ASSI ! 1051!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HD22))
4.500 2.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.43297E-03 ppm1 8.348 ppm2 6.905 CV 1
ASSI ! 1053!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HB ))
4.400 2.400 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.53310E-03 ppm1 8.346 ppm2 2.067 CV 1
ASSI ! 1054!
(( segid " " and resid 86 and name HN ))
( segid " " and resid 87 and name HG1#)
4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.12780E-02 ppm1 8.348 ppm2 1.145 CV 1
ASSI ! 1055!
(( segid " " and resid 86 and name HN ))
( segid " " and resid 87 and name HG2#)
6.000 4.900 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.20954E-03 ppm1 8.343 ppm2 1.004 CV 1
ASSI ! 1056!
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HN ))
2.400 0.700 0.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.37299E-02 ppm1 8.349 ppm2 6.979 CV 1
ASSI ! 1057!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 37 and name HA ))
4.500 2.500 1.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.42105E-03 ppm1 6.989 ppm2 5.245 CV 1
ASSI ! 1058!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 38 and name HB1 ))
4.900 3.000 1.100 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 6.983 ppm2 2.153 CV 1
ASSI ! 1059!
(( segid " " and resid 87 and name HN ))
( segid " " and resid 38 and name HD1#)
5.300 3.500 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.90830E-03 ppm1 6.985 ppm2 0.846 CV 1
ASSI ! 1062!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 84 and name HA ))
3.400 1.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.97625E-03 ppm1 6.986 ppm2 4.521 CV 1
ASSI ! 1063!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HA ))
3.600 1.600 1.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.58090E-03 ppm1 6.985 ppm2 3.550 CV 1
ASSI ! 1065!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
2.800 1.000 1.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.26245E-02 ppm1 6.981 ppm2 4.889 CV 1
ASSI ! 1066!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB1 ))
4.300 2.300 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.60798E-03 ppm1 6.989 ppm2 3.007 CV 1
ASSI ! 1067!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB2 ))
4.100 2.100 1.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.76319E-03 ppm1 6.987 ppm2 2.712 CV 1
ASSI ! 1069!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
2.600 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.33628E-02 ppm1 6.988 ppm2 3.750 CV 1
ASSI ! 1070!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB ))
2.100 0.500 0.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.81307E-02 ppm1 6.987 ppm2 2.067 CV 1
ASSI ! 1072!
(( segid " " and resid 87 and name HN ))
( segid " " and resid 87 and name HG2#)
3.500 1.500 1.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.36511E-02 ppm1 6.987 ppm2 0.996 CV 1
ASSI ! 1074!
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 88 and name HN ))
4.000 2.000 2.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.14055E-02 ppm1 6.983 ppm2 8.772 CV 1
ASSI ! 1077!
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 38 and name HN ))
4.900 3.000 1.100 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.35640E-03 ppm1 8.779 ppm2 9.068 CV 1
ASSI ! 1078!
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HA ))
2.000 0.500 0.500 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.14759E-01 ppm1 8.780 ppm2 3.750 CV 1
ASSI ! 1080!
(( segid " " and resid 88 and name HN ))
( segid " " and resid 87 and name HG1#)
3.000 1.100 1.100 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.34672E-02 ppm1 8.780 ppm2 1.152 CV 1
ASSI ! 1081!
(( segid " " and resid 88 and name HN ))
( segid " " and resid 87 and name HG2#)
2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.49460E-02 ppm1 8.781 ppm2 0.994 CV 1
ASSI ! 1083!
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HA ))
2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 8.780 ppm2 4.339 CV 1
ASSI ! 1084!
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HB1 ) or ( segid " " and resid 88 and name HB2 ))
2.200 0.600 0.600 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.86681E-02 ppm1 8.778 ppm2 1.973 CV 1
ASSI ! 1089!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 36 and name HA ))
4.100 2.100 1.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.63942E-03 ppm1 8.232 ppm2 4.437 CV 1
ASSI ! 1093!
(( segid " " and resid 89 and name HN ))
( segid " " and resid 87 and name HG2#)
3.100 3.100 2.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.43114E-03 ppm1 8.234 ppm2 0.998 CV 1
ASSI ! 1094!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
2.300 0.600 0.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.66928E-02 ppm1 8.232 ppm2 4.331 CV 1
ASSI ! 1098!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HN ))
4.800 2.800 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.39334E-03 ppm1 8.228 ppm2 8.773 CV 1
ASSI ! 1099!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.36006E-02 ppm1 8.232 ppm2 4.295 CV 1
ASSI ! 1104!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HG ))
2.500 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.40147E-02 ppm1 8.229 ppm2 1.311 CV 1
ASSI ! 1107!
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 91 and name HN ))
5.100 3.300 0.900 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.33446E-03 ppm1 8.231 ppm2 7.218 CV 1
ASSI ! 1108!
(( segid " " and resid 90 and name HN ))
( segid " " and resid 89 and name HD1#)
5.200 3.400 0.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.41406E-03 ppm1 7.774 ppm2 0.650 CV 1
ASSI ! 1111!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HB2 ))
3.300 1.400 1.400 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.29485E-02 ppm1 7.777 ppm2 1.546 CV 1
ASSI ! 1113!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HG ))
4.900 3.000 1.100 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.43259E-03 ppm1 7.775 ppm2 1.317 CV 1
ASSI ! 1114!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HN ))
4.400 2.400 1.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.42113E-03 ppm1 7.786 ppm2 8.234 CV 1
ASSI ! 1117!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB2 ))
2.200 0.600 0.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.29485E-02 ppm1 7.777 ppm2 1.532 CV 1
ASSI ! 1122!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 91 and name HA2 ))
5.000 3.100 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.27366E-03 ppm1 7.778 ppm2 3.894 CV 1
ASSI ! 1123!
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 91 and name HN ))
2.600 0.900 0.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.18982E-02 ppm1 7.779 ppm2 7.224 CV 1
ASSI ! 1126!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 68 and name HD21))
4.600 2.700 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.37804E-03 ppm1 7.228 ppm2 7.841 CV 1
ASSI ! 1127!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 68 and name HD22))
4.900 3.000 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.80468E-03 ppm1 7.225 ppm2 7.153 CV 1
ASSI ! 1128!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 89 and name HA ))
4.200 2.200 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.56674E-03 ppm1 7.227 ppm2 4.297 CV 1
ASSI ! 1131!
(( segid " " and resid 91 and name HN ))
( segid " " and resid 89 and name HD1#)
4.700 2.800 1.300 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.51807E-03 ppm1 7.223 ppm2 0.636 CV 1
ASSI ! 1135!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB1 ))
4.000 2.000 2.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.60587E-03 ppm1 7.221 ppm2 1.669 CV 1
ASSI ! 1136!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB2 ))
2.800 1.000 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.20523E-02 ppm1 7.223 ppm2 1.535 CV 1
ASSI ! 1137!
(( segid " " and resid 91 and name HN ))
( segid " " and resid 90 and name HD1#)
3.200 3.200 2.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.41976E-03 ppm1 7.223 ppm2 0.958 CV 1
ASSI ! 1138!
(( segid " " and resid 91 and name HN ))
( segid " " and resid 90 and name HD2#)
2.500 2.500 3.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 7.225 ppm2 1.044 CV 1
ASSI ! 1139!
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HG ))
4.600 2.700 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.52043E-03 ppm1 7.224 ppm2 1.861 CV 1
ASSI ! 1147!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 66 and name HA ))
5.100 3.200 0.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.33691E-03 ppm1 8.774 ppm2 5.209 CV 1
ASSI ! 1148!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
2.700 0.900 0.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.24022E-02 ppm1 8.771 ppm2 2.020 CV 1
ASSI ! 1150!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 67 and name HG2 ))
5.000 3.100 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.39993E-03 ppm1 8.770 ppm2 2.568 CV 1
ASSI ! 1151!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 67 and name HN ))
3.400 1.400 1.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11573E-02 ppm1 8.771 ppm2 8.571 CV 1
ASSI ! 1152!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 68 and name HD21))
4.700 2.800 1.300 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.42869E-03 ppm1 8.773 ppm2 7.847 CV 1
ASSI ! 1153!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA2 ))
2.600 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.26730E-02 ppm1 8.771 ppm2 3.901 CV 1
ASSI ! 1154!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HN ))
4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.80738E-03 ppm1 8.771 ppm2 7.218 CV 1
ASSI ! 1155!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB1 ))
2.500 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.68635E-02 ppm1 8.775 ppm2 1.580 CV 1
ASSI ! 1156!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB2 ))
2.100 0.600 0.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 8.773 ppm2 1.469 CV 1
ASSI ! 1157!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
2.900 1.100 1.100 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.68635E-02 ppm1 8.771 ppm2 1.568 CV 1
ASSI ! 1158!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HE2 ) or ( segid " " and resid 92 and name HE1 ))
5.100 3.200 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.43837E-03 ppm1 8.772 ppm2 2.989 CV 1
ASSI ! 1159!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HG1 ))
3.300 1.400 1.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.45918E-02 ppm1 8.770 ppm2 1.459 CV 1
ASSI ! 1161!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HN ))
4.700 2.700 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.48272E-03 ppm1 8.770 ppm2 9.186 CV 1
ASSI ! 1162!
(( segid " " and resid 92 and name HN ))
( segid " " and resid 120 and name HB# )
4.800 2.800 1.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.36939E-03 ppm1 8.776 ppm2 1.262 CV 1
ASSI ! 1163!
(( segid " " and resid 93 and name HN ))
( segid " " and resid 41 and name HD1#)
4.300 2.300 1.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.63971E-03 ppm1 9.176 ppm2 0.819 CV 1
ASSI ! 1164!
(( segid " " and resid 93 and name HN ))
( segid " " and resid 41 and name HD2#)
4.800 2.900 1.200 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.58377E-03 ppm1 9.184 ppm2 0.921 CV 1
ASSI ! 1165!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 66 and name HA ))
4.800 2.800 1.200 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.32609E-03 ppm1 9.189 ppm2 5.199 CV 1
ASSI ! 1166!
(( segid " " and resid 93 and name HN ))
( segid " " and resid 66 and name HG2#)
4.100 2.100 1.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.76659E-03 ppm1 9.187 ppm2 1.048 CV 1
ASSI ! 1167!
(( segid " " and resid 93 and name HN ))
( segid " " and resid 89 and name HD1#)
4.100 2.100 1.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.43849E-03 ppm1 9.185 ppm2 0.646 CV 1
ASSI ! 1168!
(( segid " " and resid 93 and name HN ))
( segid " " and resid 89 and name HD2#)
3.400 3.400 2.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.26930E-03 ppm1 9.191 ppm2 0.220 CV 1
ASSI ! 1169!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
2.200 0.600 0.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.69142E-02 ppm1 9.188 ppm2 4.150 CV 1
ASSI ! 1170!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB1 ))
3.100 1.200 1.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19360E-02 ppm1 9.189 ppm2 1.577 CV 1
ASSI ! 1171!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB2 ))
3.900 1.900 1.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 9.185 ppm2 1.468 CV 1
ASSI ! 1173!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HA ))
2.800 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 9.186 ppm2 3.833 CV 1
ASSI ! 1174!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB1 ))
2.700 0.900 0.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.22017E-02 ppm1 9.187 ppm2 2.075 CV 1
ASSI ! 1175!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB2 ))
2.400 0.700 0.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.28184E-02 ppm1 9.189 ppm2 1.906 CV 1
ASSI ! 1176!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
4.200 2.200 1.800 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.98069E-03 ppm1 9.187 ppm2 2.430 CV 1
ASSI ! 1178!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 94 and name HN ))
4.200 2.200 1.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.51749E-03 ppm1 9.186 ppm2 9.418 CV 1
ASSI ! 1179!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 113 and name HD1 ))
5.300 3.500 0.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.55781E-03 ppm1 9.186 ppm2 4.011 CV 1
ASSI ! 1180!
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 113 and name HD2 ))
4.300 2.300 1.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.33203E-03 ppm1 9.186 ppm2 3.624 CV 1
ASSI ! 1181!
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 65 and name HN ))
4.400 2.400 1.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.25234E-03 ppm1 9.427 ppm2 9.132 CV 1
ASSI ! 1183!
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 66 and name HB ))
4.900 3.000 1.100 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.36563E-03 ppm1 9.418 ppm2 4.166 CV 1
ASSI ! 1188!
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HB2 ))
4.600 2.700 1.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.43380E-03 ppm1 9.423 ppm2 1.890 CV 1
ASSI ! 1194!
(( segid " " and resid 94 and name HN ))
( segid " " and resid 94 and name HD# )
5.300 3.500 0.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.26403E-03 ppm1 9.421 ppm2 6.922 CV 1
ASSI ! 1198!
(( segid " " and resid 95 and name HN ))
( segid " " and resid 64 and name HG2#)
4.000 2.000 2.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.56940E-03 ppm1 7.291 ppm2 0.678 CV 1
ASSI ! 1199!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 65 and name HA ))
4.500 2.600 1.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.37808E-03 ppm1 7.291 ppm2 5.527 CV 1
ASSI ! 1200!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 65 and name HB1 ))
3.700 1.700 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.17696E-02 ppm1 7.291 ppm2 2.168 CV 1
ASSI ! 1201!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.000 1.100 1.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 7.291 ppm2 1.679 CV 1
ASSI ! 1202!
(( segid " " and resid 95 and name HN ))
( segid " " and resid 65 and name HD1#)
4.200 2.200 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.83309E-03 ppm1 7.290 ppm2 1.145 CV 1
ASSI ! 1203!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 65 and name HG ))
4.200 2.200 1.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.73935E-03 ppm1 7.294 ppm2 1.872 CV 1
ASSI ! 1205!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 66 and name HA ))
4.200 2.200 1.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.74284E-03 ppm1 7.295 ppm2 5.215 CV 1
ASSI ! 1206!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HA ))
4.000 2.000 2.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.79110E-03 ppm1 7.290 ppm2 3.836 CV 1
ASSI ! 1207!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
3.400 1.400 1.400 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 7.288 ppm2 2.437 CV 1
ASSI ! 1208!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA ))
3.800 1.800 1.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.71053E-03 ppm1 7.286 ppm2 4.758 CV 1
ASSI ! 1209!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB1 ))
2.700 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 7.290 ppm2 2.906 CV 1
ASSI ! 1210!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB2 ))
3.700 1.700 1.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.19892E-02 ppm1 7.290 ppm2 2.303 CV 1
ASSI ! 1211!
(( segid " " and resid 95 and name HN ))
( segid " " and resid 94 and name HE# )
4.600 2.700 1.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.55270E-03 ppm1 7.287 ppm2 6.795 CV 1
ASSI ! 1212!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HN ))
2.500 0.800 0.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.29507E-02 ppm1 7.290 ppm2 9.418 CV 1
ASSI ! 1213!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HA ))
3.000 1.100 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.12073E-02 ppm1 7.289 ppm2 4.693 CV 1
ASSI ! 1214!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB1 ))
3.200 1.300 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.14066E-02 ppm1 7.291 ppm2 0.951 CV 1
ASSI ! 1215!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB2 ))
3.400 1.400 1.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.79122E-03 ppm1 7.291 ppm2 0.842 CV 1
ASSI ! 1216!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HD2 ))
4.800 2.900 1.200 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.49381E-03 ppm1 7.290 ppm2 1.040 CV 1
ASSI ! 1217!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HG1 ))
4.200 2.200 1.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.45760E-03 ppm1 7.291 ppm2 0.643 CV 1
ASSI ! 1218!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HG2 ))
4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.58414E-03 ppm1 7.286 ppm2 0.067 CV 1
ASSI ! 1220!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HG1 ))
4.200 2.200 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.33722E-03 ppm1 7.298 ppm2 3.307 CV 1
ASSI ! 1221!
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HN ))
4.400 2.400 1.600 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.46428E-03 ppm1 7.284 ppm2 8.732 CV 1
ASSI ! 1224!
(( segid " " and resid 96 and name HN ))
( segid " " and resid 93 and name HE# )
3.600 1.600 1.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 8.727 ppm2 1.876 CV 1
ASSI ! 1225!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
4.600 2.700 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.26707E-03 ppm1 8.726 ppm2 2.442 CV 1
ASSI ! 1226!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
2.200 0.600 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.70434E-02 ppm1 8.724 ppm2 4.689 CV 1
ASSI ! 1227!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HB1 ))
3.400 1.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.15345E-02 ppm1 8.725 ppm2 0.946 CV 1
ASSI ! 1228!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HB2 ))
3.600 1.600 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.21411E-02 ppm1 8.724 ppm2 0.832 CV 1
ASSI ! 1229!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HD1 ))
4.600 2.700 1.400 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.33346E-03 ppm1 8.724 ppm2 1.212 CV 1
ASSI ! 1230!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HD2 ))
4.700 2.800 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.39252E-03 ppm1 8.725 ppm2 1.042 CV 1
ASSI ! 1231!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HG2 ))
4.300 2.400 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.36856E-03 ppm1 8.719 ppm2 0.063 CV 1
ASSI ! 1233!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HA ))
3.000 1.100 1.100 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 8.725 ppm2 5.143 CV 1
ASSI ! 1234!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB ))
2.700 0.900 0.900 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.24605E-02 ppm1 8.723 ppm2 3.668 CV 1
ASSI ! 1235!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HG1 ))
3.000 1.100 1.100 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.25807E-02 ppm1 8.724 ppm2 3.304 CV 1
ASSI ! 1236!
(( segid " " and resid 96 and name HN ))
( segid " " and resid 96 and name HG2#)
3.700 1.700 1.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 8.723 ppm2 0.643 CV 1
ASSI ! 1238!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HN ))
4.200 2.200 1.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.48920E-03 ppm1 8.726 ppm2 8.964 CV 1
ASSI ! 1239!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.000 1.100 1.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 8.723 ppm2 0.315 CV 1
ASSI ! 1240!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 110 and name HB ))
3.400 1.400 1.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.97554E-03 ppm1 8.726 ppm2 1.448 CV 1
ASSI ! 1241!
(( segid " " and resid 96 and name HN ))
( segid " " and resid 110 and name HD1#)
4.500 2.600 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.65857E-03 ppm1 8.725 ppm2 1.017 CV 1
ASSI ! 1242!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 110 and name HN ))
2.800 1.000 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 8.724 ppm2 8.617 CV 1
ASSI ! 1243!
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 112 and name HN ))
5.000 3.100 1.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.49045E-03 ppm1 8.721 ppm2 7.988 CV 1
ASSI ! 1244!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.500 1.500 1.500 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.98684E-03 ppm1 8.968 ppm2 0.864 CV 1
ASSI ! 1245!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 63 and name HB ))
4.600 2.600 1.400 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.69599E-03 ppm1 8.969 ppm2 1.779 CV 1
ASSI ! 1246!
(( segid " " and resid 97 and name HN ))
( segid " " and resid 63 and name HG2#)
3.200 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.35815E-03 ppm1 8.975 ppm2 0.249 CV 1
ASSI ! 1249!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HA ))
2.200 0.600 0.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.53069E-02 ppm1 8.970 ppm2 5.147 CV 1
ASSI ! 1250!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB ))
4.600 2.700 1.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.31523E-03 ppm1 8.979 ppm2 3.683 CV 1
ASSI ! 1251!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HG1 ))
5.400 3.700 0.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.26639E-03 ppm1 8.976 ppm2 3.298 CV 1
ASSI ! 1254!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA ))
3.000 1.100 1.100 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 8.971 ppm2 5.035 CV 1
ASSI ! 1255!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HB1 ))
4.000 2.000 2.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.10723E-02 ppm1 8.971 ppm2 2.747 CV 1
ASSI ! 1257!
(( segid " " and resid 97 and name HN ))
( segid " " and resid 97 and name HD# )
3.300 1.400 1.400 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.60263E-03 ppm1 8.970 ppm2 6.876 CV 1
ASSI ! 1258!
(( segid " " and resid 97 and name HN ))
( segid " " and resid 97 and name HE# )
5.500 3.800 0.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.25948E-03 ppm1 8.961 ppm2 6.417 CV 1
ASSI ! 1260!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HN ))
3.800 1.800 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 8.970 ppm2 9.190 CV 1
ASSI ! 1261!
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
4.800 2.900 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.33538E-03 ppm1 8.976 ppm2 0.315 CV 1
ASSI ! 1262!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 107 and name HN ))
4.300 2.300 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.30494E-03 ppm1 9.185 ppm2 8.331 CV 1
ASSI ! 1263!
(( segid " " and resid 98 and name HN ))
( segid " " and resid 49 and name HD2#)
5.400 3.600 0.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.27510E-03 ppm1 9.189 ppm2 -1.141 CV 1
ASSI ! 1264!
(( segid " " and resid 98 and name HN ))
( segid " " and resid 96 and name HG2#)
4.300 2.400 1.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.37600E-03 ppm1 9.183 ppm2 0.640 CV 1
ASSI ! 1265!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HA ))
2.300 0.700 0.700 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.51171E-02 ppm1 9.189 ppm2 5.032 CV 1
ASSI ! 1266!
(( segid " " and resid 98 and name HN ))
( segid " " and resid 97 and name HE# )
5.500 3.800 0.500 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.30214E-03 ppm1 9.186 ppm2 6.419 CV 1
ASSI ! 1269!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB1 ))
3.500 1.500 1.500 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 9.189 ppm2 2.763 CV 1
ASSI ! 1270!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB2 ))
2.700 0.900 0.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 9.188 ppm2 2.568 CV 1
ASSI ! 1271!
(( segid " " and resid 98 and name HN ))
( segid " " and resid 98 and name HD# )
2.800 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 9.190 ppm2 6.910 CV 1
ASSI ! 1273!
(( segid " " and resid 98 and name HN ))
( segid " " and resid 99 and name HD# )
3.700 1.800 1.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.85410E-03 ppm1 9.188 ppm2 7.020 CV 1
ASSI ! 1274!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 106 and name HA ))
4.300 2.300 1.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.31466E-03 ppm1 9.203 ppm2 3.378 CV 1
ASSI ! 1275!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 106 and name HB1 ))
4.000 2.000 2.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 9.184 ppm2 3.994 CV 1
ASSI ! 1276!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 108 and name HB1 ) or ( segid " " and resid 108 and name HB2 ))
3.900 1.900 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.63868E-03 ppm1 9.192 ppm2 2.223 CV 1
ASSI ! 1277!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 108 and name HN ))
3.200 1.200 1.200 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 9.190 ppm2 7.824 CV 1
ASSI ! 1278!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 109 and name HB ))
5.100 3.300 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.51258E-03 ppm1 9.189 ppm2 1.456 CV 1
ASSI ! 1279!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 109 and name HG2#) or ( segid " " and resid 109 and name HG1#))
4.100 2.200 1.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.62244E-03 ppm1 9.188 ppm2 0.324 CV 1
ASSI ! 1280!
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 110 and name HN ))
5.200 3.300 0.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.31938E-03 ppm1 9.176 ppm2 8.616 CV 1
ASSI ! 1281!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 60 and name HN ))
3.900 1.900 1.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.48576E-03 ppm1 8.971 ppm2 9.217 CV 1
ASSI ! 1283!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 61 and name HG2 ))
4.900 3.000 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.41376E-03 ppm1 8.975 ppm2 0.747 CV 1
ASSI ! 1286!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.900 1.900 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.55175E-03 ppm1 8.973 ppm2 0.915 CV 1
ASSI ! 1288!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HB1 ))
3.700 1.700 1.700 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.48642E-03 ppm1 8.973 ppm2 2.796 CV 1
ASSI ! 1289!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HB2 ))
4.200 2.200 1.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.79214E-03 ppm1 8.969 ppm2 2.562 CV 1
ASSI ! 1290!
(( segid " " and resid 99 and name HN ))
( segid " " and resid 98 and name HD# )
4.200 2.200 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.62426E-03 ppm1 8.980 ppm2 6.909 CV 1
ASSI ! 1291!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HN ))
4.300 2.400 1.700 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.54614E-03 ppm1 8.972 ppm2 9.188 CV 1
ASSI ! 1292!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HA ))
3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 8.980 ppm2 4.900 CV 1
ASSI ! 1293!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HB1 ))
4.100 2.100 1.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 8.972 ppm2 3.218 CV 1
ASSI ! 1295!
(( segid " " and resid 99 and name HN ))
( segid " " and resid 99 and name HD# )
3.000 1.100 1.100 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 8.975 ppm2 7.032 CV 1
ASSI ! 1296!
(( segid " " and resid 99 and name HN ))
( segid " " and resid 99 and name HE# )
4.900 3.000 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.43343E-03 ppm1 8.969 ppm2 7.253 CV 1
ASSI ! 1298!
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HN ))
4.800 2.800 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.25303E-03 ppm1 8.975 ppm2 9.482 CV 1
ASSI ! 1299!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 60 and name HN ))
4.500 2.600 1.500 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.27092E-03 ppm1 9.473 ppm2 9.220 CV 1
ASSI ! 1300!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HA ))
2.400 0.700 0.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.25886E-02 ppm1 9.479 ppm2 4.898 CV 1
ASSI ! 1302!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HB2 ))
4.700 2.700 1.300 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.42325E-03 ppm1 9.475 ppm2 2.974 CV 1
ASSI ! 1304!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HA ))
3.100 1.200 1.200 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.70882E-03 ppm1 9.479 ppm2 4.536 CV 1
ASSI ! 1306!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HB2 ))
2.800 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.13087E-02 ppm1 9.478 ppm2 1.492 CV 1
ASSI ! 1308!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HD2 ))
2.400 0.700 0.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 9.478 ppm2 1.515 CV 1
ASSI ! 1309!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HE1 ))
5.400 3.700 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.31297E-03 ppm1 9.478 ppm2 3.076 CV 1
ASSI ! 1310!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HE2 ))
6.000 4.600 0.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.18990E-03 ppm1 9.476 ppm2 2.729 CV 1
ASSI ! 1314!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 101 and name HN ))
4.800 2.900 1.200 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.37914E-03 ppm1 9.480 ppm2 8.061 CV 1
ASSI ! 1315!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 103 and name HB1 ))
3.900 1.900 1.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.65172E-03 ppm1 9.479 ppm2 2.337 CV 1
ASSI ! 1316!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 103 and name HB2 ))
3.100 1.200 1.200 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.83952E-03 ppm1 9.478 ppm2 2.292 CV 1
ASSI ! 1317!
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 106 and name HA ))
4.400 2.400 1.600 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.37253E-03 ppm1 9.477 ppm2 3.385 CV 1
ASSI ! 1318!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 58 and name HG1 ))
4.000 2.000 2.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.47234E-03 ppm1 8.071 ppm2 2.300 CV 1
ASSI ! 1319!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 58 and name HG2 ))
3.300 3.300 2.700 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.34403E-03 ppm1 8.065 ppm2 0.937 CV 1
ASSI ! 1320!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 59 and name HA ))
3.100 1.200 1.200 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.18282E-02 ppm1 8.068 ppm2 4.611 CV 1
ASSI ! 1321!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
3.000 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.16508E-02 ppm1 8.069 ppm2 2.037 CV 1
ASSI ! 1323!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 60 and name HG2 ))
5.000 3.100 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.60084E-03 ppm1 8.068 ppm2 2.274 CV 1
ASSI ! 1324!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 60 and name HN ))
3.500 1.500 1.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.14459E-02 ppm1 8.070 ppm2 9.230 CV 1
ASSI ! 1325!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HA ))
2.200 0.600 0.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.54922E-02 ppm1 8.068 ppm2 4.531 CV 1
ASSI ! 1326!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB1 ))
2.300 0.700 0.700 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.32657E-02 ppm1 8.067 ppm2 1.875 CV 1
ASSI ! 1327!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB2 ))
3.800 1.800 1.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 8.068 ppm2 1.490 CV 1
ASSI ! 1328!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HG1 ))
4.600 2.600 1.400 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.55507E-03 ppm1 8.069 ppm2 1.337 CV 1
ASSI ! 1329!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HG2 ))
4.900 3.000 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.56433E-03 ppm1 8.068 ppm2 0.475 CV 1
ASSI ! 1333!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HD1 ) or ( segid " " and resid 101 and name HD2 ))
4.300 2.400 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.10179E-02 ppm1 8.069 ppm2 1.687 CV 1
ASSI ! 1334!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HE1 ) or ( segid " " and resid 101 and name HE2 ))
5.000 3.100 1.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.47006E-03 ppm1 8.067 ppm2 3.000 CV 1
ASSI ! 1335!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HG1 ) or ( segid " " and resid 101 and name HG2 ))
3.900 1.900 1.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.17372E-02 ppm1 8.068 ppm2 1.438 CV 1
ASSI ! 1336!
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HG2 ) or ( segid " " and resid 101 and name HG1 ))
4.000 2.000 2.000 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 8.069 ppm2 1.381 CV 1
ASSI ! 1339!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
4.100 2.100 1.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.17792E-02 ppm1 8.902 ppm2 2.038 CV 1
ASSI ! 1340!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 60 and name HG1 ))
3.400 3.400 2.600 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.27739E-03 ppm1 8.902 ppm2 2.474 CV 1
ASSI ! 1341!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 60 and name HG2 ))
3.000 3.000 3.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.53181E-03 ppm1 8.906 ppm2 2.286 CV 1
ASSI ! 1342!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HB2 ) or ( segid " " and resid 101 and name HB1 ))
4.000 2.000 2.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.13482E-02 ppm1 8.903 ppm2 1.811 CV 1
ASSI ! 1343!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HD2 ) or ( segid " " and resid 101 and name HD1 ))
2.900 2.900 3.100 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.73939E-03 ppm1 8.900 ppm2 1.691 CV 1
ASSI ! 1344!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HG1 ) or ( segid " " and resid 101 and name HG2 ))
3.300 1.400 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.14468E-02 ppm1 8.901 ppm2 1.437 CV 1
ASSI ! 1345!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HG2 ) or ( segid " " and resid 101 and name HG1 ))
3.200 1.300 1.300 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.14807E-02 ppm1 8.902 ppm2 1.388 CV 1
ASSI ! 1346!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HN ))
3.300 1.400 1.400 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.39666E-02 ppm1 8.902 ppm2 8.053 CV 1
ASSI ! 1347!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA1 ))
2.400 0.700 0.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.13660E-01 ppm1 8.903 ppm2 4.197 CV 1
ASSI ! 1348!
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA2 ))
2.400 0.700 0.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.51188E-02 ppm1 8.899 ppm2 3.813 CV 1
ASSI ! 1351!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
3.300 3.300 2.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.33866E-03 ppm1 8.044 ppm2 2.049 CV 1
ASSI ! 1352!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 100 and name HB1 ))
4.500 2.500 1.500 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.33422E-03 ppm1 8.047 ppm2 1.890 CV 1
ASSI ! 1353!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 100 and name HB2 ))
4.100 2.100 1.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.32503E-03 ppm1 8.044 ppm2 1.472 CV 1
ASSI ! 1354!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 100 and name HN ))
4.300 2.300 1.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.33335E-03 ppm1 8.055 ppm2 9.466 CV 1
ASSI ! 1355!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HA1 ))
3.000 1.100 1.100 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.22990E-02 ppm1 8.045 ppm2 4.194 CV 1
ASSI ! 1356!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HA2 ))
3.600 1.600 1.600 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 8.044 ppm2 3.825 CV 1
ASSI ! 1357!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HN ))
2.700 0.900 0.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.30018E-02 ppm1 8.044 ppm2 8.901 CV 1
ASSI ! 1359!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HB1 ))
3.100 1.200 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.48368E-02 ppm1 8.045 ppm2 2.347 CV 1
ASSI ! 1360!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HB2 ))
2.400 0.700 0.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.50889E-02 ppm1 8.045 ppm2 2.306 CV 1
ASSI ! 1362!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 104 and name HN ))
4.600 2.600 1.400 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.58178E-03 ppm1 8.048 ppm2 8.739 CV 1
ASSI ! 1363!
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 105 and name HN ))
5.300 3.500 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.45440E-03 ppm1 8.050 ppm2 7.611 CV 1
ASSI ! 1365!
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HB1 ))
3.100 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 8.734 ppm2 2.358 CV 1
ASSI ! 1366!
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HB2 ))
3.800 1.800 1.800 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 8.736 ppm2 2.307 CV 1
ASSI ! 1369!
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HB1 ))
3.400 1.400 1.400 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 8.737 ppm2 4.023 CV 1
ASSI ! 1372!
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 105 and name HB2 ))
5.200 3.400 0.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.31587E-03 ppm1 8.739 ppm2 1.769 CV 1
ASSI ! 1373!
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 105 and name HN ))
2.300 0.700 0.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.41340E-02 ppm1 8.736 ppm2 7.605 CV 1
ASSI ! 1376!
(( segid " " and resid 105 and name HN ))
( segid " " and resid 99 and name HD# )
3.900 1.900 1.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.35449E-03 ppm1 7.605 ppm2 7.031 CV 1
ASSI ! 1378!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 103 and name HB1 ))
2.800 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 7.606 ppm2 2.358 CV 1
ASSI ! 1379!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 103 and name HB2 ))
3.700 1.700 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 7.605 ppm2 2.310 CV 1
ASSI ! 1381!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HA ))
3.400 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 7.608 ppm2 4.599 CV 1
ASSI ! 1382!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HB1 ))
4.100 2.100 1.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.66310E-03 ppm1 7.607 ppm2 4.023 CV 1
ASSI ! 1383!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HB2 ))
4.300 2.300 1.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.53584E-03 ppm1 7.601 ppm2 3.848 CV 1
ASSI ! 1385!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HA ))
2.900 1.100 1.100 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.16593E-02 ppm1 7.608 ppm2 5.592 CV 1
ASSI ! 1386!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HB1 ))
2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.27197E-02 ppm1 7.606 ppm2 1.838 CV 1
ASSI ! 1387!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HB2 ))
2.700 0.900 0.900 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 7.606 ppm2 1.779 CV 1
ASSI ! 1388!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HG1 ))
3.800 1.800 1.800 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.64216E-03 ppm1 7.606 ppm2 1.586 CV 1
ASSI ! 1389!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HG2 ))
3.800 1.800 1.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.79683E-03 ppm1 7.603 ppm2 1.441 CV 1
ASSI ! 1391!
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 106 and name HN ))
4.500 2.500 1.500 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.48210E-03 ppm1 7.603 ppm2 8.233 CV 1
ASSI ! 1402!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HA ))
2.300 0.700 0.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.64491E-02 ppm1 8.230 ppm2 5.587 CV 1
ASSI ! 1403!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HB1 ))
3.600 1.600 1.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 8.232 ppm2 1.828 CV 1
ASSI ! 1404!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HB2 ))
3.800 1.800 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 8.233 ppm2 1.766 CV 1
ASSI ! 1405!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HG1 ))
3.600 1.600 1.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.10080E-02 ppm1 8.230 ppm2 1.573 CV 1
ASSI ! 1406!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HG2 ))
3.500 1.500 1.500 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 8.230 ppm2 1.440 CV 1
ASSI ! 1408!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HA ))
3.100 1.200 1.200 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 8.229 ppm2 3.375 CV 1
ASSI ! 1409!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HB1 ))
3.100 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 8.228 ppm2 3.989 CV 1
ASSI ! 1410!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HB2 ))
3.300 1.300 1.300 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 8.229 ppm2 2.775 CV 1
ASSI ! 1412!
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 107 and name HN ))
4.400 2.400 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.65998E-03 ppm1 8.230 ppm2 8.339 CV 1
ASSI ! 1413!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 98 and name HB2 ))
4.600 2.600 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 8.323 ppm2 2.564 CV 1
ASSI ! 1415!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 99 and name HA ))
3.500 1.500 1.500 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.76070E-03 ppm1 8.330 ppm2 4.890 CV 1
ASSI ! 1416!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 100 and name HN ))
3.400 3.400 2.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.27685E-03 ppm1 8.335 ppm2 9.481 CV 1
ASSI ! 1417!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HA ))
2.500 0.800 0.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.28667E-02 ppm1 8.330 ppm2 3.370 CV 1
ASSI ! 1418!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HB1 ))
3.900 1.900 1.900 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 8.331 ppm2 3.987 CV 1
ASSI ! 1419!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HB2 ))
3.600 1.600 1.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.92678E-03 ppm1 8.331 ppm2 2.771 CV 1
ASSI ! 1421!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HA ))
3.300 1.400 1.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 8.330 ppm2 5.016 CV 1
ASSI ! 1422!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HB1 ))
3.900 1.900 1.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.49423E-03 ppm1 8.330 ppm2 4.229 CV 1
ASSI ! 1423!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HB2 ))
3.700 1.700 1.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.52588E-03 ppm1 8.333 ppm2 4.112 CV 1
ASSI ! 1425!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 108 and name HB1 ) or ( segid " " and resid 108 and name HB2 ))
5.600 3.900 0.400 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.21295E-03 ppm1 8.328 ppm2 2.234 CV 1
ASSI ! 1426!
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 108 and name HN ))
2.200 0.600 0.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.50312E-02 ppm1 8.332 ppm2 7.817 CV 1
ASSI ! 1428!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 98 and name HA ))
3.300 3.300 2.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.34299E-03 ppm1 7.824 ppm2 5.188 CV 1
ASSI ! 1429!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 98 and name HB2 ))
3.500 1.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.59145E-03 ppm1 7.821 ppm2 2.556 CV 1
ASSI ! 1431!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 99 and name HA ))
3.000 3.000 3.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.55096E-03 ppm1 7.821 ppm2 4.886 CV 1
ASSI ! 1432!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 106 and name HA ))
4.600 2.700 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.10030E-02 ppm1 7.821 ppm2 3.380 CV 1
ASSI ! 1433!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 106 and name HB1 ))
4.700 2.700 1.300 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.71630E-03 ppm1 7.823 ppm2 3.996 CV 1
ASSI ! 1434!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 106 and name HB2 ))
4.100 2.100 1.900 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.91258E-03 ppm1 7.819 ppm2 2.769 CV 1
ASSI ! 1440!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB1 ) or ( segid " " and resid 108 and name HB2 ))
2.900 1.000 1.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 7.821 ppm2 2.224 CV 1
ASSI ! 1441!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
3.200 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 7.821 ppm2 2.199 CV 1
ASSI ! 1443!
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 109 and name HG2#) or ( segid " " and resid 109 and name HG1#))
4.100 2.100 1.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.39962E-03 ppm1 7.818 ppm2 0.316 CV 1
ASSI ! 1452!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 107 and name HA ))
3.200 3.200 2.800 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.40765E-03 ppm1 7.755 ppm2 5.005 CV 1
ASSI ! 1453!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HA ))
2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.45070E-02 ppm1 7.757 ppm2 4.748 CV 1
ASSI ! 1454!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HB1 ) or ( segid " " and resid 108 and name HB2 ))
4.400 2.500 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.56429E-03 ppm1 7.761 ppm2 2.228 CV 1
ASSI ! 1455!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HN ))
3.700 1.700 1.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.13939E-02 ppm1 7.756 ppm2 7.818 CV 1
ASSI ! 1456!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HA ))
2.900 1.100 1.100 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.16850E-02 ppm1 7.756 ppm2 5.218 CV 1
ASSI ! 1457!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB ))
3.000 1.100 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.16925E-02 ppm1 7.755 ppm2 1.463 CV 1
ASSI ! 1458!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HG2#) or ( segid " " and resid 109 and name HG1#))
2.600 0.900 0.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.62028E-02 ppm1 7.756 ppm2 0.324 CV 1
ASSI ! 1460!
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 110 and name HN ))
4.400 2.500 1.600 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.49091E-03 ppm1 7.753 ppm2 8.617 CV 1
ASSI ! 1461!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 96 and name HB ))
3.300 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.81606E-03 ppm1 8.620 ppm2 3.671 CV 1
ASSI ! 1462!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 96 and name HG1 ))
4.900 3.000 1.100 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.35049E-03 ppm1 8.618 ppm2 3.311 CV 1
ASSI ! 1463!
(( segid " " and resid 110 and name HN ))
( segid " " and resid 96 and name HG2#)
4.000 2.000 2.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.54373E-03 ppm1 8.620 ppm2 0.653 CV 1
ASSI ! 1465!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 97 and name HA ))
3.700 1.700 1.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.90593E-03 ppm1 8.616 ppm2 5.029 CV 1
ASSI ! 1466!
(( segid " " and resid 110 and name HN ))
( segid " " and resid 98 and name HD# )
3.900 1.900 1.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.49531E-03 ppm1 8.622 ppm2 6.906 CV 1
ASSI ! 1468!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
2.500 0.800 0.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.50806E-02 ppm1 8.617 ppm2 0.322 CV 1
ASSI ! 1470!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HA ))
3.200 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.82802E-03 ppm1 8.616 ppm2 4.017 CV 1
ASSI ! 1471!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HB ))
2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.23159E-02 ppm1 8.617 ppm2 1.453 CV 1
ASSI ! 1473!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HG11))
3.300 1.400 1.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.60279E-03 ppm1 8.620 ppm2 1.702 CV 1
ASSI ! 1474!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HG12))
4.000 2.000 2.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.91806E-03 ppm1 8.617 ppm2 0.917 CV 1
ASSI ! 1475!
(( segid " " and resid 110 and name HN ))
( segid " " and resid 110 and name HG2#)
4.000 2.000 2.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.11316E-02 ppm1 8.619 ppm2 0.818 CV 1
ASSI ! 1477!
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 111 and name HN ))
4.400 2.400 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.40385E-03 ppm1 8.615 ppm2 8.943 CV 1
ASSI ! 1478!
(( segid " " and resid 111 and name HD21))
(( segid " " and resid 95 and name HE2 ))
4.200 2.200 1.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.38046E-03 ppm1 7.573 ppm2 2.455 CV 1
ASSI ! 1479!
(( segid " " and resid 111 and name HD21))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.400 1.500 1.500 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.75625E-03 ppm1 7.572 ppm2 0.315 CV 1
ASSI ! 1482!
(( segid " " and resid 111 and name HD21))
(( segid " " and resid 111 and name HD22))
1.600 0.300 0.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.21912E-01 ppm1 7.573 ppm2 7.045 CV 1
ASSI ! 1484!
(( segid " " and resid 111 and name HD22))
(( segid " " and resid 95 and name HE1 ))
4.900 3.000 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.29188E-03 ppm1 7.037 ppm2 2.589 CV 1
ASSI ! 1486!
(( segid " " and resid 111 and name HD22))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.800 1.800 1.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.50129E-03 ppm1 7.047 ppm2 0.319 CV 1
ASSI ! 1488!
(( segid " " and resid 111 and name HD22))
(( segid " " and resid 111 and name HB2 ))
4.800 2.900 1.200 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.40910E-03 ppm1 7.047 ppm2 2.676 CV 1
ASSI ! 1492!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 95 and name HA ))
5.200 3.400 0.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.28010E-03 ppm1 8.930 ppm2 4.684 CV 1
ASSI ! 1493!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.900 1.900 1.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.59253E-03 ppm1 8.933 ppm2 0.316 CV 1
ASSI ! 1494!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HA ))
2.400 0.700 0.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.44414E-02 ppm1 8.934 ppm2 4.015 CV 1
ASSI ! 1495!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HB ))
4.700 2.700 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 8.928 ppm2 1.440 CV 1
ASSI ! 1496!
(( segid " " and resid 111 and name HN ))
( segid " " and resid 110 and name HD1#)
3.100 3.100 2.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.44746E-03 ppm1 8.935 ppm2 1.022 CV 1
ASSI ! 1497!
(( segid " " and resid 111 and name HN ))
( segid " " and resid 110 and name HG2#)
3.100 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.29461E-02 ppm1 8.935 ppm2 0.814 CV 1
ASSI ! 1500!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HB1 ))
3.600 1.600 1.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.18999E-02 ppm1 8.934 ppm2 2.821 CV 1
ASSI ! 1501!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HB2 ))
2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.23958E-02 ppm1 8.934 ppm2 2.685 CV 1
ASSI ! 1502!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HD21))
3.600 1.600 1.600 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.52538E-03 ppm1 8.931 ppm2 7.577 CV 1
ASSI ! 1503!
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HD22))
4.600 2.700 1.400 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.36010E-03 ppm1 8.945 ppm2 7.037 CV 1
ASSI ! 1507!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HA ))
3.200 1.300 1.300 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 7.984 ppm2 4.690 CV 1
ASSI ! 1508!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HB1 ))
3.100 3.100 2.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.44638E-03 ppm1 7.992 ppm2 0.941 CV 1
ASSI ! 1509!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HB2 ))
4.100 2.100 1.900 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.52264E-03 ppm1 7.991 ppm2 0.817 CV 1
ASSI ! 1510!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HD2 ))
3.700 3.700 2.300 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.17275E-03 ppm1 7.988 ppm2 1.037 CV 1
ASSI ! 1511!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HG1 ))
3.000 3.000 3.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.55183E-03 ppm1 7.979 ppm2 0.635 CV 1
ASSI ! 1512!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 95 and name HN ))
4.400 2.500 1.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.29117E-03 ppm1 7.980 ppm2 7.293 CV 1
! ASSI ! 1514!
! (( segid " " and resid 112 and name HN ))
! (( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
! 3.200 3.200 2.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.39128E-03 ppm1 7.992 ppm2 0.322 CV 1
ASSI ! 1517!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HB2 ))
4.200 2.200 1.800 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.87848E-03 ppm1 7.991 ppm2 2.683 CV 1
ASSI ! 1518!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HN ))
4.400 2.400 1.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.78977E-03 ppm1 7.987 ppm2 8.943 CV 1
ASSI ! 1520!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HA2 ))
3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.23799E-02 ppm1 7.988 ppm2 3.843 CV 1
ASSI ! 1522!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 113 and name HD1 ))
4.800 2.900 1.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.66492E-03 ppm1 7.987 ppm2 4.001 CV 1
ASSI ! 1523!
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 113 and name HD2 ))
4.800 2.800 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.51450E-03 ppm1 7.985 ppm2 3.633 CV 1
ASSI ! 1524!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 67 and name HG1 ))
5.200 3.300 0.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.27789E-03 ppm1 8.936 ppm2 2.642 CV 1
ASSI ! 1525!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 67 and name HG2 ))
4.700 2.800 1.300 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.45083E-03 ppm1 8.936 ppm2 2.565 CV 1
ASSI ! 1526!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 92 and name HB1 ))
3.300 1.400 1.400 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.18624E-02 ppm1 8.938 ppm2 1.582 CV 1
ASSI ! 1527!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 92 and name HB2 ))
4.500 2.500 1.500 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 8.937 ppm2 1.468 CV 1
ASSI ! 1528!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 92 and name HE1 ) or ( segid " " and resid 92 and name HE2 ))
3.000 3.000 3.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.57389E-03 ppm1 8.938 ppm2 2.998 CV 1
ASSI ! 1529!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 92 and name HG2 ))
4.100 2.100 1.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.71709E-03 ppm1 8.937 ppm2 1.445 CV 1
ASSI ! 1530!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 93 and name HN ))
4.700 2.800 1.300 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.39740E-03 ppm1 8.933 ppm2 9.181 CV 1
ASSI ! 1532!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 94 and name HB1 ))
5.800 4.200 0.200 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.41146E-03 ppm1 8.937 ppm2 2.909 CV 1
ASSI ! 1533!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 94 and name HB2 ))
4.300 2.300 1.700 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.79645E-03 ppm1 8.937 ppm2 2.299 CV 1
ASSI ! 1536!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HN ))
3.300 3.300 2.700 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.32001E-03 ppm1 8.933 ppm2 7.992 CV 1
ASSI ! 1537!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HA ))
2.800 1.000 1.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.14904E-02 ppm1 8.940 ppm2 4.614 CV 1
ASSI ! 1538!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HB1 ))
4.500 2.500 1.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.81290E-03 ppm1 8.937 ppm2 2.284 CV 1
ASSI ! 1539!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HB2 ))
3.800 1.800 1.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.71829E-03 ppm1 8.939 ppm2 1.982 CV 1
ASSI ! 1540!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HD2 ))
2.800 2.800 3.200 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.78462E-03 ppm1 8.939 ppm2 3.634 CV 1
ASSI ! 1542!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HG2 ))
3.700 1.700 1.700 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 8.939 ppm2 1.893 CV 1
ASSI ! 1543!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HA1 ))
2.500 0.800 0.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.34274E-02 ppm1 8.938 ppm2 4.049 CV 1
ASSI ! 1544!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HA2 ))
2.400 0.700 0.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.41768E-02 ppm1 8.939 ppm2 3.194 CV 1
ASSI ! 1546!
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 115 and name HN ))
3.000 1.100 1.100 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.76315E-03 ppm1 8.941 ppm2 9.559 CV 1
ASSI ! 1547!
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 67 and name HG1 ))
4.600 2.600 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 9.551 ppm2 2.648 CV 1
ASSI ! 1548!
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 67 and name HG2 ))
4.200 2.200 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.46516E-03 ppm1 9.552 ppm2 2.568 CV 1
ASSI ! 1555!
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HD1 ) or ( segid " " and resid 115 and name HD2 ))
4.200 2.300 1.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.84937E-03 ppm1 9.551 ppm2 1.663 CV 1
ASSI ! 1556!
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HE1 ) or ( segid " " and resid 115 and name HE2 ))
5.300 3.500 0.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.24270E-03 ppm1 9.551 ppm2 2.999 CV 1
ASSI ! 1559!
(( segid " " and resid 115 and name HN ))
( segid " " and resid 116 and name HG2#)
4.500 2.600 1.500 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.58086E-03 ppm1 9.553 ppm2 0.862 CV 1
ASSI ! 1561!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 67 and name HA ))
4.500 2.500 1.500 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.27837E-03 ppm1 7.328 ppm2 4.470 CV 1
ASSI ! 1562!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
4.900 3.000 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.25368E-03 ppm1 7.326 ppm2 1.999 CV 1
ASSI ! 1564!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 67 and name HG2 ))
3.100 1.200 1.200 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.85227E-03 ppm1 7.325 ppm2 2.566 CV 1
ASSI ! 1565!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 67 and name HN ))
5.300 3.500 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.30898E-03 ppm1 7.326 ppm2 8.577 CV 1
ASSI ! 1566!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 94 and name HB1 ))
4.800 2.900 1.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.34617E-03 ppm1 7.329 ppm2 2.909 CV 1
ASSI ! 1567!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 114 and name HA2 ))
4.300 2.300 1.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.26599E-03 ppm1 7.327 ppm2 3.191 CV 1
ASSI ! 1570!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HB2 ))
4.300 2.300 1.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.75135E-03 ppm1 7.327 ppm2 1.693 CV 1
ASSI ! 1572!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HN ))
2.900 1.100 1.100 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.20568E-02 ppm1 7.331 ppm2 9.554 CV 1
ASSI ! 1574!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HB ))
3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.99514E-03 ppm1 7.328 ppm2 4.070 CV 1
ASSI ! 1577!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 117 and name HD22))
5.400 3.600 0.600 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.22037E-03 ppm1 7.327 ppm2 6.847 CV 1
ASSI ! 1578!
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 117 and name HN ))
4.700 2.700 1.300 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35462E-03 ppm1 7.332 ppm2 8.031 CV 1
ASSI ! 1579!
(( segid " " and resid 117 and name HD21))
(( segid " " and resid 65 and name HA ))
4.600 2.600 1.400 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.31343E-03 ppm1 8.258 ppm2 5.532 CV 1
ASSI ! 1580!
(( segid " " and resid 117 and name HD21))
(( segid " " and resid 65 and name HB2 ))
5.400 3.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.19095E-03 ppm1 8.268 ppm2 1.680 CV 1
ASSI ! 1587!
(( segid " " and resid 117 and name HD21))
(( segid " " and resid 117 and name HD22))
1.600 0.300 0.600 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.73466E-02 ppm1 8.265 ppm2 6.849 CV 1
ASSI ! 1588!
(( segid " " and resid 117 and name HD22))
(( segid " " and resid 65 and name HA ))
3.900 1.900 1.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.47076E-03 ppm1 6.851 ppm2 5.541 CV 1
ASSI ! 1589!
(( segid " " and resid 117 and name HD22))
(( segid " " and resid 65 and name HB2 ))
3.500 1.500 1.500 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.45378E-03 ppm1 6.846 ppm2 1.680 CV 1
ASSI ! 1590!
(( segid " " and resid 117 and name HD22))
( segid " " and resid 65 and name HD2#)
2.900 2.900 3.100 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.74147E-03 ppm1 6.849 ppm2 0.958 CV 1
ASSI ! 1591!
(( segid " " and resid 117 and name HD22))
(( segid " " and resid 65 and name HG ))
3.400 3.400 2.600 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.26002E-03 ppm1 6.849 ppm2 1.864 CV 1
ASSI ! 1599!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HA ))
2.500 0.800 0.800 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.42429E-02 ppm1 8.035 ppm2 3.572 CV 1
ASSI ! 1600!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HB ))
4.000 2.000 2.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 8.035 ppm2 4.068 CV 1
ASSI ! 1601!
(( segid " " and resid 117 and name HN ))
( segid " " and resid 116 and name HG2#)
3.700 1.700 1.700 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.13785E-02 ppm1 8.036 ppm2 0.870 CV 1
ASSI ! 1603!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HA ))
2.800 1.000 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.15753E-02 ppm1 8.035 ppm2 4.923 CV 1
ASSI ! 1606!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HD21))
4.300 2.300 1.700 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.43720E-03 ppm1 8.035 ppm2 8.263 CV 1
ASSI ! 1607!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HD22))
4.700 2.700 1.300 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.45349E-03 ppm1 8.031 ppm2 6.834 CV 1
ASSI ! 1609!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HA ))
4.800 2.900 1.200 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.41501E-03 ppm1 8.035 ppm2 4.112 CV 1
ASSI ! 1610!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HB1 ))
5.200 3.400 0.800 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.34889E-03 ppm1 8.040 ppm2 2.195 CV 1
ASSI ! 1611!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HB2 ))
4.600 2.600 1.400 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.49971E-03 ppm1 8.040 ppm2 1.791 CV 1
ASSI ! 1612!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HG1 ))
4.300 2.300 1.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.45598E-03 ppm1 8.035 ppm2 2.301 CV 1
ASSI ! 1613!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HG2 ))
4.100 2.100 1.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.67518E-03 ppm1 8.030 ppm2 2.117 CV 1
ASSI ! 1614!
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HN ))
2.300 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.53937E-02 ppm1 8.036 ppm2 8.365 CV 1
ASSI ! 1615!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 116 and name HA ))
4.200 2.200 1.800 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.10313E-02 ppm1 8.358 ppm2 3.575 CV 1
ASSI ! 1616!
(( segid " " and resid 118 and name HN ))
( segid " " and resid 116 and name HG2#)
2.400 0.700 0.700 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.56786E-02 ppm1 8.361 ppm2 0.870 CV 1
ASSI ! 1617!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HA ))
2.900 1.000 1.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 8.362 ppm2 4.921 CV 1
ASSI ! 1618!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HB1 ))
4.400 2.400 1.600 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.64486E-03 ppm1 8.361 ppm2 2.758 CV 1
ASSI ! 1619!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HB2 ))
3.900 1.900 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.80351E-03 ppm1 8.361 ppm2 2.589 CV 1
ASSI ! 1621!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HA ))
2.700 0.900 0.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.30459E-02 ppm1 8.363 ppm2 4.118 CV 1
ASSI ! 1622!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HB1 ))
3.300 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.21433E-02 ppm1 8.362 ppm2 2.196 CV 1
ASSI ! 1623!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HB2 ))
2.500 0.800 0.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.44838E-02 ppm1 8.360 ppm2 1.804 CV 1
ASSI ! 1624!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HG1 ))
3.000 1.100 1.100 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.21709E-02 ppm1 8.361 ppm2 2.296 CV 1
ASSI ! 1625!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HG2 ))
2.800 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 8.361 ppm2 2.118 CV 1
ASSI ! 1627!
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 119 and name HN ))
3.200 1.300 1.300 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.13445E-02 ppm1 8.361 ppm2 7.923 CV 1
ASSI ! 1628!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 68 and name HA ))
4.200 2.200 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.27712E-03 ppm1 7.920 ppm2 3.768 CV 1
ASSI ! 1629!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 68 and name HD22))
4.500 2.500 1.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.77494E-03 ppm1 7.922 ppm2 7.144 CV 1
ASSI ! 1630!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 68 and name HN ))
3.800 1.800 1.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.35698E-03 ppm1 7.910 ppm2 8.572 CV 1
ASSI ! 1631!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
3.000 3.000 3.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.54859E-03 ppm1 7.922 ppm2 1.542 CV 1
ASSI ! 1632!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 69 and name HG1 ))
3.600 1.700 1.700 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.48285E-03 ppm1 7.919 ppm2 1.050 CV 1
ASSI ! 1633!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 69 and name HG2 ))
4.500 2.500 1.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.43978E-03 ppm1 7.918 ppm2 0.963 CV 1
ASSI ! 1634!
(( segid " " and resid 119 and name HN ))
( segid " " and resid 116 and name HG2#)
3.900 1.900 1.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.60479E-03 ppm1 7.916 ppm2 0.868 CV 1
ASSI ! 1635!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HA ))
2.400 0.700 0.700 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.55067E-02 ppm1 7.920 ppm2 4.121 CV 1
ASSI ! 1636!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HB1 ))
2.900 2.900 3.100 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.50295E-02 ppm1 7.919 ppm2 2.198 CV 1
ASSI ! 1637!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HB2 ))
3.300 1.300 1.300 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.28830E-02 ppm1 7.919 ppm2 1.804 CV 1
ASSI ! 1638!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HG1 ))
3.900 1.900 1.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 7.918 ppm2 2.290 CV 1
ASSI ! 1639!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HG2 ))
3.700 1.700 1.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.17811E-02 ppm1 7.919 ppm2 2.130 CV 1
ASSI ! 1641!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HA ))
2.700 0.900 0.900 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.22803E-02 ppm1 7.920 ppm2 4.643 CV 1
ASSI ! 1642!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HB1 ))
3.200 1.300 1.300 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.30920E-02 ppm1 7.918 ppm2 2.927 CV 1
ASSI ! 1643!
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 119 and name HB2 ))
2.600 0.800 0.800 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.50482E-02 ppm1 7.920 ppm2 2.769 CV 1
ASSI ! 1645!
(( segid " " and resid 119 and name HN ))
( segid " " and resid 120 and name HB# )
5.100 3.300 0.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.33348E-03 ppm1 7.915 ppm2 1.261 CV 1
ASSI ! 1647!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
3.600 1.600 1.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.46727E-03 ppm1 8.281 ppm2 2.014 CV 1
ASSI ! 1648!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 68 and name HA ))
4.200 2.200 1.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 8.285 ppm2 3.761 CV 1
ASSI ! 1649!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 68 and name HD21))
4.600 2.700 1.400 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.28315E-03 ppm1 8.283 ppm2 7.847 CV 1
ASSI ! 1650!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 68 and name HD22))
3.400 1.500 1.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.283 ppm2 7.138 CV 1
ASSI ! 1651!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 68 and name HN ))
3.400 1.500 1.500 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.89709E-03 ppm1 8.284 ppm2 8.577 CV 1
ASSI ! 1652!
(( segid " " and resid 120 and name HN ))
( segid " " and resid 116 and name HG2#)
3.900 1.900 1.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.60670E-03 ppm1 8.285 ppm2 0.865 CV 1
ASSI ! 1653!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 116 and name HN ))
4.300 2.300 1.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.55175E-03 ppm1 8.282 ppm2 7.316 CV 1
ASSI ! 1654!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 119 and name HA ))
2.000 0.500 0.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11610E-01 ppm1 8.283 ppm2 4.639 CV 1
ASSI ! 1655!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 119 and name HB1 ))
3.500 1.500 1.500 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.24103E-02 ppm1 8.282 ppm2 2.920 CV 1
ASSI ! 1656!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 119 and name HB2 ))
4.100 2.100 1.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 8.284 ppm2 2.764 CV 1
ASSI ! 1657!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 119 and name HN ))
3.700 1.800 1.800 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.14351E-02 ppm1 8.281 ppm2 7.916 CV 1
ASSI ! 1658!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 120 and name HA ))
2.600 0.900 0.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.41049E-02 ppm1 8.282 ppm2 4.272 CV 1
ASSI ! 1659!
(( segid " " and resid 120 and name HN ))
( segid " " and resid 120 and name HB# )
2.300 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.10159E-01 ppm1 8.283 ppm2 1.261 CV 1
ASSI ! 1661!
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 121 and name HA ))
4.300 2.300 1.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.51047E-03 ppm1 8.283 ppm2 4.408 CV 1
ASSI ! 1663!
(( segid " " and resid 121 and name HN ))
( segid " " and resid 116 and name HG2#)
3.000 3.000 3.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.53846E-03 ppm1 7.556 ppm2 0.873 CV 1
ASSI ! 1664!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 119 and name HA ))
2.900 2.900 3.100 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.71214E-03 ppm1 7.554 ppm2 4.643 CV 1
ASSI ! 1665!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 119 and name HB2 ))
2.900 2.900 3.100 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.74491E-03 ppm1 7.553 ppm2 2.770 CV 1
ASSI ! 1666!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 120 and name HA ))
2.100 0.600 0.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.12747E-01 ppm1 7.556 ppm2 4.277 CV 1
ASSI ! 1667!
(( segid " " and resid 121 and name HN ))
( segid " " and resid 120 and name HB# )
3.400 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.42250E-02 ppm1 7.555 ppm2 1.262 CV 1
ASSI ! 1668!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 120 and name HN ))
3.400 1.400 1.400 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.28084E-02 ppm1 7.556 ppm2 8.287 CV 1
ASSI ! 1669!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 121 and name HA ))
2.600 0.800 0.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.52816E-02 ppm1 7.556 ppm2 4.409 CV 1
ASSI ! 1670!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 121 and name HB1 ))
3.100 1.200 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.22815E-02 ppm1 7.555 ppm2 3.084 CV 1
ASSI ! 1671!
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 121 and name HB2 ))
2.600 0.800 0.800 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.53460E-02 ppm1 7.556 ppm2 2.894 CV 1
ASSI ! 3!
(( segid " " and resid 35 and name HG1 ) or ( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 41 and name HN ))
4.500 2.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.74487E-03 ppm1 1.950 ppm2 8.031 CV 1
! New unambiguous restraint HD1# Leu38 - (HD# Tyr 71) found by Aria1.2, but assignment seems to be wrong: distance is too high
! ASSI ! 7!
! ( segid " " and resid 38 and name HD1#)
! ( segid " " and resid 71 and name HD# )
! 5.100 3.300 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.40609E-03 ppm1 0.845 ppm2 6.903 CV 1
ASSI ! 8!
( segid " " and resid 38 and name HD1#)
( segid " " and resid 72 and name HE# )
4.000 2.000 2.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.63697E-03 ppm1 0.842 ppm2 6.816 CV 1
! New unambiguous restraint HD1# Leu38 - (HB# Glu88) found by Aria1.2, but assignment seems to be wrong: distance is too high
! ASSI ! 9!
! ( segid " " and resid 38 and name HD1#)
! (( segid " " and resid 88 and name HB1 ) or ( segid " " and resid 88 and name HB2 ))
! 4.200 2.200 1.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.19343E-02 ppm1 0.851 ppm2 1.966 CV 1
ASSI ! 11!
(( segid " " and resid 41 and name HB1 ))
( segid " " and resid 41 and name HD1#)
2.800 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.41914E-02 ppm1 1.749 ppm2 0.814 CV 1
ASSI ! 12!
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 41 and name HD1#)
2.100 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.79371E-02 ppm1 1.429 ppm2 0.814 CV 1
ASSI ! 13!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 47 and name HN ))
4.700 2.800 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.47500E-03 ppm1 4.046 ppm2 7.434 CV 1
ASSI ! 20!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 50 and name HN ))
4.400 2.400 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.43309E-03 ppm1 3.871 ppm2 7.329 CV 1
ASSI ! 21!
(( segid " " and resid 48 and name HA ))
( segid " " and resid 110 and name HD1#)
4.800 2.900 1.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.61172E-03 ppm1 4.178 ppm2 1.025 CV 1
ASSI ! 23!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 46 and name HA ))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.86178E-03 ppm1 0.594 ppm2 3.863 CV 1
ASSI ! 24!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 98 and name HE# ) or ( segid " " and resid 98 and name HZ ))
2.500 0.800 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.32973E-02 ppm1 0.597 ppm2 7.008 CV 1
ASSI ! 28!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 56 and name HA ))
4.200 2.200 1.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.15322E-02 ppm1 0.244 ppm2 4.149 CV 1
ASSI ! 29!
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 53 and name HN ))
4.900 3.000 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.28232E-03 ppm1 4.993 ppm2 7.134 CV 1
ASSI ! 35!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 46 and name HA ))
4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.57879E-03 ppm1 2.000 ppm2 3.856 CV 1
ASSI ! 38!
( segid " " and resid 64 and name HG2#)
( segid " " and resid 41 and name HD1#)
2.200 0.600 0.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16804E-01 ppm1 0.682 ppm2 0.814 CV 1
! Aria1.2 generated unambigious restraint HG2# Ile64 - HD22 Asn117 seems to be wrong; aromatic signal at 6.837 ppm ?
! ASSI ! 40!
! ( segid " " and resid 64 and name HG2#)
! (( segid " " and resid 117 and name HD22))
! 4.400 2.400 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.72598E-03 ppm1 0.679 ppm2 6.837 CV 1
ASSI ! 45!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 114 and name HA1 ))
3.600 1.700 1.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.55200E-03 ppm1 2.646 ppm2 4.061 CV 1
ASSI ! 46!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 114 and name HA1 ))
3.600 1.600 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.67792E-03 ppm1 2.556 ppm2 4.061 CV 1
ASSI ! 47!
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HB2 ))
5.100 3.200 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.57418E-03 ppm1 4.435 ppm2 3.060 CV 1
ASSI ! 48!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 61 and name HB2 ))
4.300 2.300 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.50312E-03 ppm1 1.839 ppm2 1.084 CV 1
ASSI ! 49!
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
4.700 2.800 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.91519E-03 ppm1 4.537 ppm2 0.920 CV 1
ASSI ! 52!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 36 and name HA ) or ( segid " " and resid 36 and name HB ))
4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 1.151 ppm2 4.448 CV 1
ASSI ! 55!
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 67 and name HN ))
4.600 2.600 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.79675E-03 ppm1 3.905 ppm2 8.588 CV 1
ASSI ! 59!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 62 and name HN ))
4.700 2.700 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.61920E-03 ppm1 0.648 ppm2 9.047 CV 1
ASSI ! 63!
(( segid " " and resid 100 and name HE1 ))
( segid " " and resid 59 and name HD# )
4.200 2.200 1.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.48908E-03 ppm1 3.065 ppm2 7.158 CV 1
ASSI ! 64!
(( segid " " and resid 100 and name HE2 ))
( segid " " and resid 59 and name HD# )
3.400 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.94410E-03 ppm1 2.718 ppm2 7.164 CV 1
ASSI ! 65!
(( segid " " and resid 92 and name HG1 ))
(( segid " " and resid 114 and name HN ))
4.900 3.000 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.49880E-03 ppm1 1.572 ppm2 8.945 CV 1
ASSI ! 66!
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 114 and name HN ))
4.600 2.600 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.39136E-03 ppm1 1.444 ppm2 8.948 CV 1
ASSI ! 68!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 111 and name HN ))
5.300 3.500 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.48684E-03 ppm1 0.325 ppm2 8.948 CV 1
ASSI ! 71!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 45 and name HA ))
4.000 2.000 2.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.61459E-03 ppm1 0.814 ppm2 3.815 CV 1
ASSI ! 74!
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
2.900 2.900 3.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.68793E-03 ppm1 4.121 ppm2 2.835 CV 1
ASSI ! 75!
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
3.300 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.25172E-02 ppm1 4.109 ppm2 1.531 CV 1
ASSI ! 76!
(( segid " " and resid 33 and name HA2 ) or ( segid " " and resid 33 and name HA1 ))
(( segid " " and resid 33 and name HN ))
3.600 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.92869E-03 ppm1 3.974 ppm2 8.510 CV 1
ASSI ! 78!
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HA ))
2.700 0.900 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.26550E-02 ppm1 1.644 ppm2 4.601 CV 1
ASSI ! 79!
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.39062E-02 ppm1 1.524 ppm2 4.598 CV 1
ASSI ! 80!
(( segid " " and resid 34 and name HD1#))
(( segid " " and resid 34 and name HA ))
3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11023E-02 ppm1 0.967 ppm2 4.601 CV 1
ASSI ! 81!
(( segid " " and resid 34 and name HD2#))
(( segid " " and resid 34 and name HA ))
2.700 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.65359E-02 ppm1 0.926 ppm2 4.595 CV 1
ASSI ! 82!
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HA ))
3.100 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.15175E-02 ppm1 1.701 ppm2 4.607 CV 1
ASSI ! 83!
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 34 and name HA ))
1.900 0.400 0.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13786E-01 ppm1 3.869 ppm2 4.601 CV 1
ASSI ! 84!
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 34 and name HA ))
2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.91706E-02 ppm1 3.566 ppm2 4.598 CV 1
ASSI ! 87!
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 34 and name HB1 ))
3.100 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.12635E-02 ppm1 3.566 ppm2 1.645 CV 1
ASSI ! 89!
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 34 and name HB2 ))
4.500 2.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 3.863 ppm2 1.519 CV 1
ASSI ! 90!
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.33610E-02 ppm1 3.569 ppm2 1.516 CV 1
ASSI ! 93!
(( segid " " and resid 35 and name HD2 ))
( segid " " and resid 34 and name HD2#)
3.400 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.25660E-02 ppm1 3.572 ppm2 0.928 CV 1
ASSI ! 95!
(( segid " " and resid 33 and name HA2 ) or ( segid " " and resid 33 and name HA1 ))
(( segid " " and resid 34 and name HN ))
2.600 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.67826E-02 ppm1 3.974 ppm2 8.144 CV 1
ASSI ! 96!
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 4.600 ppm2 8.141 CV 1
ASSI ! 98!
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 1.522 ppm2 8.147 CV 1
ASSI ! 100!
( segid " " and resid 34 and name HD2#)
(( segid " " and resid 34 and name HN ))
4.700 2.700 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.64694E-03 ppm1 0.923 ppm2 8.150 CV 1
ASSI ! 101!
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21149E-02 ppm1 1.698 ppm2 8.141 CV 1
ASSI ! 105!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HA ))
2.200 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.74354E-02 ppm1 2.235 ppm2 4.550 CV 1
ASSI ! 106!
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.56932E-02 ppm1 1.815 ppm2 4.547 CV 1
ASSI ! 107!
(( segid " " and resid 35 and name HG2 ) or ( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HA ))
3.500 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.26991E-02 ppm1 1.950 ppm2 4.559 CV 1
ASSI ! 108!
( segid " " and resid 36 and name HG2#)
(( segid " " and resid 35 and name HA ))
3.800 1.800 1.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.19676E-02 ppm1 1.199 ppm2 4.535 CV 1
ASSI ! 111!
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HB1 ))
1.600 0.300 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.17276E-01 ppm1 1.821 ppm2 2.229 CV 1
ASSI ! 116!
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 35 and name HB2 ))
4.000 2.000 2.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 3.872 ppm2 1.825 CV 1
ASSI ! 117!
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HB2 ))
3.300 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 3.572 ppm2 1.831 CV 1
ASSI ! 119!
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 35 and name HD1 ))
3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.15387E-02 ppm1 1.644 ppm2 3.863 CV 1
ASSI ! 121!
( segid " " and resid 34 and name HD2#)
(( segid " " and resid 35 and name HD1 ))
3.900 1.900 1.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.22725E-02 ppm1 0.926 ppm2 3.860 CV 1
ASSI ! 122!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HD1 ))
3.800 1.800 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 2.232 ppm2 3.860 CV 1
ASSI ! 125!
(( segid " " and resid 35 and name HG2 ) or ( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HD1 ))
2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.78179E-02 ppm1 1.950 ppm2 3.869 CV 1
ASSI ! 130!
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 35 and name HD2 ))
4.600 2.600 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 1.701 ppm2 3.566 CV 1
ASSI ! 131!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HD2 ))
4.600 2.600 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.70612E-03 ppm1 2.232 ppm2 3.569 CV 1
ASSI ! 134!
(( segid " " and resid 35 and name HG1 ) or ( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HD2 ))
2.400 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.67859E-02 ppm1 1.950 ppm2 3.569 CV 1
ASSI ! 135!
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HG2 ) or ( segid " " and resid 35 and name HG1 ))
4.800 2.900 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 4.597 ppm2 1.951 CV 1
ASSI ! 137!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HG2 ) or ( segid " " and resid 35 and name HG1 ))
2.200 0.600 0.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10693E-01 ppm1 2.229 ppm2 1.954 CV 1
ASSI ! 141!
( segid " " and resid 36 and name HG2#)
(( segid " " and resid 36 and name HB ))
2.000 0.500 0.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25860E-01 ppm1 1.199 ppm2 4.445 CV 1
ASSI ! 143!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 36 and name HB ))
4.700 2.800 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.92661E-03 ppm1 1.761 ppm2 4.445 CV 1
ASSI ! 144!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 36 and name HB ))
3.900 1.900 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.47442E-03 ppm1 1.542 ppm2 4.448 CV 1
ASSI ! 145!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 36 and name HB ))
3.400 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.26548E-02 ppm1 0.640 ppm2 4.439 CV 1
ASSI ! 146!
(( segid " " and resid 89 and name HG ))
(( segid " " and resid 36 and name HB ))
4.400 2.400 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.41565E-03 ppm1 1.309 ppm2 4.451 CV 1
ASSI ! 148!
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HG2#)
2.700 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.49257E-02 ppm1 4.447 ppm2 1.200 CV 1
ASSI ! 150!
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 4.551 ppm2 8.448 CV 1
ASSI ! 151!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 36 and name HN ))
4.400 2.400 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.42263E-03 ppm1 2.238 ppm2 8.447 CV 1
ASSI ! 152!
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.400 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.86129E-03 ppm1 1.815 ppm2 8.444 CV 1
ASSI ! 153!
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.49012E-03 ppm1 4.446 ppm2 8.443 CV 1
ASSI ! 154!
( segid " " and resid 36 and name HG2#)
(( segid " " and resid 36 and name HN ))
3.900 1.900 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 1.196 ppm2 8.453 CV 1
ASSI ! 156!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.79920E-02 ppm1 1.145 ppm2 5.230 CV 1
ASSI ! 157!
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 37 and name HA ))
6.000 5.100 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.32747E-03 ppm1 2.151 ppm2 5.230 CV 1
ASSI ! 158!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 37 and name HA ))
4.900 3.000 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.58082E-03 ppm1 1.021 ppm2 5.227 CV 1
ASSI ! 159!
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 37 and name HA ))
2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.42765E-02 ppm1 4.338 ppm2 5.231 CV 1
ASSI ! 160!
(( segid " " and resid 88 and name HB2 ) or ( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 37 and name HA ))
4.400 2.400 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 1.974 ppm2 5.239 CV 1
ASSI ! 161!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 37 and name HA ))
4.000 2.000 2.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.60470E-03 ppm1 0.640 ppm2 5.242 CV 1
ASSI ! 162!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 37 and name HA ))
4.300 2.300 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.86764E-03 ppm1 0.234 ppm2 5.227 CV 1
ASSI ! 164!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB ))
2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.31741E-02 ppm1 5.232 ppm2 4.499 CV 1
ASSI ! 166!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 37 and name HB ))
2.200 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10409E-01 ppm1 1.142 ppm2 4.502 CV 1
ASSI ! 167!
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 37 and name HB ))
5.900 4.400 0.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.28327E-03 ppm1 2.154 ppm2 4.505 CV 1
ASSI ! 173!
(( segid " " and resid 88 and name HB2 ) or ( segid " " and resid 88 and name HB1 ))
( segid " " and resid 37 and name HG2#)
4.000 2.000 2.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 1.974 ppm2 1.150 CV 1
ASSI ! 174!
(( segid " " and resid 88 and name HG1 ))
( segid " " and resid 37 and name HG2#)
4.000 2.000 2.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.98792E-03 ppm1 2.367 ppm2 1.138 CV 1
ASSI ! 175!
(( segid " " and resid 88 and name HG2 ))
( segid " " and resid 37 and name HG2#)
3.300 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16245E-02 ppm1 2.229 ppm2 1.141 CV 1
ASSI ! 176!
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HN ))
4.500 2.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.63120E-03 ppm1 4.547 ppm2 7.300 CV 1
ASSI ! 177!
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 37 and name HN ))
4.000 2.000 2.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.87507E-03 ppm1 2.238 ppm2 7.305 CV 1
ASSI ! 178!
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.48746E-02 ppm1 1.818 ppm2 7.305 CV 1
ASSI ! 179!
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.41383E-02 ppm1 4.447 ppm2 7.300 CV 1
ASSI ! 180!
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 37 and name HN ))
4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.86378E-03 ppm1 4.435 ppm2 7.302 CV 1
ASSI ! 181!
( segid " " and resid 36 and name HG2#)
(( segid " " and resid 37 and name HN ))
3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 1.196 ppm2 7.302 CV 1
ASSI ! 182!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15878E-02 ppm1 5.236 ppm2 7.299 CV 1
ASSI ! 184!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 37 and name HN ))
2.700 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.47018E-02 ppm1 1.148 ppm2 7.305 CV 1
ASSI ! 185!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 37 and name HN ))
3.700 1.700 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.71489E-03 ppm1 0.640 ppm2 7.311 CV 1
ASSI ! 187!
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 38 and name HA ))
2.600 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18816E-02 ppm1 2.151 ppm2 3.827 CV 1
ASSI ! 188!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.700 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.25641E-02 ppm1 1.012 ppm2 3.827 CV 1
ASSI ! 189!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 38 and name HA ))
2.000 0.500 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.95648E-02 ppm1 0.489 ppm2 3.833 CV 1
ASSI ! 191!
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 1.749 ppm2 3.830 CV 1
ASSI ! 192!
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 38 and name HA ))
3.900 1.900 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 1.441 ppm2 3.824 CV 1
ASSI ! 193!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 38 and name HA ))
3.200 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.18047E-02 ppm1 0.646 ppm2 3.830 CV 1
ASSI ! 194!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 38 and name HA ))
2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.53597E-02 ppm1 0.228 ppm2 3.833 CV 1
ASSI ! 196!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB1 ))
1.600 0.300 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.66621E-02 ppm1 1.009 ppm2 2.154 CV 1
ASSI ! 197!
( segid " " and resid 38 and name HD1#)
(( segid " " and resid 38 and name HB1 ))
2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.61936E-02 ppm1 0.848 ppm2 2.157 CV 1
ASSI ! 198!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 38 and name HB1 ))
2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.23306E-02 ppm1 0.489 ppm2 2.154 CV 1
ASSI ! 199!
(( segid " " and resid 38 and name HG ))
(( segid " " and resid 38 and name HB1 ))
2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.22263E-02 ppm1 1.417 ppm2 2.151 CV 1
ASSI ! 200!
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 38 and name HB1 ))
4.700 2.800 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.37057E-03 ppm1 3.549 ppm2 2.158 CV 1
ASSI ! 205!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 38 and name HB2 ))
3.000 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.49078E-02 ppm1 0.481 ppm2 1.012 CV 1
ASSI ! 206!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 38 and name HB2 ))
3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.44298E-02 ppm1 0.231 ppm2 1.006 CV 1
ASSI ! 208!
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 38 and name HD1#)
2.500 0.800 0.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 1.015 ppm2 0.844 CV 1
ASSI ! 209!
( segid " " and resid 38 and name HD2#)
( segid " " and resid 38 and name HD1#)
2.100 0.500 0.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13298E-01 ppm1 0.489 ppm2 0.841 CV 1
ASSI ! 211!
(( segid " " and resid 84 and name HB1 ))
( segid " " and resid 38 and name HD1#)
2.700 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.25690E-02 ppm1 2.187 ppm2 0.841 CV 1
ASSI ! 212!
(( segid " " and resid 84 and name HB2 ))
( segid " " and resid 38 and name HD1#)
4.400 2.400 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 1.731 ppm2 0.838 CV 1
ASSI ! 214!
( segid " " and resid 89 and name HD2#)
( segid " " and resid 38 and name HD1#)
3.400 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.28792E-02 ppm1 0.228 ppm2 0.834 CV 1
ASSI ! 220!
(( segid " " and resid 41 and name HB1 ))
( segid " " and resid 38 and name HD2#)
3.700 1.700 1.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.65467E-03 ppm1 1.755 ppm2 0.493 CV 1
ASSI ! 221!
(( segid " " and resid 41 and name HB2 ))
( segid " " and resid 38 and name HD2#)
5.100 3.300 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.53684E-03 ppm1 1.426 ppm2 0.499 CV 1
ASSI ! 222!
( segid " " and resid 41 and name HD1#)
( segid " " and resid 38 and name HD2#)
3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 0.817 ppm2 0.490 CV 1
ASSI ! 224!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 38 and name HD2#)
2.100 0.500 0.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10106E-01 ppm1 0.613 ppm2 0.502 CV 1
ASSI ! 225!
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG ))
2.700 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 3.836 ppm2 1.423 CV 1
ASSI ! 227!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG ))
2.500 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.17973E-02 ppm1 1.018 ppm2 1.411 CV 1
ASSI ! 228!
( segid " " and resid 38 and name HD1#)
(( segid " " and resid 38 and name HG ))
2.100 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.64088E-02 ppm1 0.839 ppm2 1.414 CV 1
ASSI ! 229!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 38 and name HG ))
2.000 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.84210E-02 ppm1 0.486 ppm2 1.423 CV 1
ASSI ! 230!
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 38 and name HG ))
4.800 2.900 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.38512E-03 ppm1 2.448 ppm2 1.414 CV 1
ASSI ! 231!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 38 and name HG ))
2.500 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.15755E-02 ppm1 0.228 ppm2 1.423 CV 1
ASSI ! 232!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.000 0.500 0.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.65828E-02 ppm1 5.230 ppm2 9.068 CV 1
ASSI ! 234!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 38 and name HN ))
3.700 1.800 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.31004E-02 ppm1 1.145 ppm2 9.068 CV 1
ASSI ! 236!
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 38 and name HN ))
3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.38694E-02 ppm1 2.154 ppm2 9.062 CV 1
ASSI ! 239!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 38 and name HN ))
3.900 1.900 1.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 0.492 ppm2 9.044 CV 1
ASSI ! 240!
(( segid " " and resid 38 and name HG ))
(( segid " " and resid 38 and name HN ))
2.900 1.000 1.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.85057E-03 ppm1 1.426 ppm2 9.080 CV 1
ASSI ! 242!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 1.148 ppm2 9.062 CV 1
ASSI ! 249!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 39 and name HA1 ))
3.700 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.25781E-02 ppm1 0.703 ppm2 3.971 CV 1
ASSI ! 250!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 39 and name HA1 ))
5.400 3.700 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45261E-03 ppm1 0.919 ppm2 3.977 CV 1
ASSI ! 251!
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 39 and name HA1 ))
2.200 0.600 0.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 3.554 ppm2 3.969 CV 1
ASSI ! 252!
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 39 and name HA1 ))
3.800 1.800 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 1.839 ppm2 3.968 CV 1
ASSI ! 253!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 39 and name HA1 ))
5.100 3.200 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.47006E-03 ppm1 1.647 ppm2 3.974 CV 1
ASSI ! 254!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 39 and name HA1 ))
3.400 1.500 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 1.324 ppm2 3.974 CV 1
ASSI ! 257!
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 39 and name HA2 ))
4.200 2.200 1.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.63054E-03 ppm1 2.460 ppm2 3.767 CV 1
ASSI ! 258!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 39 and name HA2 ))
2.300 0.700 0.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.42346E-02 ppm1 0.706 ppm2 3.764 CV 1
ASSI ! 259!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 39 and name HA2 ))
4.500 2.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.55565E-03 ppm1 0.911 ppm2 3.776 CV 1
ASSI ! 264!
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.72876E-03 ppm1 3.821 ppm2 8.744 CV 1
ASSI ! 268!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 39 and name HN ))
4.800 2.800 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.66646E-03 ppm1 0.486 ppm2 8.756 CV 1
ASSI ! 274!
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 39 and name HN ))
4.600 2.600 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 1.842 ppm2 8.747 CV 1
ASSI ! 275!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 39 and name HN ))
5.300 3.500 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.46362E-03 ppm1 1.647 ppm2 8.741 CV 1
ASSI ! 277!
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 39 and name HN ))
4.500 2.600 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.43176E-03 ppm1 4.885 ppm2 8.753 CV 1
ASSI ! 278!
(( segid " " and resid 40 and name HB1 ) or ( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.60134E-02 ppm1 1.818 ppm2 4.241 CV 1
ASSI ! 279!
(( segid " " and resid 40 and name HG1 ))
(( segid " " and resid 40 and name HA ))
3.600 1.700 1.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.18040E-02 ppm1 1.539 ppm2 4.241 CV 1
ASSI ! 280!
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HA ))
2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.32417E-02 ppm1 1.441 ppm2 4.238 CV 1
ASSI ! 281!
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14161E-02 ppm1 2.163 ppm2 4.238 CV 1
ASSI ! 282!
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 40 and name HA ))
3.100 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 2.097 ppm2 4.238 CV 1
ASSI ! 284!
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 40 and name HB2 ) or ( segid " " and resid 40 and name HB1 ))
3.300 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.21094E-02 ppm1 4.067 ppm2 1.822 CV 1
ASSI ! 285!
(( segid " " and resid 40 and name HB1 ) or ( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HE1 ) or ( segid " " and resid 40 and name HE2 ))
4.000 2.000 2.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 1.815 ppm2 2.994 CV 1
ASSI ! 288!
(( segid " " and resid 39 and name HA1 ))
(( segid " " and resid 40 and name HN ))
2.800 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.17578E-02 ppm1 3.965 ppm2 7.347 CV 1
ASSI ! 292!
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HA ))
3.300 1.400 1.400 peak 292 spectrum 1 weight 0.10000E+01 volume 0.15849E-02 ppm1 1.758 ppm2 4.058 CV 1
ASSI ! 293!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 41 and name HA ))
4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 0.814 ppm2 4.061 CV 1
ASSI ! 294!
( segid " " and resid 41 and name HD2#)
(( segid " " and resid 41 and name HA ))
2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.98252E-02 ppm1 0.914 ppm2 4.061 CV 1
ASSI ! 296!
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 41 and name HA ))
3.400 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.96092E-03 ppm1 1.866 ppm2 4.055 CV 1
ASSI ! 297!
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 41 and name HA ))
3.100 1.200 1.200 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 1.620 ppm2 4.055 CV 1
ASSI ! 300!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 41 and name HB1 ))
2.900 1.100 1.100 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36750E-02 ppm1 0.231 ppm2 1.756 CV 1
ASSI ! 301!
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 4.058 ppm2 1.426 CV 1
ASSI ! 303!
( segid " " and resid 41 and name HD2#)
(( segid " " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10688E-01 ppm1 0.911 ppm2 1.438 CV 1
ASSI ! 306!
(( segid " " and resid 44 and name HB2 ))
( segid " " and resid 41 and name HD1#)
5.100 3.200 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.38607E-03 ppm1 1.629 ppm2 0.820 CV 1
ASSI ! 308!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
( segid " " and resid 41 and name HD1#)
3.000 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.28659E-02 ppm1 2.430 ppm2 0.814 CV 1
ASSI ! 310!
(( segid " " and resid 41 and name HB1 ))
( segid " " and resid 41 and name HD2#)
2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.37687E-02 ppm1 1.746 ppm2 0.922 CV 1
ASSI ! 312!
(( segid " " and resid 44 and name HB1 ))
( segid " " and resid 41 and name HD2#)
3.900 1.900 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 1.863 ppm2 0.919 CV 1
ASSI ! 313!
(( segid " " and resid 44 and name HB2 ))
( segid " " and resid 41 and name HD2#)
4.100 2.100 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15254E-02 ppm1 1.626 ppm2 0.916 CV 1
ASSI ! 314!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
( segid " " and resid 41 and name HD2#)
2.900 1.100 1.100 peak 314 spectrum 1 weight 0.10000E+01 volume 0.17310E-02 ppm1 2.433 ppm2 0.922 CV 1
ASSI ! 315!
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HG ))
2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.22445E-02 ppm1 4.064 ppm2 1.624 CV 1
ASSI ! 316!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 41 and name HG ))
2.400 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 0.820 ppm2 1.621 CV 1
ASSI ! 317!
( segid " " and resid 41 and name HD2#)
(( segid " " and resid 41 and name HG ))
2.000 0.500 0.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.97205E-02 ppm1 0.911 ppm2 1.618 CV 1
ASSI ! 319!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 41 and name HN ))
5.000 3.100 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.60869E-03 ppm1 0.486 ppm2 8.037 CV 1
ASSI ! 320!
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
3.400 1.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 4.251 ppm2 8.031 CV 1
ASSI ! 321!
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.800 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25551E-02 ppm1 4.066 ppm2 8.033 CV 1
ASSI ! 322!
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.38766E-02 ppm1 1.755 ppm2 8.037 CV 1
ASSI ! 328!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 42 and name HA ))
4.400 2.400 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.67950E-03 ppm1 0.495 ppm2 4.055 CV 1
ASSI ! 330!
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HA ))
3.300 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 2.709 ppm2 4.040 CV 1
ASSI ! 333!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 42 and name HA ))
3.000 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 0.943 ppm2 4.046 CV 1
ASSI ! 334!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 42 and name HA ))
2.300 0.600 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.68037E-02 ppm1 1.999 ppm2 4.044 CV 1
ASSI ! 335!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 42 and name HA ))
4.300 2.300 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.52741E-03 ppm1 0.616 ppm2 4.043 CV 1
ASSI ! 336!
(( segid " " and resid 39 and name HA1 ))
(( segid " " and resid 42 and name HB1 ))
4.600 2.600 1.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.49115E-03 ppm1 3.974 ppm2 2.706 CV 1
ASSI ! 337!
(( segid " " and resid 39 and name HA2 ))
(( segid " " and resid 42 and name HB1 ))
3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.92192E-03 ppm1 3.770 ppm2 2.709 CV 1
ASSI ! 340!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 42 and name HB1 ))
2.900 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 0.703 ppm2 2.706 CV 1
ASSI ! 341!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 42 and name HB2 ))
3.400 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.82216E-03 ppm1 0.489 ppm2 2.445 CV 1
ASSI ! 343!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.36099E-02 ppm1 4.046 ppm2 2.454 CV 1
ASSI ! 345!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 42 and name HB2 ))
3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18416E-02 ppm1 0.706 ppm2 2.460 CV 1
ASSI ! 346!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 42 and name HB2 ))
2.800 2.800 3.200 peak 346 spectrum 1 weight 0.10000E+01 volume 0.85651E-03 ppm1 0.914 ppm2 2.460 CV 1
ASSI ! 347!
(( segid " " and resid 38 and name HG ))
(( segid " " and resid 42 and name HN ))
4.600 2.700 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.58473E-03 ppm1 1.429 ppm2 9.026 CV 1
ASSI ! 351!
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 42 and name HN ))
2.400 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.25248E-02 ppm1 1.752 ppm2 9.023 CV 1
ASSI ! 355!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
2.600 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 4.052 ppm2 9.020 CV 1
ASSI ! 358!
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 42 and name HN ))
5.600 3.900 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.24796E-03 ppm1 2.172 ppm2 9.026 CV 1
ASSI ! 359!
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 42 and name HN ))
5.200 3.400 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.40986E-03 ppm1 2.094 ppm2 9.029 CV 1
ASSI ! 360!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 42 and name HN ))
3.100 3.100 2.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.47076E-03 ppm1 0.940 ppm2 9.026 CV 1
ASSI ! 361!
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HA ))
2.900 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.56861E-02 ppm1 2.169 ppm2 3.866 CV 1
ASSI ! 362!
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
2.500 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.41128E-02 ppm1 2.094 ppm2 3.863 CV 1
ASSI ! 363!
(( segid " " and resid 43 and name HG1 ))
(( segid " " and resid 43 and name HA ))
2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.46927E-02 ppm1 2.397 ppm2 3.863 CV 1
ASSI ! 368!
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HG1 ))
2.500 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11204E-01 ppm1 2.172 ppm2 2.397 CV 1
ASSI ! 369!
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HG1 ))
2.200 0.600 0.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.98837E-02 ppm1 2.094 ppm2 2.388 CV 1
ASSI ! 370!
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HG2 ))
4.100 2.100 1.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 4.238 ppm2 2.172 CV 1
ASSI ! 371!
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG2 ))
2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.71900E-02 ppm1 3.869 ppm2 2.169 CV 1
ASSI ! 372!
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HN ))
3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.16955E-02 ppm1 4.241 ppm2 7.255 CV 1
ASSI ! 373!
( segid " " and resid 41 and name HD2#)
(( segid " " and resid 43 and name HN ))
4.000 2.000 2.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 0.914 ppm2 7.233 CV 1
ASSI ! 374!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
3.300 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 4.040 ppm2 7.251 CV 1
ASSI ! 378!
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HN ))
2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.81548E-02 ppm1 2.160 ppm2 7.254 CV 1
ASSI ! 379!
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.85742E-02 ppm1 2.091 ppm2 7.251 CV 1
ASSI ! 380!
(( segid " " and resid 43 and name HG1 ))
(( segid " " and resid 43 and name HN ))
3.900 1.900 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.30558E-02 ppm1 2.400 ppm2 7.254 CV 1
ASSI ! 381!
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HN ))
3.600 1.600 1.600 peak 381 spectrum 1 weight 0.10000E+01 volume 0.54307E-02 ppm1 2.169 ppm2 7.251 CV 1
ASSI ! 383!
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.39269E-02 ppm1 1.866 ppm2 3.920 CV 1
ASSI ! 384!
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.26089E-02 ppm1 1.629 ppm2 3.914 CV 1
ASSI ! 385!
(( segid " " and resid 44 and name HD1 ))
(( segid " " and resid 44 and name HA ))
3.200 1.300 1.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.19240E-02 ppm1 3.137 ppm2 3.920 CV 1
ASSI ! 386!
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HA ))
4.000 2.000 2.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.89065E-03 ppm1 3.012 ppm2 3.914 CV 1
ASSI ! 387!
(( segid " " and resid 44 and name HG1 ))
(( segid " " and resid 44 and name HA ))
3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.22509E-02 ppm1 1.345 ppm2 3.923 CV 1
ASSI ! 388!
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HA ))
3.200 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14314E-02 ppm1 1.204 ppm2 3.920 CV 1
ASSI ! 389!
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 44 and name HA ))
3.700 1.700 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.31581E-02 ppm1 2.964 ppm2 3.920 CV 1
ASSI ! 390!
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.600 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26103E-02 ppm1 2.865 ppm2 3.920 CV 1
ASSI ! 392!
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HB1 ))
1.600 0.300 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.10895E-01 ppm1 1.623 ppm2 1.861 CV 1
ASSI ! 393!
(( segid " " and resid 44 and name HD1 ))
(( segid " " and resid 44 and name HB1 ))
3.700 1.700 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.94510E-03 ppm1 3.143 ppm2 1.861 CV 1
ASSI ! 394!
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB1 ))
3.500 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.88596E-03 ppm1 3.012 ppm2 1.867 CV 1
! ASSI ! 395!
! ( segid " " and resid 45 and name HD2#)
! (( segid " " and resid 44 and name HB1 ))
! 1.900 0.400 0.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.15335E-01 ppm1 0.911 ppm2 1.867 CV 1
ASSI ! 398!
(( segid " " and resid 44 and name HD1 ))
(( segid " " and resid 44 and name HB2 ))
3.800 1.800 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 3.143 ppm2 1.630 CV 1
ASSI ! 399!
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB2 ))
3.600 1.600 1.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 3.009 ppm2 1.630 CV 1
ASSI ! 405!
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HD1 ))
2.900 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.24704E-02 ppm1 1.204 ppm2 3.144 CV 1
ASSI ! 409!
(( segid " " and resid 44 and name HG1 ))
(( segid " " and resid 44 and name HD2 ))
2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.29368E-02 ppm1 1.345 ppm2 3.006 CV 1
ASSI ! 412!
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HG1 ))
2.900 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23579E-02 ppm1 1.857 ppm2 1.342 CV 1
ASSI ! 413!
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HG1 ))
2.600 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.35177E-02 ppm1 1.629 ppm2 1.339 CV 1
ASSI ! 414!
(( segid " " and resid 44 and name HD1 ))
(( segid " " and resid 44 and name HG1 ))
2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.25020E-02 ppm1 3.143 ppm2 1.336 CV 1
ASSI ! 418!
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HG2 ))
2.900 1.100 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.18573E-02 ppm1 1.857 ppm2 1.213 CV 1
ASSI ! 419!
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HG2 ))
2.900 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.23081E-02 ppm1 1.623 ppm2 1.210 CV 1
ASSI ! 421!
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG2 ))
2.800 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 3.015 ppm2 1.207 CV 1
ASSI ! 424!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 44 and name HN ))
5.500 3.700 0.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.34908E-03 ppm1 0.820 ppm2 7.239 CV 1
ASSI ! 428!
(( segid " " and resid 44 and name HD1 ))
(( segid " " and resid 44 and name HN ))
5.000 3.100 1.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.62730E-03 ppm1 3.137 ppm2 7.233 CV 1
ASSI ! 429!
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HN ))
5.500 3.700 0.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.38841E-03 ppm1 3.018 ppm2 7.233 CV 1
ASSI ! 430!
(( segid " " and resid 44 and name HG1 ))
(( segid " " and resid 44 and name HN ))
4.100 2.100 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 1.342 ppm2 7.233 CV 1
ASSI ! 432!
(( segid " " and resid 45 and name HG ))
(( segid " " and resid 44 and name HN ))
4.800 2.900 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.28574E-03 ppm1 1.809 ppm2 7.236 CV 1
ASSI ! 434!
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 45 and name HA ))
2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.15272E-02 ppm1 1.926 ppm2 3.812 CV 1
ASSI ! 435!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 45 and name HA ))
4.200 2.200 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 0.940 ppm2 3.815 CV 1
ASSI ! 436!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 45 and name HA ))
2.100 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.95868E-02 ppm1 0.917 ppm2 3.812 CV 1
ASSI ! 437!
(( segid " " and resid 45 and name HG ))
(( segid " " and resid 45 and name HA ))
3.600 1.600 1.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.13911E-02 ppm1 1.803 ppm2 3.812 CV 1
ASSI ! 439!
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 45 and name HA ))
3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.88305E-03 ppm1 3.284 ppm2 3.809 CV 1
ASSI ! 441!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HB1 ))
3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 4.043 ppm2 1.933 CV 1
ASSI ! 444!
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB1 ))
1.700 0.400 0.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.62788E-02 ppm1 1.453 ppm2 1.927 CV 1
ASSI ! 445!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 45 and name HB1 ))
2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.81693E-02 ppm1 0.914 ppm2 1.930 CV 1
ASSI ! 446!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HB2 ))
3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 4.043 ppm2 1.444 CV 1
ASSI ! 447!
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
3.100 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.20095E-02 ppm1 3.809 ppm2 1.447 CV 1
ASSI ! 450!
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 45 and name HD1#) or ( segid " " and resid 45 and name HD2#))
2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.36313E-02 ppm1 1.926 ppm2 0.928 CV 1
ASSI ! 451!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1#))
2.200 0.600 0.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11386E-01 ppm1 1.875 ppm2 0.919 CV 1
ASSI ! 453!
(( segid " " and resid 48 and name HB1 ))
( segid " " and resid 45 and name HD1#)
5.300 3.500 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.37860E-03 ppm1 3.410 ppm2 0.934 CV 1
ASSI ! 454!
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 45 and name HD1#)
5.200 3.400 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.44343E-03 ppm1 3.281 ppm2 0.931 CV 1
ASSI ! 455!
( segid " " and resid 62 and name HE# )
( segid " " and resid 45 and name HD1#)
2.100 0.500 0.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14401E-01 ppm1 1.996 ppm2 0.930 CV 1
ASSI ! 456!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 45 and name HD1#)
2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.78474E-02 ppm1 0.619 ppm2 0.934 CV 1
ASSI ! 458!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HG ))
3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.69483E-03 ppm1 4.046 ppm2 1.804 CV 1
ASSI ! 460!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 45 and name HG ))
2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.64956E-02 ppm1 0.940 ppm2 1.810 CV 1
ASSI ! 461!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 45 and name HG ))
1.900 0.500 0.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.14050E-01 ppm1 0.908 ppm2 1.801 CV 1
ASSI ! 462!
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 45 and name HN ))
4.100 2.100 1.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.61309E-03 ppm1 4.062 ppm2 8.735 CV 1
ASSI ! 469!
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 45 and name HN ))
4.400 2.400 1.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 1.216 ppm2 8.738 CV 1
ASSI ! 470!
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 3.809 ppm2 8.736 CV 1
ASSI ! 472!
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.27222E-02 ppm1 1.450 ppm2 8.729 CV 1
ASSI ! 474!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 45 and name HN ))
2.600 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.44219E-02 ppm1 0.911 ppm2 8.726 CV 1
ASSI ! 476!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 45 and name HN ))
2.800 2.800 3.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.88907E-03 ppm1 2.013 ppm2 8.732 CV 1
ASSI ! 478!
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 46 and name HA ))
2.900 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 1.929 ppm2 3.857 CV 1
ASSI ! 479!
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HA ))
2.700 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.41918E-02 ppm1 1.731 ppm2 3.857 CV 1
ASSI ! 480!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HA ))
4.600 2.600 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.74350E-03 ppm1 3.296 ppm2 3.866 CV 1
ASSI ! 481!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HA ))
4.600 2.600 1.400 peak 481 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 2.844 ppm2 3.872 CV 1
ASSI ! 482!
(( segid " " and resid 46 and name HG2 ) or ( segid " " and resid 46 and name HG1 ))
(( segid " " and resid 46 and name HA ))
2.900 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.21333E-02 ppm1 1.411 ppm2 3.857 CV 1
ASSI ! 483!
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 46 and name HA ))
3.400 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.71862E-03 ppm1 1.051 ppm2 3.863 CV 1
ASSI ! 485!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HB1 ))
3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 3.302 ppm2 1.939 CV 1
ASSI ! 486!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HB1 ))
3.100 1.200 1.200 peak 486 spectrum 1 weight 0.10000E+01 volume 0.18334E-02 ppm1 2.850 ppm2 1.933 CV 1
ASSI ! 488!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HB2 ))
3.200 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.24085E-02 ppm1 3.305 ppm2 1.729 CV 1
ASSI ! 489!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HB2 ))
2.600 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.33682E-02 ppm1 2.853 ppm2 1.735 CV 1
ASSI ! 490!
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HD1 ))
5.500 3.800 0.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.23185E-03 ppm1 3.875 ppm2 3.303 CV 1
ASSI ! 494!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HD1 ))
1.700 0.400 0.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.82524E-02 ppm1 2.853 ppm2 3.303 CV 1
ASSI ! 496!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 46 and name HD1 ))
3.400 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 0.920 ppm2 3.297 CV 1
ASSI ! 497!
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HD2 ))
3.600 1.600 1.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.54947E-03 ppm1 3.872 ppm2 2.856 CV 1
ASSI ! 502!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 46 and name HD2 ))
2.700 2.700 3.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.11273E-02 ppm1 0.917 ppm2 2.853 CV 1
ASSI ! 504!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HE ))
3.200 1.300 1.300 peak 504 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 3.299 ppm2 9.539 CV 1
ASSI ! 505!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HE ))
2.900 1.100 1.100 peak 505 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 2.844 ppm2 9.533 CV 1
ASSI ! 507!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 46 and name HE ))
3.200 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12671E-02 ppm1 2.006 ppm2 9.533 CV 1
ASSI ! 508!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 46 and name HE ))
3.600 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.11941E-02 ppm1 0.970 ppm2 9.530 CV 1
ASSI ! 509!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 46 and name HE ))
3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.11764E-02 ppm1 0.941 ppm2 9.530 CV 1
ASSI ! 511!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HG1 ) or ( segid " " and resid 46 and name HG2 ))
2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 3.305 ppm2 1.417 CV 1
ASSI ! 512!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HG2 ) or ( segid " " and resid 46 and name HG1 ))
2.900 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 2.850 ppm2 1.414 CV 1
ASSI ! 513!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HH12) or ( segid " " and resid 46 and name HH11))
3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.79907E-03 ppm1 3.299 ppm2 6.588 CV 1
ASSI ! 514!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HH12) or ( segid " " and resid 46 and name HH11))
4.000 2.000 2.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.33369E-03 ppm1 2.850 ppm2 6.588 CV 1
ASSI ! 515!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 46 and name HH11) or ( segid " " and resid 46 and name HH12))
6.000 4.900 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20268E-03 ppm1 0.974 ppm2 6.588 CV 1
ASSI ! 516!
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 46 and name HH11) or ( segid " " and resid 46 and name HH12))
4.500 2.600 1.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.39625E-03 ppm1 4.535 ppm2 6.588 CV 1
ASSI ! 517!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 46 and name HH12) or ( segid " " and resid 46 and name HH11))
3.800 1.800 1.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.14098E-03 ppm1 0.923 ppm2 6.588 CV 1
ASSI ! 518!
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 46 and name HH11) or ( segid " " and resid 46 and name HH12))
3.800 1.800 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.35233E-03 ppm1 4.457 ppm2 6.579 CV 1
ASSI ! 519!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
5.200 3.400 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.42188E-03 ppm1 3.305 ppm2 6.238 CV 1
ASSI ! 520!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
5.500 3.800 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.28827E-03 ppm1 2.856 ppm2 6.226 CV 1
ASSI ! 521!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
2.800 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 0.977 ppm2 6.229 CV 1
ASSI ! 522!
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
3.900 1.900 1.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.32063E-03 ppm1 4.535 ppm2 6.223 CV 1
ASSI ! 523!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 46 and name HH21) or ( segid " " and resid 46 and name HH22))
3.100 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 0.934 ppm2 6.226 CV 1
ASSI ! 524!
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 46 and name HH22) or ( segid " " and resid 46 and name HH21))
3.900 1.900 1.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.32882E-03 ppm1 4.457 ppm2 6.229 CV 1
ASSI ! 525!
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 46 and name HN ))
3.700 1.700 1.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.61629E-03 ppm1 4.049 ppm2 8.285 CV 1
ASSI ! 527!
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HN ))
3.400 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 3.884 ppm2 8.282 CV 1
ASSI ! 528!
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 46 and name HN ))
4.300 2.300 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.50901E-03 ppm1 3.918 ppm2 8.285 CV 1
ASSI ! 529!
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
3.400 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 3.807 ppm2 8.287 CV 1
ASSI ! 530!
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 46 and name HN ))
3.800 1.800 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 1.932 ppm2 8.279 CV 1
ASSI ! 531!
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 46 and name HN ))
2.900 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.83292E-03 ppm1 1.453 ppm2 8.279 CV 1
ASSI ! 532!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 46 and name HN ))
5.200 3.300 0.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.53402E-03 ppm1 0.934 ppm2 8.279 CV 1
ASSI ! 533!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 46 and name HN ))
4.600 2.600 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.93758E-03 ppm1 0.911 ppm2 8.282 CV 1
ASSI ! 534!
(( segid " " and resid 45 and name HG ))
(( segid " " and resid 46 and name HN ))
4.700 2.800 1.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.36623E-03 ppm1 1.794 ppm2 8.279 CV 1
ASSI ! 535!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.27451E-02 ppm1 3.866 ppm2 8.285 CV 1
ASSI ! 541!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 46 and name HN ))
3.800 1.800 1.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.94132E-03 ppm1 2.004 ppm2 8.279 CV 1
ASSI ! 542!
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 47 and name HA ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.62119E-02 ppm1 2.964 ppm2 4.460 CV 1
ASSI ! 543!
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HA ))
2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.56151E-02 ppm1 2.868 ppm2 4.463 CV 1
ASSI ! 544!
(( segid " " and resid 50 and name HB1 ) or ( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 47 and name HA ))
3.000 1.200 1.200 peak 544 spectrum 1 weight 0.10000E+01 volume 0.39371E-02 ppm1 1.932 ppm2 4.460 CV 1
ASSI ! 548!
(( segid " " and resid 43 and name HG1 ))
(( segid " " and resid 47 and name HD21))
4.600 2.600 1.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.53800E-03 ppm1 2.400 ppm2 7.461 CV 1
ASSI ! 550!
(( segid " " and resid 43 and name HG1 ))
(( segid " " and resid 47 and name HD22))
4.200 2.200 1.800 peak 550 spectrum 1 weight 0.10000E+01 volume 0.32081E-03 ppm1 2.388 ppm2 7.062 CV 1
ASSI ! 554!
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 47 and name HN ))
3.200 1.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 3.913 ppm2 7.434 CV 1
ASSI ! 557!
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.52073E-02 ppm1 4.457 ppm2 7.431 CV 1
ASSI ! 558!
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 47 and name HN ))
3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.10015E-01 ppm1 2.967 ppm2 7.434 CV 1
ASSI ! 559!
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HN ))
2.100 0.600 0.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.75609E-02 ppm1 2.865 ppm2 7.434 CV 1
ASSI ! 562!
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HA ))
2.900 1.100 1.100 peak 562 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 3.284 ppm2 4.181 CV 1
ASSI ! 563!
(( segid " " and resid 51 and name HG2 ) or ( segid " " and resid 51 and name HG1 ))
(( segid " " and resid 48 and name HA ))
3.300 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.14596E-02 ppm1 1.169 ppm2 4.184 CV 1
ASSI ! 564!
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 48 and name HB1 ))
3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12978E-02 ppm1 3.803 ppm2 3.405 CV 1
ASSI ! 565!
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB1 ))
3.400 1.400 1.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 4.181 ppm2 3.417 CV 1
ASSI ! 567!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 48 and name HB1 ))
2.500 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.22871E-02 ppm1 1.027 ppm2 3.405 CV 1
ASSI ! 571!
(( segid " " and resid 45 and name HA ))
( segid " " and resid 48 and name HD# )
4.000 2.000 2.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11987E-02 ppm1 3.812 ppm2 7.015 CV 1
ASSI ! 572!
( segid " " and resid 45 and name HD2#)
( segid " " and resid 48 and name HD# )
3.000 3.000 3.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.54415E-02 ppm1 0.908 ppm2 7.014 CV 1
ASSI ! 573!
(( segid " " and resid 48 and name HA ))
( segid " " and resid 48 and name HD# )
2.800 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.50399E-02 ppm1 4.185 ppm2 7.018 CV 1
ASSI ! 574!
(( segid " " and resid 48 and name HB1 ))
( segid " " and resid 48 and name HD# )
3.000 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.18865E-02 ppm1 3.398 ppm2 7.017 CV 1
ASSI ! 575!
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 48 and name HD# )
2.800 1.000 1.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 3.287 ppm2 7.020 CV 1
ASSI ! 576!
(( segid " " and resid 51 and name HD1 ) or ( segid " " and resid 51 and name HD2 ))
( segid " " and resid 48 and name HD# )
2.800 2.800 3.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.77191E-03 ppm1 1.282 ppm2 7.020 CV 1
ASSI ! 577!
( segid " " and resid 93 and name HE# )
( segid " " and resid 48 and name HD# )
4.500 2.600 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.38500E-03 ppm1 1.869 ppm2 7.011 CV 1
ASSI ! 578!
( segid " " and resid 110 and name HG2#)
( segid " " and resid 48 and name HD# )
3.100 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.39245E-02 ppm1 0.811 ppm2 7.017 CV 1
ASSI ! 579!
(( segid " " and resid 44 and name HD1 ))
( segid " " and resid 48 and name HE# )
4.100 2.100 1.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.58373E-03 ppm1 3.134 ppm2 6.852 CV 1
ASSI ! 580!
(( segid " " and resid 44 and name HD2 ))
( segid " " and resid 48 and name HE# )
4.000 2.000 2.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.63818E-03 ppm1 3.012 ppm2 6.852 CV 1
ASSI ! 581!
( segid " " and resid 45 and name HD2#)
( segid " " and resid 48 and name HE# )
4.200 2.200 1.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.87827E-03 ppm1 0.911 ppm2 6.891 CV 1
ASSI ! 582!
( segid " " and resid 93 and name HE# )
( segid " " and resid 48 and name HE# )
4.500 2.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.35903E-03 ppm1 1.878 ppm2 6.882 CV 1
ASSI ! 583!
( segid " " and resid 110 and name HG2#)
( segid " " and resid 48 and name HE# )
3.800 1.800 1.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.81431E-03 ppm1 0.817 ppm2 6.879 CV 1
ASSI ! 586!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 48 and name HN ))
4.600 2.700 1.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.71098E-03 ppm1 0.914 ppm2 8.954 CV 1
ASSI ! 587!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 48 and name HN ))
4.000 2.000 2.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.50615E-03 ppm1 3.875 ppm2 8.940 CV 1
ASSI ! 597!
(( segid " " and resid 49 and name HB1 ))
(( segid " " and resid 49 and name HA ))
2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.15867E-02 ppm1 1.611 ppm2 3.408 CV 1
ASSI ! 598!
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HA ))
3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.21860E-02 ppm1 1.045 ppm2 3.411 CV 1
ASSI ! 599!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 49 and name HA ))
4.900 3.000 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.68644E-03 ppm1 0.591 ppm2 3.411 CV 1
ASSI ! 600!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 49 and name HA ))
2.100 0.600 0.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.77058E-02 ppm1 -1.147 ppm2 3.417 CV 1
ASSI ! 601!
(( segid " " and resid 49 and name HG ))
(( segid " " and resid 49 and name HA ))
3.500 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.86585E-03 ppm1 0.793 ppm2 3.408 CV 1
ASSI ! 602!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 49 and name HA ))
3.400 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 0.243 ppm2 3.411 CV 1
ASSI ! 603!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 49 and name HB1 ))
4.300 2.400 1.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 3.860 ppm2 1.608 CV 1
ASSI ! 605!
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HB1 ))
1.700 0.400 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.55063E-02 ppm1 1.051 ppm2 1.609 CV 1
ASSI ! 606!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 49 and name HB1 ))
2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.29106E-02 ppm1 0.597 ppm2 1.606 CV 1
ASSI ! 607!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 49 and name HB1 ))
2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.21359E-02 ppm1 -1.150 ppm2 1.609 CV 1
ASSI ! 613!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 49 and name HB2 ))
3.300 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.40096E-02 ppm1 -1.147 ppm2 1.039 CV 1
ASSI ! 617!
(( segid " " and resid 49 and name HB2 ))
( segid " " and resid 49 and name HD1#)
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.21806E-02 ppm1 1.048 ppm2 0.592 CV 1
ASSI ! 618!
( segid " " and resid 49 and name HD2#)
( segid " " and resid 49 and name HD1#)
2.200 0.600 0.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10023E-01 ppm1 -1.150 ppm2 0.598 CV 1
ASSI ! 619!
( segid " " and resid 53 and name HG2#)
( segid " " and resid 49 and name HD1#)
3.800 1.800 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.27886E-02 ppm1 0.240 ppm2 0.598 CV 1
ASSI ! 624!
( segid " " and resid 76 and name HD1#)
( segid " " and resid 49 and name HD1#)
2.400 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.42641E-02 ppm1 0.928 ppm2 0.595 CV 1
ASSI ! 631!
( segid " " and resid 53 and name HG2#)
( segid " " and resid 49 and name HD2#)
2.600 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.78657E-02 ppm1 0.237 ppm2 -1.143 CV 1
ASSI ! 632!
(( segid " " and resid 56 and name HA ))
( segid " " and resid 49 and name HD2#)
4.700 2.700 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.42583E-03 ppm1 4.147 ppm2 -1.141 CV 1
ASSI ! 635!
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 49 and name HD2#)
5.500 3.800 0.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.26723E-03 ppm1 3.745 ppm2 -1.137 CV 1
ASSI ! 636!
( segid " " and resid 76 and name HD1#)
( segid " " and resid 49 and name HD2#)
4.200 2.200 1.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.78777E-03 ppm1 0.925 ppm2 -1.146 CV 1
ASSI ! 637!
( segid " " and resid 110 and name HD1#)
( segid " " and resid 49 and name HD2#)
3.600 1.700 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.56832E-03 ppm1 1.031 ppm2 -1.140 CV 1
ASSI ! 639!
(( segid " " and resid 49 and name HB1 ))
(( segid " " and resid 49 and name HG ))
3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.21310E-02 ppm1 1.608 ppm2 0.799 CV 1
ASSI ! 640!
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HG ))
2.700 0.900 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.15518E-02 ppm1 1.051 ppm2 0.796 CV 1
ASSI ! 641!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 49 and name HG ))
2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.69341E-02 ppm1 0.603 ppm2 0.799 CV 1
ASSI ! 642!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 49 and name HG ))
2.300 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.48023E-02 ppm1 -1.150 ppm2 0.793 CV 1
ASSI ! 644!
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 49 and name HN ))
3.600 1.600 1.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 4.454 ppm2 8.288 CV 1
ASSI ! 645!
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
3.500 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.11899E-02 ppm1 4.186 ppm2 8.293 CV 1
ASSI ! 646!
(( segid " " and resid 48 and name HB1 ))
(( segid " " and resid 49 and name HN ))
2.700 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 3.410 ppm2 8.294 CV 1
ASSI ! 651!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 49 and name HN ))
3.600 1.600 1.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.27062E-02 ppm1 -1.141 ppm2 8.291 CV 1
ASSI ! 653!
(( segid " " and resid 50 and name HB1 ) or ( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 49 and name HN ))
4.300 2.300 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11985E-02 ppm1 1.926 ppm2 8.294 CV 1
ASSI ! 654!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 49 and name HN ))
4.100 2.100 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 0.240 ppm2 8.291 CV 1
ASSI ! 655!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 49 and name HN ))
3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.21104E-02 ppm1 1.024 ppm2 8.288 CV 1
ASSI ! 656!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 49 and name HN ))
4.800 2.800 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.80235E-03 ppm1 0.805 ppm2 8.291 CV 1
ASSI ! 657!
(( segid " " and resid 50 and name HB2 ) or ( segid " " and resid 50 and name HB1 ))
(( segid " " and resid 50 and name HA ))
2.400 0.700 0.700 peak 657 spectrum 1 weight 0.10000E+01 volume 0.75442E-02 ppm1 1.932 ppm2 3.890 CV 1
ASSI ! 658!
(( segid " " and resid 50 and name HB2 ) or ( segid " " and resid 50 and name HB1 ))
(( segid " " and resid 50 and name HE1 ) or ( segid " " and resid 50 and name HE2 ))
3.900 1.900 1.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.10991E-02 ppm1 1.926 ppm2 2.976 CV 1
ASSI ! 659!
(( segid " " and resid 50 and name HG1 ))
(( segid " " and resid 50 and name HE1 ) or ( segid " " and resid 50 and name HE2 ))
2.800 1.000 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.52143E-02 ppm1 1.545 ppm2 2.973 CV 1
ASSI ! 660!
(( segid " " and resid 50 and name HG2 ))
(( segid " " and resid 50 and name HE2 ) or ( segid " " and resid 50 and name HE1 ))
2.700 0.900 0.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.55964E-02 ppm1 1.441 ppm2 2.976 CV 1
ASSI ! 662!
(( segid " " and resid 49 and name HB1 ))
(( segid " " and resid 50 and name HN ))
3.300 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.21883E-02 ppm1 1.608 ppm2 7.320 CV 1
ASSI ! 663!
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 50 and name HN ))
2.900 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11879E-02 ppm1 1.051 ppm2 7.320 CV 1
ASSI ! 665!
(( segid " " and resid 49 and name HG ))
(( segid " " and resid 50 and name HN ))
4.600 2.700 1.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.62485E-03 ppm1 0.802 ppm2 7.326 CV 1
ASSI ! 667!
(( segid " " and resid 50 and name HB1 ) or ( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
2.300 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10439E-01 ppm1 1.929 ppm2 7.323 CV 1
ASSI ! 668!
(( segid " " and resid 50 and name HG1 ))
(( segid " " and resid 50 and name HN ))
2.500 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.40019E-02 ppm1 1.541 ppm2 7.323 CV 1
ASSI ! 669!
(( segid " " and resid 50 and name HG2 ))
(( segid " " and resid 50 and name HN ))
2.900 1.000 1.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.27076E-02 ppm1 1.448 ppm2 7.329 CV 1
ASSI ! 671!
(( segid " " and resid 51 and name HB1 ) or ( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
2.500 0.800 0.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.68071E-02 ppm1 1.312 ppm2 4.076 CV 1
ASSI ! 672!
(( segid " " and resid 51 and name HD2 ) or ( segid " " and resid 51 and name HD1 ))
(( segid " " and resid 51 and name HA ))
3.800 1.800 1.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.41627E-02 ppm1 1.282 ppm2 4.079 CV 1
ASSI ! 673!
(( segid " " and resid 51 and name HG1 ) or ( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 51 and name HA ))
3.000 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.44767E-02 ppm1 1.166 ppm2 4.082 CV 1
ASSI ! 674!
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 51 and name HB2 ) or ( segid " " and resid 51 and name HB1 ))
3.700 1.700 1.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.15720E-02 ppm1 4.185 ppm2 1.306 CV 1
ASSI ! 677!
(( segid " " and resid 51 and name HE1 ) or ( segid " " and resid 51 and name HE2 ))
(( segid " " and resid 51 and name HD2 ) or ( segid " " and resid 51 and name HD1 ))
2.200 0.600 0.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.11311E-01 ppm1 2.841 ppm2 1.285 CV 1
ASSI ! 678!
(( segid " " and resid 51 and name HG1 ) or ( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 51 and name HD2 ) or ( segid " " and resid 51 and name HD1 ))
1.900 0.400 0.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.33063E-01 ppm1 1.166 ppm2 1.282 CV 1
ASSI ! 679!
(( segid " " and resid 51 and name HB2 ) or ( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 51 and name HE2 ) or ( segid " " and resid 51 and name HE1 ))
4.300 2.300 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.96391E-03 ppm1 1.315 ppm2 2.841 CV 1
ASSI ! 681!
(( segid " " and resid 51 and name HG2 ) or ( segid " " and resid 51 and name HG1 ))
(( segid " " and resid 51 and name HE2 ) or ( segid " " and resid 51 and name HE1 ))
2.900 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.34961E-02 ppm1 1.169 ppm2 2.844 CV 1
ASSI ! 683!
(( segid " " and resid 51 and name HB1 ) or ( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HG1 ) or ( segid " " and resid 51 and name HG2 ))
2.200 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10920E-01 ppm1 1.309 ppm2 1.171 CV 1
ASSI ! 687!
(( segid " " and resid 50 and name HB1 ) or ( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HN ))
2.400 0.700 0.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.57168E-02 ppm1 1.929 ppm2 7.434 CV 1
ASSI ! 690!
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HN ))
2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.38826E-02 ppm1 4.082 ppm2 7.434 CV 1
ASSI ! 692!
(( segid " " and resid 51 and name HD1 ) or ( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 51 and name HN ))
3.800 1.800 1.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 1.279 ppm2 7.440 CV 1
ASSI ! 693!
(( segid " " and resid 51 and name HG1 ) or ( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 51 and name HN ))
2.400 0.700 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.57114E-02 ppm1 1.166 ppm2 7.437 CV 1
ASSI ! 694!
(( segid " " and resid 51 and name HB2 ) or ( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 52 and name HA1 ))
4.900 3.000 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.53680E-03 ppm1 1.306 ppm2 3.899 CV 1
ASSI ! 695!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 52 and name HA1 ))
3.500 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.94310E-03 ppm1 0.240 ppm2 3.896 CV 1
ASSI ! 696!
(( segid " " and resid 51 and name HB2 ) or ( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 52 and name HA2 ))
3.100 3.100 2.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.30297E-02 ppm1 1.315 ppm2 4.184 CV 1
ASSI ! 697!
(( segid " " and resid 51 and name HD1 ) or ( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 52 and name HA2 ))
2.600 2.600 3.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 1.282 ppm2 4.166 CV 1
ASSI ! 698!
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 52 and name HN ))
2.500 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.38478E-02 ppm1 3.410 ppm2 8.293 CV 1
ASSI ! 699!
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 52 and name HN ))
3.800 1.800 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.88363E-03 ppm1 3.894 ppm2 8.285 CV 1
ASSI ! 700!
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
3.300 1.400 1.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.14338E-02 ppm1 4.082 ppm2 8.285 CV 1
ASSI ! 701!
(( segid " " and resid 51 and name HB2 ) or ( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 52 and name HN ))
3.100 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.37888E-02 ppm1 1.315 ppm2 8.291 CV 1
ASSI ! 702!
(( segid " " and resid 51 and name HD1 ) or ( segid " " and resid 51 and name HD2 ))
(( segid " " and resid 52 and name HN ))
2.800 2.800 3.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.78325E-03 ppm1 1.279 ppm2 8.294 CV 1
ASSI ! 703!
(( segid " " and resid 51 and name HG2 ) or ( segid " " and resid 51 and name HG1 ))
(( segid " " and resid 52 and name HN ))
3.700 1.700 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 1.166 ppm2 8.294 CV 1
ASSI ! 704!
(( segid " " and resid 52 and name HA1 ))
(( segid " " and resid 52 and name HN ))
2.300 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.53833E-02 ppm1 3.896 ppm2 8.294 CV 1
ASSI ! 705!
(( segid " " and resid 52 and name HA2 ))
(( segid " " and resid 52 and name HN ))
2.900 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.44173E-02 ppm1 4.187 ppm2 8.288 CV 1
ASSI ! 706!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 53 and name HA ))
2.500 0.800 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.57584E-02 ppm1 0.234 ppm2 4.850 CV 1
ASSI ! 707!
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB ))
2.500 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.44680E-02 ppm1 4.837 ppm2 4.328 CV 1
ASSI ! 709!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 53 and name HB ))
2.200 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.88238E-02 ppm1 0.240 ppm2 4.331 CV 1
ASSI ! 710!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 53 and name HG1 ))
4.600 2.600 1.400 peak 710 spectrum 1 weight 0.10000E+01 volume 0.57779E-03 ppm1 0.603 ppm2 3.620 CV 1
ASSI ! 711!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 53 and name HG1 ))
3.300 1.400 1.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.14429E-02 ppm1 -1.147 ppm2 3.620 CV 1
ASSI ! 712!
(( segid " " and resid 49 and name HG ))
(( segid " " and resid 53 and name HG1 ))
4.700 2.800 1.300 peak 712 spectrum 1 weight 0.10000E+01 volume 0.70525E-03 ppm1 0.787 ppm2 3.617 CV 1
ASSI ! 713!
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG1 ))
4.300 2.300 1.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.71688E-03 ppm1 4.847 ppm2 3.624 CV 1
ASSI ! 714!
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 53 and name HG1 ))
3.000 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 4.329 ppm2 3.622 CV 1
ASSI ! 715!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 53 and name HG1 ))
2.300 0.600 0.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.84214E-02 ppm1 0.240 ppm2 3.617 CV 1
ASSI ! 716!
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 53 and name HG1 ))
3.400 1.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.78420E-03 ppm1 4.144 ppm2 3.622 CV 1
ASSI ! 723!
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 53 and name HN ))
3.600 1.700 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.51578E-03 ppm1 3.419 ppm2 7.146 CV 1
ASSI ! 724!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 53 and name HN ))
3.500 1.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.26129E-02 ppm1 -1.141 ppm2 7.146 CV 1
ASSI ! 725!
(( segid " " and resid 49 and name HG ))
(( segid " " and resid 53 and name HN ))
4.900 3.000 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.68968E-03 ppm1 0.811 ppm2 7.155 CV 1
ASSI ! 726!
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 53 and name HN ))
3.600 1.600 1.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.96404E-03 ppm1 3.897 ppm2 7.146 CV 1
ASSI ! 727!
(( segid " " and resid 52 and name HA1 ))
(( segid " " and resid 53 and name HN ))
2.900 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 3.887 ppm2 7.152 CV 1
ASSI ! 728!
(( segid " " and resid 52 and name HA2 ))
(( segid " " and resid 53 and name HN ))
3.700 1.800 1.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 4.172 ppm2 7.146 CV 1
ASSI ! 729!
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
2.900 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 4.835 ppm2 7.147 CV 1
ASSI ! 731!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 53 and name HN ))
2.500 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.69325E-02 ppm1 0.243 ppm2 7.152 CV 1
ASSI ! 733!
(( segid " " and resid 54 and name HB2 ) or ( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HA ))
2.400 0.700 0.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.88965E-02 ppm1 1.872 ppm2 4.352 CV 1
ASSI ! 734!
(( segid " " and resid 54 and name HD1 ) or ( segid " " and resid 54 and name HD2 ))
(( segid " " and resid 54 and name HA ))
3.800 1.800 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.25349E-02 ppm1 1.707 ppm2 4.361 CV 1
ASSI ! 735!
(( segid " " and resid 54 and name HG1 ) or ( segid " " and resid 54 and name HG2 ))
(( segid " " and resid 54 and name HA ))
2.900 1.100 1.100 peak 735 spectrum 1 weight 0.10000E+01 volume 0.41939E-02 ppm1 1.533 ppm2 4.355 CV 1
ASSI ! 736!
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HB1 ) or ( segid " " and resid 54 and name HB2 ))
5.300 3.500 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.46192E-03 ppm1 4.854 ppm2 1.855 CV 1
ASSI ! 739!
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HG1 ))
3.600 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 4.355 ppm2 1.570 CV 1
ASSI ! 740!
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HG2 ))
3.300 1.300 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 4.355 ppm2 1.513 CV 1
ASSI ! 741!
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.71165E-02 ppm1 4.835 ppm2 8.415 CV 1
ASSI ! 742!
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 54 and name HN ))
2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.26761E-02 ppm1 4.330 ppm2 8.415 CV 1
ASSI ! 745!
(( segid " " and resid 54 and name HB1 ) or ( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HN ))
2.400 0.700 0.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.69603E-02 ppm1 1.860 ppm2 8.417 CV 1
ASSI ! 746!
(( segid " " and resid 54 and name HD2 ) or ( segid " " and resid 54 and name HD1 ))
(( segid " " and resid 54 and name HN ))
3.800 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 1.704 ppm2 8.414 CV 1
ASSI ! 747!
(( segid " " and resid 54 and name HG2 ) or ( segid " " and resid 54 and name HG1 ))
(( segid " " and resid 54 and name HN ))
2.700 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.30040E-02 ppm1 1.550 ppm2 8.414 CV 1
ASSI ! 749!
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 55 and name HA ))
3.300 1.400 1.400 peak 749 spectrum 1 weight 0.10000E+01 volume 0.21346E-02 ppm1 2.883 ppm2 4.991 CV 1
ASSI ! 750!
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HA ))
2.500 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.37065E-02 ppm1 2.649 ppm2 4.991 CV 1
ASSI ! 751!
(( segid " " and resid 54 and name HB1 ) or ( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 55 and name HB1 ))
3.800 1.800 1.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.79745E-03 ppm1 1.860 ppm2 2.892 CV 1
ASSI ! 754!
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 55 and name HD21))
2.300 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.34842E-02 ppm1 2.889 ppm2 7.542 CV 1
ASSI ! 755!
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HD21))
3.300 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.31649E-02 ppm1 2.652 ppm2 7.533 CV 1
ASSI ! 757!
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 55 and name HD22))
3.800 1.800 1.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.18673E-02 ppm1 2.886 ppm2 6.822 CV 1
ASSI ! 759!
( segid " " and resid 57 and name HB# )
(( segid " " and resid 55 and name HD22))
2.900 1.100 1.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 1.486 ppm2 6.831 CV 1
ASSI ! 761!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 55 and name HD22))
4.700 2.700 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 1.656 ppm2 6.834 CV 1
ASSI ! 763!
(( segid " " and resid 54 and name HB1 ) or ( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 55 and name HN ))
2.800 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.44937E-02 ppm1 1.863 ppm2 7.821 CV 1
ASSI ! 764!
(( segid " " and resid 54 and name HG2 ) or ( segid " " and resid 54 and name HG1 ))
(( segid " " and resid 55 and name HN ))
3.900 1.900 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.84700E-03 ppm1 1.556 ppm2 7.830 CV 1
ASSI ! 768!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 56 and name HA ))
3.500 1.600 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 0.594 ppm2 4.139 CV 1
ASSI ! 770!
(( segid " " and resid 49 and name HG ))
(( segid " " and resid 56 and name HA ))
5.200 3.300 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.59557E-03 ppm1 0.784 ppm2 4.148 CV 1
ASSI ! 772!
(( segid " " and resid 56 and name HB2 ) or ( segid " " and resid 56 and name HB1 ))
(( segid " " and resid 56 and name HA ))
2.400 0.700 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.33269E-02 ppm1 3.755 ppm2 4.146 CV 1
ASSI ! 774!
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB1 ))
2.600 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.22810E-02 ppm1 4.148 ppm2 3.782 CV 1
ASSI ! 775!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 56 and name HB2 ))
3.100 1.200 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.17235E-02 ppm1 0.594 ppm2 3.722 CV 1
ASSI ! 776!
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
2.600 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.22666E-02 ppm1 4.150 ppm2 3.730 CV 1
ASSI ! 777!
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 56 and name HN ))
2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.50278E-02 ppm1 4.990 ppm2 8.552 CV 1
ASSI ! 779!
(( segid " " and resid 56 and name HB1 ) or ( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
3.300 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 3.760 ppm2 8.554 CV 1
ASSI ! 782!
( segid " " and resid 57 and name HB# )
(( segid " " and resid 57 and name HA ))
2.000 0.500 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.23632E-01 ppm1 1.492 ppm2 4.277 CV 1
ASSI ! 783!
(( segid " " and resid 55 and name HA ))
( segid " " and resid 57 and name HB# )
5.100 3.300 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.45232E-03 ppm1 4.993 ppm2 1.492 CV 1
ASSI ! 790!
( segid " " and resid 57 and name HB# )
(( segid " " and resid 57 and name HN ))
2.000 0.500 0.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.23092E-01 ppm1 1.492 ppm2 8.132 CV 1
ASSI ! 791!
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HA ))
2.600 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.44003E-02 ppm1 2.088 ppm2 4.262 CV 1
ASSI ! 792!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HA ))
2.500 0.800 0.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.57509E-02 ppm1 1.635 ppm2 4.262 CV 1
ASSI ! 793!
(( segid " " and resid 58 and name HG1 ))
(( segid " " and resid 58 and name HA ))
4.000 2.000 2.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11997E-02 ppm1 2.295 ppm2 4.259 CV 1
ASSI ! 794!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HA ))
4.500 2.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.59432E-03 ppm1 0.952 ppm2 4.259 CV 1
ASSI ! 797!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HB1 ))
1.800 0.400 0.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.97791E-02 ppm1 1.638 ppm2 2.088 CV 1
ASSI ! 798!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HB1 ))
2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.26913E-02 ppm1 0.946 ppm2 2.091 CV 1
ASSI ! 801!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HB2 ))
3.300 1.400 1.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 0.949 ppm2 1.642 CV 1
ASSI ! 802!
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 58 and name HE21))
2.700 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.22864E-02 ppm1 2.889 ppm2 7.161 CV 1
ASSI ! 803!
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 58 and name HE21))
4.700 2.700 1.300 peak 803 spectrum 1 weight 0.10000E+01 volume 0.90244E-03 ppm1 2.649 ppm2 7.161 CV 1
ASSI ! 804!
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HE21))
3.600 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 2.091 ppm2 7.164 CV 1
ASSI ! 805!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HE21))
4.400 2.400 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.93363E-03 ppm1 1.635 ppm2 7.167 CV 1
ASSI ! 806!
(( segid " " and resid 58 and name HG1 ))
(( segid " " and resid 58 and name HE21))
3.200 1.300 1.300 peak 806 spectrum 1 weight 0.10000E+01 volume 0.27603E-02 ppm1 2.298 ppm2 7.161 CV 1
ASSI ! 807!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HE21))
2.400 0.700 0.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.21109E-02 ppm1 0.946 ppm2 7.164 CV 1
ASSI ! 808!
(( segid " " and resid 100 and name HG1 ))
(( segid " " and resid 58 and name HE21))
4.400 2.400 1.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.60258E-03 ppm1 1.345 ppm2 7.170 CV 1
ASSI ! 809!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 58 and name HE21))
4.100 2.100 1.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.59365E-03 ppm1 0.472 ppm2 7.161 CV 1
ASSI ! 810!
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 58 and name HE22))
3.400 1.500 1.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.15149E-02 ppm1 2.889 ppm2 6.750 CV 1
ASSI ! 811!
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 58 and name HE22))
5.500 3.800 0.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.54560E-03 ppm1 2.649 ppm2 6.750 CV 1
ASSI ! 812!
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HE22))
4.900 3.000 1.100 peak 812 spectrum 1 weight 0.10000E+01 volume 0.38310E-03 ppm1 2.097 ppm2 6.753 CV 1
ASSI ! 815!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HE22))
4.500 2.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.68245E-03 ppm1 0.955 ppm2 6.747 CV 1
ASSI ! 817!
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HG1 ))
3.000 1.100 1.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.35238E-02 ppm1 2.091 ppm2 2.295 CV 1
ASSI ! 818!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HG1 ))
2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.32608E-02 ppm1 1.638 ppm2 2.292 CV 1
ASSI ! 819!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HG1 ))
1.700 0.400 0.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.75314E-02 ppm1 0.949 ppm2 2.292 CV 1
ASSI ! 824!
( segid " " and resid 57 and name HB# )
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.46042E-02 ppm1 1.489 ppm2 7.119 CV 1
ASSI ! 825!
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
2.600 0.800 0.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.40859E-02 ppm1 4.262 ppm2 7.113 CV 1
ASSI ! 826!
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HN ))
2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.27088E-02 ppm1 2.088 ppm2 7.110 CV 1
ASSI ! 827!
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HN ))
3.300 1.300 1.300 peak 827 spectrum 1 weight 0.10000E+01 volume 0.40253E-02 ppm1 1.638 ppm2 7.116 CV 1
ASSI ! 828!
(( segid " " and resid 58 and name HG1 ))
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.36705E-02 ppm1 2.295 ppm2 7.110 CV 1
ASSI ! 829!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HN ))
2.300 0.600 0.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 0.949 ppm2 7.110 CV 1
ASSI ! 830!
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 59 and name HA ))
2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10430E-02 ppm1 2.986 ppm2 4.613 CV 1
ASSI ! 831!
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HA ))
3.100 1.200 1.200 peak 831 spectrum 1 weight 0.10000E+01 volume 0.14504E-02 ppm1 2.800 ppm2 4.616 CV 1
ASSI ! 832!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 59 and name HA ))
3.700 1.700 1.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.72473E-03 ppm1 1.887 ppm2 4.619 CV 1
ASSI ! 833!
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 59 and name HA ))
4.800 2.900 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.71401E-03 ppm1 1.492 ppm2 4.619 CV 1
ASSI ! 834!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 59 and name HB1 ))
3.400 1.500 1.500 peak 834 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 0.597 ppm2 2.997 CV 1
ASSI ! 835!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 59 and name HB1 ))
2.600 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 0.931 ppm2 2.994 CV 1
ASSI ! 836!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 59 and name HB2 ))
3.400 1.400 1.400 peak 836 spectrum 1 weight 0.10000E+01 volume 0.94734E-03 ppm1 0.594 ppm2 2.808 CV 1
ASSI ! 837!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 59 and name HB2 ))
3.000 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.22900E-02 ppm1 0.922 ppm2 2.805 CV 1
ASSI ! 838!
( segid " " and resid 49 and name HD1#)
( segid " " and resid 59 and name HD# )
2.800 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.27030E-02 ppm1 0.597 ppm2 7.152 CV 1
ASSI ! 839!
(( segid " " and resid 56 and name HA ))
( segid " " and resid 59 and name HD# )
2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 4.147 ppm2 7.158 CV 1
ASSI ! 840!
(( segid " " and resid 56 and name HB2 ) or ( segid " " and resid 56 and name HB1 ))
( segid " " and resid 59 and name HD# )
4.400 2.400 1.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.60084E-03 ppm1 3.768 ppm2 7.152 CV 1
ASSI ! 841!
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD# )
3.100 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 4.623 ppm2 7.157 CV 1
ASSI ! 842!
(( segid " " and resid 59 and name HB1 ))
( segid " " and resid 59 and name HD# )
2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 2.992 ppm2 7.152 CV 1
ASSI ! 843!
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD# )
2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.22483E-02 ppm1 2.812 ppm2 7.152 CV 1
ASSI ! 844!
( segid " " and resid 76 and name HD1#)
( segid " " and resid 59 and name HD# )
3.600 1.600 1.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.92371E-03 ppm1 0.928 ppm2 7.155 CV 1
ASSI ! 845!
(( segid " " and resid 98 and name HB1 ))
( segid " " and resid 59 and name HD# )
2.900 1.100 1.100 peak 845 spectrum 1 weight 0.10000E+01 volume 0.54598E-03 ppm1 2.769 ppm2 7.155 CV 1
ASSI ! 846!
(( segid " " and resid 98 and name HB2 ))
( segid " " and resid 59 and name HD# )
4.200 2.200 1.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.11756E-02 ppm1 2.565 ppm2 7.155 CV 1
ASSI ! 847!
(( segid " " and resid 100 and name HA ))
( segid " " and resid 59 and name HD# )
4.000 2.000 2.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 4.535 ppm2 7.152 CV 1
ASSI ! 848!
( segid " " and resid 49 and name HD1#)
( segid " " and resid 59 and name HE# )
3.600 1.600 1.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 0.592 ppm2 7.200 CV 1
ASSI ! 849!
( segid " " and resid 49 and name HD2#)
( segid " " and resid 59 and name HE# )
3.100 1.200 1.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 -1.141 ppm2 7.206 CV 1
ASSI ! 850!
(( segid " " and resid 53 and name HB ))
( segid " " and resid 59 and name HE# )
4.100 2.100 1.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.52114E-03 ppm1 4.335 ppm2 7.216 CV 1
ASSI ! 851!
( segid " " and resid 53 and name HG2#)
( segid " " and resid 59 and name HE# )
3.100 1.200 1.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.42765E-02 ppm1 0.243 ppm2 7.215 CV 1
ASSI ! 852!
(( segid " " and resid 56 and name HA ))
( segid " " and resid 59 and name HE# )
2.600 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 4.147 ppm2 7.203 CV 1
ASSI ! 853!
(( segid " " and resid 59 and name HB1 ))
( segid " " and resid 59 and name HE# )
4.500 2.600 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.73050E-03 ppm1 2.991 ppm2 7.212 CV 1
ASSI ! 854!
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HE# )
4.400 2.400 1.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 2.805 ppm2 7.212 CV 1
ASSI ! 855!
(( segid " " and resid 100 and name HD2 ))
( segid " " and resid 59 and name HE# )
3.800 1.800 1.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.56687E-03 ppm1 1.516 ppm2 7.224 CV 1
ASSI ! 856!
(( segid " " and resid 100 and name HE1 ))
( segid " " and resid 59 and name HE# )
3.400 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.82445E-03 ppm1 3.065 ppm2 7.215 CV 1
ASSI ! 857!
(( segid " " and resid 100 and name HE2 ))
( segid " " and resid 59 and name HE# )
3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.72535E-03 ppm1 2.718 ppm2 7.218 CV 1
ASSI ! 858!
(( segid " " and resid 100 and name HG1 ))
( segid " " and resid 59 and name HE# )
3.100 1.200 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 1.342 ppm2 7.218 CV 1
ASSI ! 859!
(( segid " " and resid 100 and name HG2 ))
( segid " " and resid 59 and name HE# )
4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.55540E-03 ppm1 0.472 ppm2 7.215 CV 1
ASSI ! 860!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
( segid " " and resid 59 and name HE# )
3.300 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.72681E-03 ppm1 2.225 ppm2 7.209 CV 1
ASSI ! 864!
( segid " " and resid 57 and name HB# )
(( segid " " and resid 59 and name HN ))
5.100 3.200 0.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.56807E-03 ppm1 1.498 ppm2 7.368 CV 1
ASSI ! 865!
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
3.300 1.400 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.12594E-02 ppm1 4.259 ppm2 7.365 CV 1
ASSI ! 874!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 59 and name HN ))
4.400 2.500 1.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.49880E-03 ppm1 1.890 ppm2 7.344 CV 1
ASSI ! 875!
( segid " " and resid 53 and name HG2#)
(( segid " " and resid 59 and name HZ ))
2.900 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 0.237 ppm2 6.993 CV 1
ASSI ! 876!
(( segid " " and resid 100 and name HE1 ))
(( segid " " and resid 59 and name HZ ))
4.100 2.100 1.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.50328E-03 ppm1 3.071 ppm2 7.002 CV 1
ASSI ! 877!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
(( segid " " and resid 59 and name HZ ))
3.700 1.700 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.68810E-03 ppm1 2.207 ppm2 6.993 CV 1
ASSI ! 879!
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HA ))
2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.57521E-02 ppm1 2.034 ppm2 4.478 CV 1
ASSI ! 880!
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 60 and name HA ))
2.700 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 2.469 ppm2 4.475 CV 1
ASSI ! 881!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HA ))
3.500 1.500 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.19203E-02 ppm1 2.283 ppm2 4.481 CV 1
ASSI ! 882!
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
4.300 2.300 1.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.69271E-03 ppm1 4.624 ppm2 2.034 CV 1
ASSI ! 885!
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
2.400 0.700 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.70920E-02 ppm1 2.466 ppm2 2.037 CV 1
ASSI ! 886!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HB2 ) or ( segid " " and resid 60 and name HB1 ))
2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.87071E-02 ppm1 2.283 ppm2 2.037 CV 1
ASSI ! 887!
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
2.200 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.46773E-02 ppm1 4.190 ppm2 2.034 CV 1
ASSI ! 890!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HG1 ))
1.700 0.400 0.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.14062E-01 ppm1 2.286 ppm2 2.463 CV 1
ASSI ! 894!
(( segid " " and resid 99 and name HB1 ))
(( segid " " and resid 60 and name HG2 ))
4.800 2.900 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.35067E-03 ppm1 3.223 ppm2 2.286 CV 1
ASSI ! 895!
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 60 and name HG2 ))
3.800 1.800 1.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.89206E-03 ppm1 2.977 ppm2 2.283 CV 1
ASSI ! 896!
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
2.300 0.600 0.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 4.620 ppm2 9.228 CV 1
ASSI ! 900!
(( segid " " and resid 60 and name HB2 ) or ( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HN ))
2.400 0.700 0.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.58759E-02 ppm1 2.034 ppm2 9.227 CV 1
ASSI ! 903!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 60 and name HN ))
5.000 3.200 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.30780E-03 ppm1 1.261 ppm2 9.227 CV 1
ASSI ! 904!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 60 and name HN ))
5.300 3.500 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.47076E-03 ppm1 1.093 ppm2 9.224 CV 1
ASSI ! 905!
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 60 and name HN ))
2.500 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.24824E-02 ppm1 4.532 ppm2 9.227 CV 1
ASSI ! 906!
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 60 and name HN ))
4.600 2.600 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.77884E-03 ppm1 4.181 ppm2 9.226 CV 1
ASSI ! 907!
(( segid " " and resid 101 and name HB2 ) or ( segid " " and resid 101 and name HB1 ))
(( segid " " and resid 60 and name HN ))
4.700 2.700 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.53385E-03 ppm1 1.809 ppm2 9.230 CV 1
ASSI ! 909!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HA ))
2.600 0.800 0.800 peak 909 spectrum 1 weight 0.10000E+01 volume 0.25223E-02 ppm1 1.261 ppm2 5.074 CV 1
ASSI ! 910!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HA ))
2.400 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.20426E-02 ppm1 1.099 ppm2 5.074 CV 1
ASSI ! 911!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 61 and name HA ))
3.800 1.800 1.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.53518E-03 ppm1 1.138 ppm2 5.059 CV 1
ASSI ! 912!
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 61 and name HA ))
2.400 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.31282E-02 ppm1 4.527 ppm2 5.072 CV 1
ASSI ! 913!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.97483E-03 ppm1 0.925 ppm2 5.074 CV 1
ASSI ! 914!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 61 and name HA ))
4.600 2.700 1.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.89900E-03 ppm1 0.923 ppm2 5.077 CV 1
ASSI ! 915!
(( segid " " and resid 76 and name HG ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.21651E-02 ppm1 1.504 ppm2 5.071 CV 1
ASSI ! 916!
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 61 and name HB1 ))
4.800 2.800 1.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.36283E-03 ppm1 2.472 ppm2 1.270 CV 1
ASSI ! 917!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 61 and name HB1 ))
3.000 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.58605E-03 ppm1 2.283 ppm2 1.270 CV 1
ASSI ! 920!
(( segid " " and resid 61 and name HD1 ))
(( segid " " and resid 61 and name HB1 ))
3.400 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.22593E-02 ppm1 0.991 ppm2 1.261 CV 1
ASSI ! 921!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 61 and name HB1 ))
2.400 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.63365E-02 ppm1 1.150 ppm2 1.255 CV 1
ASSI ! 922!
(( segid " " and resid 61 and name HG2 ))
(( segid " " and resid 61 and name HB1 ))
2.400 0.700 0.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 0.745 ppm2 1.255 CV 1
ASSI ! 928!
(( segid " " and resid 61 and name HD2 ))
(( segid " " and resid 61 and name HD1 ))
1.600 0.300 0.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.10856E-01 ppm1 0.877 ppm2 0.982 CV 1
ASSI ! 929!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HD1 ))
2.900 1.000 1.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.31288E-02 ppm1 2.256 ppm2 0.997 CV 1
ASSI ! 930!
(( segid " " and resid 61 and name HE2 ))
(( segid " " and resid 61 and name HD1 ))
2.500 0.800 0.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.31157E-02 ppm1 2.094 ppm2 1.000 CV 1
ASSI ! 931!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HD2 ))
3.700 1.700 1.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.29983E-02 ppm1 1.264 ppm2 0.886 CV 1
ASSI ! 932!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HD2 ))
3.100 1.200 1.200 peak 932 spectrum 1 weight 0.10000E+01 volume 0.24429E-02 ppm1 1.093 ppm2 0.883 CV 1
ASSI ! 935!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HD2 ))
2.600 0.800 0.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.25986E-02 ppm1 2.256 ppm2 0.874 CV 1
ASSI ! 936!
(( segid " " and resid 61 and name HE2 ))
(( segid " " and resid 61 and name HD2 ))
2.900 1.000 1.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.34196E-02 ppm1 2.091 ppm2 0.874 CV 1
ASSI ! 937!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HE1 ))
4.300 2.400 1.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.94306E-03 ppm1 1.255 ppm2 2.268 CV 1
ASSI ! 938!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HE1 ))
4.400 2.400 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.76331E-03 ppm1 1.102 ppm2 2.262 CV 1
ASSI ! 944!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HE2 ))
4.300 2.300 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.55615E-03 ppm1 1.249 ppm2 2.076 CV 1
ASSI ! 949!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 61 and name HE2 ))
3.600 1.600 1.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.17713E-02 ppm1 1.147 ppm2 2.088 CV 1
ASSI ! 951!
(( segid " " and resid 61 and name HD1 ))
(( segid " " and resid 61 and name HG1 ))
2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.36592E-02 ppm1 0.991 ppm2 1.144 CV 1
ASSI ! 952!
(( segid " " and resid 61 and name HD2 ))
(( segid " " and resid 61 and name HG1 ))
2.200 0.600 0.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.42624E-02 ppm1 0.880 ppm2 1.138 CV 1
ASSI ! 953!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HG1 ))
3.300 1.300 1.300 peak 953 spectrum 1 weight 0.10000E+01 volume 0.20732E-02 ppm1 2.256 ppm2 1.132 CV 1
ASSI ! 955!
(( segid " " and resid 61 and name HG2 ))
(( segid " " and resid 61 and name HG1 ))
1.700 0.400 0.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.67477E-02 ppm1 0.739 ppm2 1.132 CV 1
ASSI ! 956!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 61 and name HG1 ))
4.300 2.300 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 0.246 ppm2 1.141 CV 1
ASSI ! 957!
(( segid " " and resid 99 and name HB1 ))
(( segid " " and resid 61 and name HG1 ))
4.800 2.900 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.53235E-03 ppm1 3.223 ppm2 1.132 CV 1
ASSI ! 960!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HG2 ))
2.800 1.000 1.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 1.099 ppm2 0.739 CV 1
ASSI ! 961!
(( segid " " and resid 61 and name HD1 ))
(( segid " " and resid 61 and name HG2 ))
2.600 0.800 0.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.39889E-02 ppm1 0.985 ppm2 0.745 CV 1
ASSI ! 962!
(( segid " " and resid 61 and name HD2 ))
(( segid " " and resid 61 and name HG2 ))
2.800 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.35152E-02 ppm1 0.880 ppm2 0.748 CV 1
ASSI ! 963!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 61 and name HG2 ))
2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.20971E-02 ppm1 2.259 ppm2 0.733 CV 1
ASSI ! 964!
(( segid " " and resid 61 and name HE2 ))
(( segid " " and resid 61 and name HG2 ))
2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.21687E-02 ppm1 2.091 ppm2 0.736 CV 1
ASSI ! 968!
(( segid " " and resid 60 and name HB2 ) or ( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 61 and name HN ))
2.600 0.800 0.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 2.034 ppm2 7.998 CV 1
ASSI ! 970!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 61 and name HN ))
3.700 1.700 1.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.82598E-03 ppm1 2.286 ppm2 7.992 CV 1
ASSI ! 978!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 61 and name HN ))
3.300 1.400 1.400 peak 978 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 0.925 ppm2 7.998 CV 1
ASSI ! 982!
(( segid " " and resid 62 and name HB1 ))
(( segid " " and resid 62 and name HA ))
2.500 0.800 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.27338E-02 ppm1 1.240 ppm2 5.629 CV 1
ASSI ! 983!
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HA ))
2.500 0.800 0.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.25202E-02 ppm1 0.853 ppm2 5.629 CV 1
ASSI ! 984!
(( segid " " and resid 62 and name HG1 ))
(( segid " " and resid 62 and name HA ))
4.000 2.000 2.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.66397E-03 ppm1 2.421 ppm2 5.629 CV 1
ASSI ! 985!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HA ))
4.100 2.100 1.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.66285E-03 ppm1 2.094 ppm2 5.626 CV 1
ASSI ! 986!
(( segid " " and resid 63 and name HB ))
(( segid " " and resid 62 and name HA ))
4.300 2.300 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.80925E-03 ppm1 1.785 ppm2 5.629 CV 1
ASSI ! 987!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 62 and name HA ))
4.900 3.000 1.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.63062E-03 ppm1 0.750 ppm2 5.632 CV 1
ASSI ! 988!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 62 and name HA ))
4.100 2.100 1.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.85792E-03 ppm1 0.645 ppm2 5.632 CV 1
ASSI ! 992!
(( segid " " and resid 62 and name HG1 ))
(( segid " " and resid 62 and name HB1 ))
3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 2.418 ppm2 1.243 CV 1
ASSI ! 993!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HB1 ))
2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 2.100 ppm2 1.243 CV 1
ASSI ! 994!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 62 and name HB1 ))
5.100 3.200 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.42412E-03 ppm1 1.833 ppm2 1.240 CV 1
ASSI ! 998!
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 62 and name HE# )
4.000 2.000 2.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.40709E-03 ppm1 2.451 ppm2 1.996 CV 1
ASSI ! 1000!
(( segid " " and resid 62 and name HB1 ))
( segid " " and resid 62 and name HE# )
4.700 2.800 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.45037E-03 ppm1 1.240 ppm2 2.007 CV 1
ASSI ! 1001!
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 62 and name HE# )
4.700 2.800 1.300 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.40462E-03 ppm1 0.859 ppm2 2.001 CV 1
ASSI ! 1003!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 62 and name HE# )
2.200 0.600 0.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.61081E-02 ppm1 0.616 ppm2 1.999 CV 1
ASSI ! 1005!
( segid " " and resid 74 and name HG1#)
( segid " " and resid 62 and name HE# )
2.400 0.700 0.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10728E-01 ppm1 0.968 ppm2 1.999 CV 1
ASSI ! 1006!
( segid " " and resid 74 and name HG2#)
( segid " " and resid 62 and name HE# )
2.800 1.000 1.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.54423E-02 ppm1 0.759 ppm2 1.999 CV 1
ASSI ! 1007!
( segid " " and resid 76 and name HD2#)
( segid " " and resid 62 and name HE# )
2.100 0.600 0.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.10459E-01 ppm1 0.923 ppm2 1.999 CV 1
ASSI ! 1008!
( segid " " and resid 96 and name HG2#)
( segid " " and resid 62 and name HE# )
2.600 2.600 3.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13271E-02 ppm1 0.642 ppm2 1.999 CV 1
ASSI ! 1010!
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HG1 ))
3.000 1.100 1.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.84085E-03 ppm1 0.853 ppm2 2.415 CV 1
ASSI ! 1011!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 62 and name HG1 ))
2.200 0.600 0.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.74990E-02 ppm1 1.999 ppm2 2.428 CV 1
ASSI ! 1013!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HG1 ))
1.600 0.300 0.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.90469E-02 ppm1 2.106 ppm2 2.421 CV 1
ASSI ! 1014!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 62 and name HG1 ))
2.600 0.800 0.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.29127E-02 ppm1 1.839 ppm2 2.418 CV 1
ASSI ! 1015!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 62 and name HG1 ))
4.000 2.000 2.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.16358E-02 ppm1 0.965 ppm2 2.424 CV 1
ASSI ! 1016!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 62 and name HG1 ))
3.700 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 0.756 ppm2 2.433 CV 1
ASSI ! 1018!
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HG2 ))
3.400 1.400 1.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 0.856 ppm2 2.106 CV 1
ASSI ! 1019!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 62 and name HG2 ))
4.800 2.800 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.61965E-03 ppm1 0.622 ppm2 2.100 CV 1
ASSI ! 1020!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 62 and name HG2 ))
2.600 0.900 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.27863E-02 ppm1 1.833 ppm2 2.109 CV 1
ASSI ! 1021!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 62 and name HG2 ))
3.800 1.800 1.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.98218E-03 ppm1 0.962 ppm2 2.085 CV 1
ASSI ! 1022!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 62 and name HG2 ))
4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 0.756 ppm2 2.115 CV 1
ASSI ! 1025!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 62 and name HN ))
2.400 0.700 0.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.27902E-02 ppm1 1.093 ppm2 9.050 CV 1
ASSI ! 1031!
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
2.800 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.14563E-02 ppm1 5.635 ppm2 9.050 CV 1
ASSI ! 1034!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 62 and name HN ))
4.100 2.100 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.16156E-02 ppm1 2.000 ppm2 9.042 CV 1
ASSI ! 1035!
(( segid " " and resid 62 and name HG1 ))
(( segid " " and resid 62 and name HN ))
2.800 1.000 1.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.35931E-02 ppm1 2.424 ppm2 9.053 CV 1
ASSI ! 1036!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HN ))
2.600 0.800 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.18668E-02 ppm1 2.103 ppm2 9.050 CV 1
ASSI ! 1037!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 62 and name HN ))
5.000 3.100 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.58946E-03 ppm1 0.757 ppm2 9.047 CV 1
ASSI ! 1038!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 62 and name HN ))
4.800 2.900 1.200 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.63681E-03 ppm1 0.619 ppm2 9.038 CV 1
ASSI ! 1039!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 62 and name HN ))
3.600 1.600 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 1.842 ppm2 9.050 CV 1
ASSI ! 1040!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 62 and name HN ))
4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 0.753 ppm2 9.035 CV 1
ASSI ! 1042!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 62 and name HN ))
4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.83259E-03 ppm1 0.922 ppm2 9.053 CV 1
ASSI ! 1043!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 62 and name HN ))
4.000 2.000 2.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.18279E-02 ppm1 0.938 ppm2 9.047 CV 1
ASSI ! 1046!
(( segid " " and resid 63 and name HB ))
(( segid " " and resid 63 and name HA ))
2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 1.776 ppm2 4.700 CV 1
ASSI ! 1047!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 63 and name HA ))
2.800 1.000 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.57239E-02 ppm1 0.762 ppm2 4.700 CV 1
ASSI ! 1048!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 63 and name HA ))
2.500 0.800 0.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.45564E-02 ppm1 0.243 ppm2 4.697 CV 1
ASSI ! 1049!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 63 and name HA ))
4.800 2.900 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.74770E-03 ppm1 0.619 ppm2 4.693 CV 1
ASSI ! 1052!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 63 and name HB ))
2.200 0.600 0.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.74317E-02 ppm1 0.759 ppm2 1.777 CV 1
ASSI ! 1053!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 63 and name HB ))
2.300 0.700 0.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.74226E-02 ppm1 0.246 ppm2 1.774 CV 1
ASSI ! 1058!
( segid " " and resid 63 and name HG2#)
( segid " " and resid 63 and name HG1#)
2.200 0.600 0.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.13180E-01 ppm1 0.249 ppm2 0.754 CV 1
ASSI ! 1064!
( segid " " and resid 65 and name HD1#)
( segid " " and resid 63 and name HG2#)
3.800 1.800 1.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 1.135 ppm2 0.254 CV 1
ASSI ! 1065!
( segid " " and resid 65 and name HD2#)
( segid " " and resid 63 and name HG2#)
2.500 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.59706E-02 ppm1 0.962 ppm2 0.242 CV 1
ASSI ! 1067!
(( segid " " and resid 73 and name HA ))
( segid " " and resid 63 and name HG2#)
4.400 2.400 1.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.50170E-03 ppm1 4.875 ppm2 0.250 CV 1
ASSI ! 1068!
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
2.100 0.500 0.500 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.65649E-02 ppm1 5.629 ppm2 9.185 CV 1
ASSI ! 1071!
(( segid " " and resid 63 and name HB ))
(( segid " " and resid 63 and name HN ))
2.600 0.800 0.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 1.776 ppm2 9.182 CV 1
ASSI ! 1072!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 63 and name HN ))
2.400 0.700 0.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.34793E-02 ppm1 0.759 ppm2 9.188 CV 1
ASSI ! 1074!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 63 and name HN ))
3.100 1.200 1.200 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.15358E-02 ppm1 0.639 ppm2 9.191 CV 1
ASSI ! 1075!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 64 and name HA ))
5.000 3.100 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.42977E-03 ppm1 0.943 ppm2 4.298 CV 1
ASSI ! 1078!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 64 and name HA ))
4.600 2.700 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.70126E-03 ppm1 0.613 ppm2 4.301 CV 1
ASSI ! 1079!
(( segid " " and resid 64 and name HG11))
(( segid " " and resid 64 and name HA ))
3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 1.432 ppm2 4.301 CV 1
ASSI ! 1080!
(( segid " " and resid 64 and name HG12))
(( segid " " and resid 64 and name HA ))
2.800 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 1.108 ppm2 4.301 CV 1
ASSI ! 1081!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 64 and name HA ))
2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.50075E-02 ppm1 0.685 ppm2 4.301 CV 1
ASSI ! 1082!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 64 and name HA ))
4.600 2.600 1.400 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 1.126 ppm2 4.295 CV 1
ASSI ! 1083!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 64 and name HA ))
3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.24268E-02 ppm1 0.947 ppm2 4.310 CV 1
ASSI ! 1084!
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 64 and name HA ))
2.500 0.800 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.26237E-02 ppm1 5.146 ppm2 4.301 CV 1
ASSI ! 1085!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 64 and name HA ))
2.600 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.26501E-02 ppm1 0.648 ppm2 4.301 CV 1
ASSI ! 1086!
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HB ))
5.000 3.100 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.52297E-03 ppm1 4.711 ppm2 1.902 CV 1
ASSI ! 1087!
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB ))
3.000 1.200 1.200 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 4.305 ppm2 1.887 CV 1
ASSI ! 1089!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 64 and name HB ))
2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 0.622 ppm2 1.897 CV 1
ASSI ! 1090!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 64 and name HB ))
2.100 0.500 0.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.79035E-02 ppm1 0.682 ppm2 1.894 CV 1
ASSI ! 1091!
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 64 and name HB ))
4.900 3.000 1.100 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.44439E-03 ppm1 4.873 ppm2 1.897 CV 1
ASSI ! 1094!
( segid " " and resid 41 and name HD2#)
( segid " " and resid 64 and name HD1#)
1.900 0.400 0.400 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.16321E-01 ppm1 0.911 ppm2 0.622 CV 1
ASSI ! 1100!
(( segid " " and resid 74 and name HB ))
( segid " " and resid 64 and name HD1#)
3.600 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.92076E-03 ppm1 1.836 ppm2 0.625 CV 1
ASSI ! 1101!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 64 and name HG11))
3.000 1.100 1.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.46254E-02 ppm1 1.996 ppm2 1.442 CV 1
ASSI ! 1102!
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HG11))
4.100 2.100 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.45108E-03 ppm1 4.708 ppm2 1.433 CV 1
ASSI ! 1104!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 64 and name HG11))
2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 1.899 ppm2 1.441 CV 1
ASSI ! 1105!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 64 and name HG11))
2.200 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.60881E-02 ppm1 0.619 ppm2 1.444 CV 1
ASSI ! 1106!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 64 and name HG11))
3.300 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.31473E-02 ppm1 0.679 ppm2 1.441 CV 1
ASSI ! 1107!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 64 and name HG12))
2.300 0.700 0.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.39717E-02 ppm1 0.937 ppm2 1.108 CV 1
ASSI ! 1109!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 64 and name HG12))
3.600 1.600 1.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.65699E-03 ppm1 1.908 ppm2 1.105 CV 1
ASSI ! 1110!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 64 and name HG12))
2.200 0.600 0.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.51665E-02 ppm1 0.622 ppm2 1.111 CV 1
ASSI ! 1114!
(( segid " " and resid 93 and name HA ))
( segid " " and resid 64 and name HG2#)
4.500 2.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.52990E-03 ppm1 3.832 ppm2 0.686 CV 1
ASSI ! 1115!
(( segid " " and resid 93 and name HB2 ))
( segid " " and resid 64 and name HG2#)
4.100 2.100 1.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.63411E-03 ppm1 1.902 ppm2 0.682 CV 1
ASSI ! 1116!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
( segid " " and resid 64 and name HG2#)
2.400 0.700 0.700 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.56724E-02 ppm1 2.430 ppm2 0.682 CV 1
ASSI ! 1117!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 64 and name HN ))
4.700 2.800 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 2.000 ppm2 9.233 CV 1
ASSI ! 1118!
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
2.100 0.500 0.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.67265E-02 ppm1 4.702 ppm2 9.246 CV 1
ASSI ! 1119!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 64 and name HN ))
3.200 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.35164E-02 ppm1 0.753 ppm2 9.236 CV 1
ASSI ! 1120!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 64 and name HN ))
2.800 1.000 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.37867E-02 ppm1 0.246 ppm2 9.242 CV 1
ASSI ! 1122!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 64 and name HN ))
2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.27251E-02 ppm1 1.896 ppm2 9.248 CV 1
ASSI ! 1127!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 64 and name HN ))
4.600 2.600 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.80746E-03 ppm1 1.135 ppm2 9.245 CV 1
ASSI ! 1132!
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HA ))
2.900 1.000 1.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.12441E-02 ppm1 2.160 ppm2 5.533 CV 1
ASSI ! 1133!
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HA ))
3.200 1.300 1.300 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 1.677 ppm2 5.527 CV 1
ASSI ! 1134!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 65 and name HA ))
4.700 2.800 1.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 1.135 ppm2 5.527 CV 1
ASSI ! 1135!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 65 and name HA ))
2.200 0.600 0.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.82740E-02 ppm1 0.959 ppm2 5.536 CV 1
ASSI ! 1136!
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 65 and name HA ))
3.600 1.600 1.600 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.83433E-03 ppm1 1.851 ppm2 5.542 CV 1
ASSI ! 1138!
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 65 and name HA ))
3.000 1.100 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 5.104 ppm2 5.530 CV 1
ASSI ! 1141!
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HB1 ))
1.900 0.400 0.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.55079E-02 ppm1 1.686 ppm2 2.166 CV 1
ASSI ! 1142!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 65 and name HB1 ))
3.000 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.22857E-02 ppm1 1.141 ppm2 2.169 CV 1
ASSI ! 1146!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 65 and name HB2 ))
2.900 1.100 1.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 1.141 ppm2 1.696 CV 1
ASSI ! 1147!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 65 and name HB2 ))
3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.82956E-02 ppm1 0.947 ppm2 1.684 CV 1
ASSI ! 1148!
(( segid " " and resid 94 and name HB1 ))
(( segid " " and resid 65 and name HB2 ))
4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.38914E-03 ppm1 2.907 ppm2 1.669 CV 1
ASSI ! 1149!
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 65 and name HB2 ))
5.300 3.500 0.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.46192E-03 ppm1 2.301 ppm2 1.681 CV 1
ASSI ! 1150!
(( segid " " and resid 117 and name HB1 ))
(( segid " " and resid 65 and name HB2 ))
4.600 2.600 1.400 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.56222E-03 ppm1 2.760 ppm2 1.681 CV 1
ASSI ! 1151!
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 65 and name HB2 ))
4.900 3.000 1.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.46432E-03 ppm1 2.577 ppm2 1.675 CV 1
ASSI ! 1161!
(( segid " " and resid 65 and name HB1 ))
( segid " " and resid 65 and name HD2#)
3.200 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 2.166 ppm2 0.955 CV 1
ASSI ! 1163!
( segid " " and resid 65 and name HD1#)
( segid " " and resid 65 and name HD2#)
2.300 0.700 0.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.12076E-01 ppm1 1.138 ppm2 0.952 CV 1
ASSI ! 1166!
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 65 and name HD2#)
3.900 1.900 1.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.85572E-03 ppm1 2.575 ppm2 0.955 CV 1
ASSI ! 1167!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 65 and name HG ))
3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 0.243 ppm2 1.867 CV 1
ASSI ! 1169!
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HG ))
3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.25409E-02 ppm1 2.160 ppm2 1.861 CV 1
ASSI ! 1170!
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HG ))
2.600 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.28369E-02 ppm1 1.680 ppm2 1.864 CV 1
ASSI ! 1171!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 65 and name HG ))
2.500 0.800 0.800 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.50989E-02 ppm1 1.138 ppm2 1.873 CV 1
ASSI ! 1172!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 65 and name HG ))
2.000 0.500 0.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.18995E-01 ppm1 0.953 ppm2 1.870 CV 1
ASSI ! 1176!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 65 and name HN ))
2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.40113E-02 ppm1 0.682 ppm2 9.119 CV 1
ASSI ! 1177!
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
2.900 1.000 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.17598E-02 ppm1 5.533 ppm2 9.113 CV 1
ASSI ! 1178!
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HN ))
3.700 1.700 1.700 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.18379E-02 ppm1 2.163 ppm2 9.119 CV 1
ASSI ! 1181!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 65 and name HN ))
3.700 1.700 1.700 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.24228E-02 ppm1 0.959 ppm2 9.110 CV 1
ASSI ! 1185!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 65 and name HN ))
4.400 2.400 1.600 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12649E-02 ppm1 0.642 ppm2 9.128 CV 1
ASSI ! 1187!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 66 and name HA ))
2.600 0.800 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.49693E-02 ppm1 1.040 ppm2 5.209 CV 1
ASSI ! 1189!
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
(( segid " " and resid 66 and name HA ))
4.600 2.700 1.400 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.63926E-03 ppm1 2.433 ppm2 5.206 CV 1
ASSI ! 1190!
(( segid " " and resid 94 and name HB1 ))
(( segid " " and resid 66 and name HA ))
3.500 1.500 1.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.65761E-03 ppm1 2.910 ppm2 5.206 CV 1
ASSI ! 1191!
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 66 and name HA ))
4.100 2.100 1.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.66251E-03 ppm1 2.298 ppm2 5.209 CV 1
ASSI ! 1192!
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB ))
2.400 0.700 0.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.30199E-02 ppm1 5.210 ppm2 4.154 CV 1
ASSI ! 1194!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 66 and name HB ))
2.100 0.500 0.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.93044E-02 ppm1 1.043 ppm2 4.154 CV 1
ASSI ! 1195!
(( segid " " and resid 65 and name HA ))
( segid " " and resid 66 and name HG2#)
3.800 1.800 1.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 5.527 ppm2 1.045 CV 1
ASSI ! 1199!
( segid " " and resid 89 and name HD2#)
( segid " " and resid 66 and name HG2#)
2.200 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.69267E-02 ppm1 0.225 ppm2 1.045 CV 1
ASSI ! 1201!
(( segid " " and resid 93 and name HB1 ))
( segid " " and resid 66 and name HG2#)
5.100 3.200 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.59075E-03 ppm1 2.079 ppm2 1.045 CV 1
ASSI ! 1202!
(( segid " " and resid 93 and name HB2 ))
( segid " " and resid 66 and name HG2#)
3.600 1.600 1.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.93239E-03 ppm1 1.914 ppm2 1.048 CV 1
ASSI ! 1203!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
( segid " " and resid 66 and name HG2#)
3.500 1.500 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.17517E-02 ppm1 2.436 ppm2 1.045 CV 1
ASSI ! 1213!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 66 and name HN ))
4.700 2.700 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.47251E-03 ppm1 4.924 ppm2 8.627 CV 1
ASSI ! 1214!
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HA ))
2.400 0.700 0.700 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.35473E-02 ppm1 2.019 ppm2 4.463 CV 1
ASSI ! 1215!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HA ))
3.300 1.300 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.16859E-02 ppm1 2.652 ppm2 4.469 CV 1
ASSI ! 1216!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HA ))
2.800 1.000 1.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 2.562 ppm2 4.469 CV 1
ASSI ! 1217!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 67 and name HA ))
3.700 1.800 1.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.83230E-03 ppm1 0.871 ppm2 4.478 CV 1
ASSI ! 1218!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 67 and name HA ))
2.300 0.700 0.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 4.909 ppm2 4.475 CV 1
ASSI ! 1220!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 2.640 ppm2 2.019 CV 1
ASSI ! 1221!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
2.600 0.900 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.24983E-02 ppm1 2.559 ppm2 2.019 CV 1
ASSI ! 1222!
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
5.500 3.800 0.500 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.27840E-03 ppm1 3.773 ppm2 2.025 CV 1
ASSI ! 1223!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
2.400 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 4.160 ppm2 2.019 CV 1
ASSI ! 1225!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
3.900 1.900 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.72577E-03 ppm1 0.874 ppm2 2.022 CV 1
ASSI ! 1226!
(( segid " " and resid 114 and name HA1 ))
(( segid " " and resid 67 and name HG1 ) or ( segid " " and resid 67 and name HG2 ))
3.800 1.800 1.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.40834E-03 ppm1 4.055 ppm2 2.610 CV 1
ASSI ! 1227!
(( segid " " and resid 114 and name HA2 ))
(( segid " " and resid 67 and name HG1 ) or ( segid " " and resid 67 and name HG2 ))
3.400 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.47641E-03 ppm1 3.188 ppm2 2.607 CV 1
ASSI ! 1230!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 67 and name HG1 ))
3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.16897E-02 ppm1 0.871 ppm2 2.649 CV 1
ASSI ! 1234!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 67 and name HN ))
3.800 1.800 1.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.22956E-02 ppm1 1.043 ppm2 8.582 CV 1
ASSI ! 1235!
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HN ))
2.200 0.600 0.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.66916E-02 ppm1 4.469 ppm2 8.578 CV 1
ASSI ! 1236!
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 67 and name HN ))
2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.59158E-02 ppm1 2.019 ppm2 8.579 CV 1
ASSI ! 1238!
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 68 and name HA ))
3.100 1.200 1.200 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.10498E-02 ppm1 3.197 ppm2 3.764 CV 1
ASSI ! 1239!
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HA ))
3.100 1.200 1.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.21525E-02 ppm1 2.838 ppm2 3.761 CV 1
ASSI ! 1240!
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 68 and name HA ))
2.600 0.800 0.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.35957E-02 ppm1 4.639 ppm2 3.767 CV 1
ASSI ! 1243!
(( segid " " and resid 90 and name HB1 ))
(( segid " " and resid 68 and name HB1 ))
3.200 1.300 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 1.671 ppm2 3.189 CV 1
ASSI ! 1247!
(( segid " " and resid 90 and name HB1 ))
(( segid " " and resid 68 and name HB2 ))
2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.89015E-03 ppm1 1.668 ppm2 2.835 CV 1
ASSI ! 1248!
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 68 and name HD21))
3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.70616E-03 ppm1 2.016 ppm2 7.848 CV 1
ASSI ! 1249!
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 68 and name HD21))
3.300 1.400 1.400 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.32364E-02 ppm1 3.194 ppm2 7.842 CV 1
ASSI ! 1250!
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HD21))
2.300 0.700 0.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.26506E-02 ppm1 2.841 ppm2 7.845 CV 1
ASSI ! 1251!
(( segid " " and resid 90 and name HB1 ))
(( segid " " and resid 68 and name HD21))
4.000 2.000 2.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.80833E-03 ppm1 1.671 ppm2 7.830 CV 1
ASSI ! 1252!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 68 and name HD21))
2.700 2.700 3.300 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 1.031 ppm2 7.833 CV 1
ASSI ! 1253!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 68 and name HD21))
2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 4.163 ppm2 7.839 CV 1
ASSI ! 1254!
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 68 and name HD21))
3.600 1.600 1.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11676E-02 ppm1 3.899 ppm2 7.836 CV 1
ASSI ! 1256!
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 68 and name HD22))
4.100 2.100 1.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.81913E-03 ppm1 2.019 ppm2 7.152 CV 1
ASSI ! 1258!
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HD22))
3.900 1.900 1.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.14080E-02 ppm1 2.841 ppm2 7.149 CV 1
ASSI ! 1259!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 68 and name HD22))
3.200 3.200 2.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.39835E-03 ppm1 1.031 ppm2 7.149 CV 1
ASSI ! 1260!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 68 and name HD22))
3.800 1.800 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.22718E-02 ppm1 4.166 ppm2 7.155 CV 1
ASSI ! 1261!
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 68 and name HD22))
3.800 1.800 1.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.21978E-02 ppm1 3.890 ppm2 7.155 CV 1
ASSI ! 1263!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 68 and name HN ))
3.900 1.900 1.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.26267E-02 ppm1 2.655 ppm2 8.579 CV 1
ASSI ! 1264!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 68 and name HN ))
3.400 1.500 1.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.34084E-02 ppm1 2.568 ppm2 8.579 CV 1
ASSI ! 1265!
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
2.400 0.700 0.700 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.35982E-02 ppm1 3.761 ppm2 8.579 CV 1
ASSI ! 1269!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 68 and name HN ))
3.600 1.600 1.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 0.871 ppm2 8.585 CV 1
ASSI ! 1270!
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 68 and name HN ))
2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.21548E-02 ppm1 4.645 ppm2 8.578 CV 1
ASSI ! 1273!
(( segid " " and resid 69 and name HB1 ) or ( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HA ))
2.600 0.800 0.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.44846E-02 ppm1 1.902 ppm2 3.932 CV 1
ASSI ! 1274!
(( segid " " and resid 69 and name HD2 ) or ( segid " " and resid 69 and name HD1 ))
(( segid " " and resid 69 and name HA ))
3.800 1.800 1.800 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.30086E-02 ppm1 1.530 ppm2 3.935 CV 1
ASSI ! 1275!
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
(( segid " " and resid 69 and name HA ))
3.400 1.500 1.500 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.22378E-02 ppm1 2.835 ppm2 3.923 CV 1
ASSI ! 1276!
(( segid " " and resid 69 and name HG1 ))
(( segid " " and resid 69 and name HA ))
3.000 1.100 1.100 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.36005E-02 ppm1 1.040 ppm2 3.941 CV 1
ASSI ! 1277!
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HA ))
2.700 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.26243E-02 ppm1 0.962 ppm2 3.947 CV 1
ASSI ! 1278!
(( segid " " and resid 69 and name HG1 ))
(( segid " " and resid 69 and name HB2 ) or ( segid " " and resid 69 and name HB1 ))
2.700 0.900 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.35324E-02 ppm1 1.046 ppm2 1.906 CV 1
ASSI ! 1279!
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB1 ))
2.600 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.27721E-02 ppm1 3.932 ppm2 1.927 CV 1
ASSI ! 1280!
(( segid " " and resid 69 and name HD2 ) or ( segid " " and resid 69 and name HD1 ))
(( segid " " and resid 69 and name HB1 ))
2.900 1.000 1.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.43284E-02 ppm1 1.530 ppm2 1.939 CV 1
ASSI ! 1281!
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
(( segid " " and resid 69 and name HB1 ))
3.200 1.300 1.300 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.23208E-02 ppm1 2.838 ppm2 1.936 CV 1
ASSI ! 1282!
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB2 ))
3.100 1.200 1.200 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 3.938 ppm2 1.894 CV 1
ASSI ! 1283!
(( segid " " and resid 69 and name HD2 ) or ( segid " " and resid 69 and name HD1 ))
(( segid " " and resid 69 and name HB2 ))
2.800 1.000 1.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.50752E-02 ppm1 1.533 ppm2 1.876 CV 1
ASSI ! 1284!
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
(( segid " " and resid 69 and name HB2 ))
2.900 1.100 1.100 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.27910E-02 ppm1 2.838 ppm2 1.885 CV 1
ASSI ! 1286!
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
2.400 0.700 0.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.78387E-02 ppm1 2.823 ppm2 1.525 CV 1
ASSI ! 1287!
(( segid " " and resid 69 and name HG1 ))
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
2.700 0.900 0.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.32703E-02 ppm1 1.052 ppm2 1.534 CV 1
ASSI ! 1288!
(( segid " " and resid 69 and name HB2 ) or ( segid " " and resid 69 and name HB1 ))
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
3.600 1.600 1.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.92080E-03 ppm1 1.908 ppm2 2.835 CV 1
ASSI ! 1291!
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HE1 ) or ( segid " " and resid 69 and name HE2 ))
3.500 1.500 1.500 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 0.947 ppm2 2.832 CV 1
ASSI ! 1294!
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
(( segid " " and resid 69 and name HG1 ))
3.400 1.400 1.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.829 ppm2 1.054 CV 1
ASSI ! 1297!
(( segid " " and resid 69 and name HD2 ) or ( segid " " and resid 69 and name HD1 ))
(( segid " " and resid 69 and name HG2 ))
2.600 0.800 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 1.530 ppm2 0.958 CV 1
ASSI ! 1300!
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HN ))
3.300 1.300 1.300 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.11191E-02 ppm1 3.770 ppm2 7.890 CV 1
ASSI ! 1301!
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HN ))
2.200 0.600 0.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.74936E-02 ppm1 3.935 ppm2 7.890 CV 1
ASSI ! 1302!
(( segid " " and resid 69 and name HB2 ) or ( segid " " and resid 69 and name HB1 ))
(( segid " " and resid 69 and name HN ))
4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.10745E-02 ppm1 1.908 ppm2 7.887 CV 1
ASSI ! 1304!
(( segid " " and resid 69 and name HG1 ))
(( segid " " and resid 69 and name HN ))
2.700 0.900 0.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.23418E-02 ppm1 1.043 ppm2 7.893 CV 1
ASSI ! 1305!
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HN ))
3.500 1.500 1.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.15721E-02 ppm1 0.953 ppm2 7.890 CV 1
ASSI ! 1307!
( segid " " and resid 90 and name HD1#)
(( segid " " and resid 70 and name HA1 ))
3.500 1.500 1.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.26470E-02 ppm1 0.947 ppm2 4.364 CV 1
ASSI ! 1309!
( segid " " and resid 90 and name HD1#)
(( segid " " and resid 70 and name HA2 ))
2.100 0.600 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.43974E-02 ppm1 0.944 ppm2 3.881 CV 1
ASSI ! 1310!
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 70 and name HN ))
4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.45951E-03 ppm1 5.215 ppm2 6.996 CV 1
ASSI ! 1312!
(( segid " " and resid 69 and name HB2 ) or ( segid " " and resid 69 and name HB1 ))
(( segid " " and resid 70 and name HN ))
4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.55943E-03 ppm1 1.911 ppm2 7.002 CV 1
ASSI ! 1314!
(( segid " " and resid 70 and name HA2 ))
(( segid " " and resid 70 and name HN ))
2.900 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 3.875 ppm2 6.999 CV 1
ASSI ! 1316!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 70 and name HN ))
2.800 2.800 3.200 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.83894E-03 ppm1 1.031 ppm2 6.999 CV 1
ASSI ! 1317!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 71 and name HA ))
4.000 2.000 2.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.75800E-03 ppm1 0.249 ppm2 5.101 CV 1
ASSI ! 1319!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 71 and name HA ))
2.800 0.900 0.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.36440E-02 ppm1 0.953 ppm2 5.092 CV 1
ASSI ! 1321!
(( segid " " and resid 71 and name HB1 ))
(( segid " " and resid 71 and name HA ))
3.200 1.300 1.300 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.24311E-02 ppm1 2.956 ppm2 5.092 CV 1
ASSI ! 1322!
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HA ))
2.600 0.900 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.28056E-02 ppm1 2.572 ppm2 5.095 CV 1
ASSI ! 1323!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 71 and name HB1 ))
5.100 3.200 0.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.68340E-03 ppm1 0.956 ppm2 2.961 CV 1
ASSI ! 1325!
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HB1 ))
1.700 0.400 0.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.12728E-01 ppm1 2.569 ppm2 2.961 CV 1
ASSI ! 1328!
( segid " " and resid 63 and name HG2#)
( segid " " and resid 71 and name HD# )
3.500 1.500 1.500 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 0.249 ppm2 6.897 CV 1
ASSI ! 1329!
( segid " " and resid 65 and name HD2#)
( segid " " and resid 71 and name HD# )
2.400 0.700 0.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.72166E-02 ppm1 0.959 ppm2 6.893 CV 1
ASSI ! 1330!
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 71 and name HD# )
3.000 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.26353E-02 ppm1 2.953 ppm2 6.897 CV 1
ASSI ! 1331!
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 71 and name HD# )
2.600 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.37216E-02 ppm1 2.575 ppm2 6.894 CV 1
ASSI ! 1332!
(( segid " " and resid 72 and name HA ))
( segid " " and resid 71 and name HD# )
3.900 1.900 1.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.41964E-03 ppm1 4.879 ppm2 6.885 CV 1
ASSI ! 1333!
( segid " " and resid 63 and name HG1#)
( segid " " and resid 71 and name HE# )
4.500 2.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.63332E-03 ppm1 0.753 ppm2 6.597 CV 1
ASSI ! 1334!
( segid " " and resid 63 and name HG2#)
( segid " " and resid 71 and name HE# )
3.200 1.300 1.300 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.16467E-02 ppm1 0.252 ppm2 6.606 CV 1
ASSI ! 1335!
( segid " " and resid 65 and name HD2#)
( segid " " and resid 71 and name HE# )
3.200 1.300 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.18644E-02 ppm1 0.959 ppm2 6.609 CV 1
ASSI ! 1336!
(( segid " " and resid 70 and name HA1 ))
(( segid " " and resid 71 and name HN ))
3.400 1.400 1.400 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.26745E-02 ppm1 4.361 ppm2 7.680 CV 1
ASSI ! 1343!
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HA ))
2.900 1.100 1.100 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.28741E-02 ppm1 2.692 ppm2 4.886 CV 1
ASSI ! 1344!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 72 and name HB1 ))
2.900 1.100 1.100 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.92524E-03 ppm1 0.483 ppm2 2.871 CV 1
ASSI ! 1345!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 72 and name HB1 ))
3.400 1.400 1.400 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.28710E-02 ppm1 1.899 ppm2 2.871 CV 1
ASSI ! 1346!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 72 and name HB1 ))
3.200 1.300 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.15992E-02 ppm1 0.616 ppm2 2.874 CV 1
ASSI ! 1347!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 72 and name HB1 ))
4.700 2.800 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.87628E-03 ppm1 0.682 ppm2 2.865 CV 1
ASSI ! 1348!
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB1 ))
2.700 0.900 0.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.14446E-02 ppm1 4.873 ppm2 2.874 CV 1
ASSI ! 1349!
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HB1 ))
1.700 0.400 0.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.60258E-02 ppm1 2.692 ppm2 2.865 CV 1
ASSI ! 1350!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 72 and name HB1 ))
3.400 1.500 1.500 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.70646E-03 ppm1 0.762 ppm2 2.871 CV 1
ASSI ! 1351!
( segid " " and resid 38 and name HD2#)
(( segid " " and resid 72 and name HB2 ))
3.000 1.100 1.100 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 0.489 ppm2 2.694 CV 1
ASSI ! 1352!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 72 and name HB2 ))
2.300 0.700 0.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.21928E-02 ppm1 1.896 ppm2 2.691 CV 1
ASSI ! 1353!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 72 and name HB2 ))
3.200 1.300 1.300 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 0.622 ppm2 2.697 CV 1
ASSI ! 1354!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 72 and name HB2 ))
4.000 2.000 2.000 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.62539E-03 ppm1 0.679 ppm2 2.694 CV 1
ASSI ! 1357!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 72 and name HB2 ))
2.500 2.500 3.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.15153E-02 ppm1 0.753 ppm2 2.691 CV 1
ASSI ! 1358!
( segid " " and resid 38 and name HD1#)
( segid " " and resid 72 and name HD# )
2.700 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.22764E-02 ppm1 0.839 ppm2 7.002 CV 1
ASSI ! 1359!
( segid " " and resid 38 and name HD2#)
( segid " " and resid 72 and name HD# )
3.900 1.900 1.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.13779E-02 ppm1 0.489 ppm2 7.008 CV 1
ASSI ! 1360!
(( segid " " and resid 64 and name HB ))
( segid " " and resid 72 and name HD# )
3.600 1.600 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.18261E-02 ppm1 1.902 ppm2 7.011 CV 1
ASSI ! 1361!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 72 and name HD# )
4.300 2.400 1.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 0.619 ppm2 7.017 CV 1
ASSI ! 1362!
( segid " " and resid 64 and name HG2#)
( segid " " and resid 72 and name HD# )
3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.30115E-02 ppm1 0.679 ppm2 7.014 CV 1
ASSI ! 1363!
(( segid " " and resid 66 and name HB ))
( segid " " and resid 72 and name HD# )
4.800 2.900 1.200 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.38589E-03 ppm1 4.151 ppm2 7.008 CV 1
ASSI ! 1364!
( segid " " and resid 66 and name HG2#)
( segid " " and resid 72 and name HD# )
2.500 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.35937E-02 ppm1 1.037 ppm2 7.014 CV 1
ASSI ! 1365!
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HD# )
3.000 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.14162E-02 ppm1 4.873 ppm2 7.014 CV 1
ASSI ! 1366!
(( segid " " and resid 72 and name HB1 ))
( segid " " and resid 72 and name HD# )
2.900 1.000 1.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.21823E-02 ppm1 2.866 ppm2 7.017 CV 1
ASSI ! 1367!
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HD# )
2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.24026E-02 ppm1 2.695 ppm2 7.017 CV 1
ASSI ! 1368!
( segid " " and resid 74 and name HG2#)
( segid " " and resid 72 and name HD# )
3.000 3.000 3.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.61907E-03 ppm1 0.762 ppm2 7.017 CV 1
ASSI ! 1369!
( segid " " and resid 87 and name HG2#)
( segid " " and resid 72 and name HD# )
3.500 1.500 1.500 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.19224E-02 ppm1 0.983 ppm2 7.005 CV 1
ASSI ! 1370!
( segid " " and resid 89 and name HD2#)
( segid " " and resid 72 and name HD# )
3.200 1.300 1.300 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.12175E-02 ppm1 0.231 ppm2 7.011 CV 1
ASSI ! 1371!
( segid " " and resid 38 and name HD2#)
( segid " " and resid 72 and name HE# )
5.100 3.200 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.47022E-03 ppm1 0.486 ppm2 6.810 CV 1
ASSI ! 1372!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 72 and name HE# )
5.600 3.900 0.400 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.29655E-03 ppm1 0.622 ppm2 6.792 CV 1
ASSI ! 1373!
( segid " " and resid 66 and name HG2#)
( segid " " and resid 72 and name HE# )
2.700 0.900 0.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.53688E-02 ppm1 1.034 ppm2 6.810 CV 1
ASSI ! 1374!
(( segid " " and resid 70 and name HA1 ))
( segid " " and resid 72 and name HE# )
3.200 1.300 1.300 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.77752E-03 ppm1 4.358 ppm2 6.804 CV 1
ASSI ! 1375!
(( segid " " and resid 70 and name HA2 ))
( segid " " and resid 72 and name HE# )
4.400 2.400 1.600 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.52795E-03 ppm1 3.875 ppm2 6.807 CV 1
ASSI ! 1376!
(( segid " " and resid 72 and name HB1 ))
( segid " " and resid 72 and name HE# )
5.500 3.800 0.500 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.24216E-03 ppm1 2.866 ppm2 6.807 CV 1
ASSI ! 1377!
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HE# )
4.900 3.000 1.100 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.46453E-03 ppm1 2.695 ppm2 6.810 CV 1
ASSI ! 1378!
( segid " " and resid 87 and name HG2#)
( segid " " and resid 72 and name HE# )
2.600 0.800 0.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.40768E-02 ppm1 0.986 ppm2 6.804 CV 1
ASSI ! 1379!
(( segid " " and resid 89 and name HA ))
( segid " " and resid 72 and name HE# )
4.000 2.000 2.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.46005E-03 ppm1 4.301 ppm2 6.795 CV 1
ASSI ! 1380!
( segid " " and resid 89 and name HD2#)
( segid " " and resid 72 and name HE# )
3.000 1.100 1.100 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.22273E-02 ppm1 0.234 ppm2 6.801 CV 1
ASSI ! 1381!
( segid " " and resid 90 and name HD2#)
( segid " " and resid 72 and name HE# )
3.100 3.100 2.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.44514E-03 ppm1 1.031 ppm2 6.816 CV 1
ASSI ! 1382!
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 72 and name HN ))
4.300 2.300 1.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.76327E-03 ppm1 4.697 ppm2 9.111 CV 1
ASSI ! 1383!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.18851E-02 ppm1 0.249 ppm2 9.098 CV 1
ASSI ! 1384!
(( segid " " and resid 64 and name HB ))
(( segid " " and resid 72 and name HN ))
3.000 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 1.899 ppm2 9.101 CV 1
ASSI ! 1385!
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
2.200 0.600 0.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.88446E-02 ppm1 5.101 ppm2 9.098 CV 1
ASSI ! 1391!
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 73 and name HA ))
2.500 0.800 0.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.32967E-02 ppm1 4.696 ppm2 4.880 CV 1
ASSI ! 1392!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 73 and name HA ))
3.900 1.900 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.31943E-02 ppm1 0.753 ppm2 4.877 CV 1
ASSI ! 1394!
(( segid " " and resid 73 and name HB ))
(( segid " " and resid 73 and name HA ))
2.700 0.900 0.900 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.21055E-02 ppm1 4.038 ppm2 4.869 CV 1
ASSI ! 1395!
( segid " " and resid 73 and name HG2#)
(( segid " " and resid 73 and name HA ))
2.800 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.75962E-02 ppm1 0.932 ppm2 4.877 CV 1
ASSI ! 1396!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 73 and name HB ))
5.100 3.300 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.51819E-03 ppm1 0.764 ppm2 4.022 CV 1
ASSI ! 1397!
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HB ))
5.000 3.100 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 4.882 ppm2 4.025 CV 1
ASSI ! 1400!
( segid " " and resid 73 and name HG2#)
(( segid " " and resid 73 and name HB ))
2.100 0.600 0.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 0.926 ppm2 4.025 CV 1
ASSI ! 1404!
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
2.100 0.500 0.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.86660E-02 ppm1 4.873 ppm2 9.023 CV 1
ASSI ! 1407!
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HN ))
2.800 1.000 1.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 4.876 ppm2 9.024 CV 1
ASSI ! 1409!
( segid " " and resid 73 and name HG2#)
(( segid " " and resid 73 and name HN ))
2.700 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.23824E-02 ppm1 0.929 ppm2 9.029 CV 1
ASSI ! 1410!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HA ))
3.200 1.200 1.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 1.845 ppm2 4.427 CV 1
ASSI ! 1411!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 74 and name HA ))
2.400 0.700 0.700 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.60333E-02 ppm1 0.974 ppm2 4.424 CV 1
ASSI ! 1412!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 74 and name HA ))
2.400 0.700 0.700 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.59810E-02 ppm1 0.762 ppm2 4.424 CV 1
ASSI ! 1413!
( segid " " and resid 62 and name HE# )
(( segid " " and resid 74 and name HB ))
2.100 0.500 0.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.97475E-02 ppm1 1.997 ppm2 1.845 CV 1
ASSI ! 1417!
( segid " " and resid 74 and name HG1#)
(( segid " " and resid 74 and name HB ))
2.100 0.600 0.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.91536E-02 ppm1 0.971 ppm2 1.837 CV 1
ASSI ! 1418!
( segid " " and resid 74 and name HG2#)
(( segid " " and resid 74 and name HB ))
2.200 0.600 0.600 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.78416E-02 ppm1 0.759 ppm2 1.840 CV 1
ASSI ! 1424!
( segid " " and resid 64 and name HD1#)
( segid " " and resid 74 and name HG2#)
2.200 0.600 0.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.86482E-02 ppm1 0.622 ppm2 0.745 CV 1
ASSI ! 1428!
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 74 and name HN ))
4.300 2.300 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.48862E-03 ppm1 5.065 ppm2 9.233 CV 1
ASSI ! 1429!
(( segid " " and resid 62 and name HG1 ))
(( segid " " and resid 74 and name HN ))
3.200 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.93264E-03 ppm1 2.424 ppm2 9.230 CV 1
ASSI ! 1430!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 74 and name HN ))
3.500 1.500 1.500 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 2.100 ppm2 9.230 CV 1
ASSI ! 1435!
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HN ))
2.600 0.800 0.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 1.839 ppm2 9.239 CV 1
ASSI ! 1437!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 74 and name HN ))
2.800 2.800 3.200 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.80792E-03 ppm1 0.925 ppm2 9.227 CV 1
ASSI ! 1439!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 75 and name HA ))
3.100 1.200 1.200 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.20388E-02 ppm1 1.258 ppm2 4.523 CV 1
ASSI ! 1440!
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 75 and name HA ))
2.400 0.700 0.700 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 1.093 ppm2 4.526 CV 1
ASSI ! 1442!
(( segid " " and resid 75 and name HB1 ))
(( segid " " and resid 75 and name HA ))
2.500 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.24551E-02 ppm1 3.349 ppm2 4.520 CV 1
ASSI ! 1443!
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HA ))
3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.18122E-02 ppm1 3.055 ppm2 4.526 CV 1
ASSI ! 1444!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 75 and name HA ))
2.600 2.600 3.400 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.14190E-02 ppm1 0.925 ppm2 4.526 CV 1
ASSI ! 1445!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 75 and name HA ))
1.900 1.900 4.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.98401E-02 ppm1 0.920 ppm2 4.529 CV 1
ASSI ! 1447!
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HB1 ))
1.700 0.300 0.500 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.12339E-01 ppm1 3.058 ppm2 3.351 CV 1
ASSI ! 1448!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 75 and name HB1 ))
3.900 1.900 1.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.74466E-03 ppm1 1.178 ppm2 3.348 CV 1
ASSI ! 1451!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 75 and name HB2 ))
3.700 1.700 1.700 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 1.175 ppm2 3.054 CV 1
ASSI ! 1452!
(( segid " " and resid 60 and name HG1 ))
( segid " " and resid 75 and name HD# )
4.000 2.000 2.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.95631E-03 ppm1 2.463 ppm2 7.290 CV 1
ASSI ! 1453!
(( segid " " and resid 60 and name HG2 ))
( segid " " and resid 75 and name HD# )
3.300 1.300 1.300 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 2.292 ppm2 7.290 CV 1
ASSI ! 1454!
(( segid " " and resid 61 and name HB1 ))
( segid " " and resid 75 and name HD# )
3.200 1.300 1.300 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.61708E-03 ppm1 1.267 ppm2 7.293 CV 1
ASSI ! 1455!
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 75 and name HD# )
4.300 2.300 1.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.23334E-03 ppm1 1.105 ppm2 7.290 CV 1
ASSI ! 1456!
(( segid " " and resid 61 and name HE1 ))
( segid " " and resid 75 and name HD# )
5.200 3.300 0.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.45124E-03 ppm1 2.256 ppm2 7.284 CV 1
ASSI ! 1457!
(( segid " " and resid 61 and name HE2 ))
( segid " " and resid 75 and name HD# )
4.600 2.700 1.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.36019E-03 ppm1 2.097 ppm2 7.284 CV 1
ASSI ! 1458!
( segid " " and resid 73 and name HG2#)
( segid " " and resid 75 and name HD# )
3.500 1.600 1.600 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.14697E-02 ppm1 0.926 ppm2 7.293 CV 1
ASSI ! 1459!
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HD# )
3.300 1.300 1.300 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 4.522 ppm2 7.295 CV 1
ASSI ! 1460!
(( segid " " and resid 75 and name HB1 ))
( segid " " and resid 75 and name HD# )
2.800 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.28993E-02 ppm1 3.349 ppm2 7.290 CV 1
ASSI ! 1461!
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 75 and name HD# )
2.700 0.900 0.900 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.24873E-02 ppm1 3.055 ppm2 7.293 CV 1
ASSI ! 1462!
(( segid " " and resid 60 and name HG1 ))
( segid " " and resid 75 and name HE# )
5.000 3.100 1.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.41445E-03 ppm1 2.463 ppm2 6.789 CV 1
ASSI ! 1463!
(( segid " " and resid 60 and name HG2 ))
( segid " " and resid 75 and name HE# )
4.000 2.000 2.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.70504E-03 ppm1 2.289 ppm2 6.783 CV 1
ASSI ! 1464!
(( segid " " and resid 61 and name HD1 ))
( segid " " and resid 75 and name HE# )
4.100 2.100 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.59656E-03 ppm1 0.991 ppm2 6.786 CV 1
ASSI ! 1465!
(( segid " " and resid 61 and name HD2 ))
( segid " " and resid 75 and name HE# )
5.300 3.600 0.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.38669E-03 ppm1 0.880 ppm2 6.786 CV 1
ASSI ! 1466!
(( segid " " and resid 61 and name HE1 ))
( segid " " and resid 75 and name HE# )
4.600 2.600 1.400 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.44343E-03 ppm1 2.259 ppm2 6.798 CV 1
ASSI ! 1467!
(( segid " " and resid 61 and name HE2 ))
( segid " " and resid 75 and name HE# )
4.000 2.000 2.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.36371E-03 ppm1 2.085 ppm2 6.786 CV 1
ASSI ! 1468!
( segid " " and resid 73 and name HG2#)
( segid " " and resid 75 and name HE# )
3.200 1.300 1.300 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.18743E-02 ppm1 0.932 ppm2 6.792 CV 1
ASSI ! 1475!
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HN ))
2.200 0.600 0.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.50154E-02 ppm1 3.067 ppm2 9.380 CV 1
ASSI ! 1477!
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HA ))
2.600 0.800 0.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.27833E-02 ppm1 1.698 ppm2 4.526 CV 1
ASSI ! 1478!
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HA ))
3.100 1.200 1.200 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.24465E-02 ppm1 1.557 ppm2 4.526 CV 1
ASSI ! 1479!
(( segid " " and resid 76 and name HG ))
(( segid " " and resid 76 and name HA ))
3.100 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 1.504 ppm2 4.523 CV 1
ASSI ! 1480!
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 76 and name HB1 ))
4.300 2.300 1.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.75953E-03 ppm1 4.481 ppm2 1.705 CV 1
ASSI ! 1481!
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 76 and name HB1 ))
5.500 3.800 0.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.41249E-03 ppm1 5.074 ppm2 1.693 CV 1
ASSI ! 1483!
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 76 and name HB2 ))
3.200 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.94123E-03 ppm1 4.484 ppm2 1.552 CV 1
ASSI ! 1484!
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 76 and name HB2 ))
3.500 1.600 1.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.69964E-03 ppm1 5.077 ppm2 1.561 CV 1
ASSI ! 1486!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.900 1.900 1.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.61263E-03 ppm1 3.863 ppm2 0.919 CV 1
ASSI ! 1487!
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
4.200 2.200 1.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.93168E-03 ppm1 1.929 ppm2 0.919 CV 1
ASSI ! 1488!
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.400 1.400 1.400 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.38929E-02 ppm1 1.755 ppm2 0.916 CV 1
ASSI ! 1489!
(( segid " " and resid 46 and name HD1 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.800 1.800 1.800 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.11168E-02 ppm1 3.299 ppm2 0.925 CV 1
ASSI ! 1490!
(( segid " " and resid 46 and name HD2 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
4.700 2.800 1.300 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.64989E-03 ppm1 2.841 ppm2 0.928 CV 1
ASSI ! 1491!
(( segid " " and resid 46 and name HG2 ) or ( segid " " and resid 46 and name HG1 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.000 1.100 1.100 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 1.414 ppm2 0.919 CV 1
ASSI ! 1492!
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
2.700 0.900 0.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 2.998 ppm2 0.925 CV 1
ASSI ! 1493!
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.200 1.300 1.300 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.17845E-02 ppm1 2.812 ppm2 0.928 CV 1
ASSI ! 1494!
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
4.300 2.300 1.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.87856E-03 ppm1 4.478 ppm2 0.928 CV 1
ASSI ! 1495!
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
3.600 1.600 1.600 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.19255E-02 ppm1 5.074 ppm2 0.919 CV 1
ASSI ! 1496!
(( segid " " and resid 62 and name HG1 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
3.700 1.700 1.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 2.418 ppm2 0.922 CV 1
ASSI ! 1497!
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.22306E-02 ppm1 2.097 ppm2 0.925 CV 1
ASSI ! 1498!
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HD2#) or ( segid " " and resid 76 and name HD1#))
2.300 0.700 0.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.66438E-02 ppm1 4.535 ppm2 0.919 CV 1
ASSI ! 1499!
(( segid " " and resid 76 and name HG ))
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 76 and name HD2#))
2.100 0.600 0.600 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.61874E-02 ppm1 1.498 ppm2 0.916 CV 1
ASSI ! 1502!
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HG ))
4.200 2.200 1.800 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.78300E-03 ppm1 4.524 ppm2 1.507 CV 1
ASSI ! 1505!
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 76 and name HN ))
1.800 0.400 0.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.31042E-02 ppm1 5.068 ppm2 8.525 CV 1
ASSI ! 1506!
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 76 and name HN ))
4.100 2.100 1.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.79056E-03 ppm1 1.267 ppm2 8.522 CV 1
ASSI ! 1508!
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
2.000 0.500 0.500 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.58273E-02 ppm1 4.528 ppm2 8.525 CV 1
ASSI ! 1509!
(( segid " " and resid 75 and name HB1 ))
(( segid " " and resid 76 and name HN ))
3.300 1.400 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 3.349 ppm2 8.525 CV 1
ASSI ! 1511!
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HN ))
2.800 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.15370E-02 ppm1 4.526 ppm2 8.525 CV 1
ASSI ! 1512!
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HN ))
3.500 1.500 1.500 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.19171E-02 ppm1 1.701 ppm2 8.522 CV 1
ASSI ! 1513!
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HN ))
2.300 0.700 0.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.25903E-02 ppm1 1.557 ppm2 8.525 CV 1
ASSI ! 1514!
( segid " " and resid 76 and name HD1#)
(( segid " " and resid 76 and name HN ))
3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 0.925 ppm2 8.525 CV 1
ASSI ! 1515!
( segid " " and resid 76 and name HD2#)
(( segid " " and resid 76 and name HN ))
3.700 1.700 1.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.16396E-02 ppm1 0.932 ppm2 8.528 CV 1
ASSI ! 1517!
(( segid " " and resid 60 and name HB1 ) or ( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 77 and name HA ))
4.400 2.500 1.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.12282E-02 ppm1 2.037 ppm2 4.610 CV 1
ASSI ! 1519!
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 77 and name HA ))
2.600 0.900 0.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.82727E-02 ppm1 3.185 ppm2 4.616 CV 1
ASSI ! 1520!
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 77 and name HA ))
2.300 0.700 0.700 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.80846E-02 ppm1 3.047 ppm2 4.616 CV 1
ASSI ! 1523!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 77 and name HB1 ))
3.700 1.700 1.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.64013E-03 ppm1 1.175 ppm2 3.180 CV 1
ASSI ! 1526!
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HD21))
4.200 2.200 1.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.82225E-03 ppm1 4.612 ppm2 7.746 CV 1
ASSI ! 1527!
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 77 and name HD21))
2.700 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.32422E-02 ppm1 3.179 ppm2 7.743 CV 1
ASSI ! 1528!
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 77 and name HD21))
2.900 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.26477E-02 ppm1 3.044 ppm2 7.743 CV 1
ASSI ! 1529!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 77 and name HD21))
3.600 1.600 1.600 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 1.178 ppm2 7.755 CV 1
ASSI ! 1530!
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 77 and name HD22))
4.000 2.000 2.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 3.182 ppm2 6.984 CV 1
ASSI ! 1531!
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 77 and name HD22))
4.200 2.200 1.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 3.047 ppm2 6.984 CV 1
ASSI ! 1532!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 77 and name HD22))
3.700 1.700 1.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.13308E-02 ppm1 1.172 ppm2 6.993 CV 1
ASSI ! 1533!
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 77 and name HN ))
3.400 1.500 1.500 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 4.521 ppm2 8.594 CV 1
ASSI ! 1534!
(( segid " " and resid 75 and name HB1 ))
(( segid " " and resid 77 and name HN ))
2.800 0.900 0.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.17154E-02 ppm1 3.349 ppm2 8.600 CV 1
ASSI ! 1540!
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HN ))
2.700 0.900 0.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.42163E-02 ppm1 4.615 ppm2 8.600 CV 1
ASSI ! 1541!
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 77 and name HN ))
2.700 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 3.182 ppm2 8.597 CV 1
ASSI ! 1543!
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 77 and name HN ))
5.200 3.400 0.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.31283E-03 ppm1 4.827 ppm2 8.598 CV 1
ASSI ! 1545!
(( segid " " and resid 79 and name HD1 ))
(( segid " " and resid 78 and name HA ))
1.800 0.400 0.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.11706E-01 ppm1 3.803 ppm2 4.835 CV 1
ASSI ! 1547!
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB ))
2.300 0.700 0.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.69694E-02 ppm1 4.830 ppm2 4.251 CV 1
ASSI ! 1549!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 78 and name HB ))
2.100 0.500 0.500 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.19029E-01 ppm1 1.175 ppm2 4.250 CV 1
ASSI ! 1550!
(( segid " " and resid 79 and name HD1 ))
(( segid " " and resid 78 and name HB ))
3.200 1.300 1.300 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.43870E-02 ppm1 3.797 ppm2 4.250 CV 1
ASSI ! 1551!
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 78 and name HB ))
2.300 0.700 0.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.77706E-02 ppm1 3.680 ppm2 4.253 CV 1
ASSI ! 1554!
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HG2#)
2.600 0.900 0.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.46482E-02 ppm1 4.830 ppm2 1.177 CV 1
ASSI ! 1557!
(( segid " " and resid 79 and name HD1 ))
( segid " " and resid 78 and name HG2#)
4.400 2.400 1.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 3.800 ppm2 1.174 CV 1
ASSI ! 1558!
(( segid " " and resid 79 and name HD2 ))
( segid " " and resid 78 and name HG2#)
4.000 2.000 2.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.21853E-02 ppm1 3.677 ppm2 1.180 CV 1
ASSI ! 1560!
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 78 and name HN ))
3.700 1.700 1.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.83051E-03 ppm1 3.058 ppm2 7.434 CV 1
ASSI ! 1561!
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 78 and name HN ))
3.400 1.400 1.400 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 4.532 ppm2 7.425 CV 1
ASSI ! 1562!
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
3.100 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.28203E-02 ppm1 4.621 ppm2 7.425 CV 1
ASSI ! 1567!
( segid " " and resid 78 and name HG2#)
(( segid " " and resid 78 and name HN ))
2.600 0.800 0.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.74483E-02 ppm1 1.175 ppm2 7.428 CV 1
ASSI ! 1568!
(( segid " " and resid 79 and name HD1 ))
(( segid " " and resid 78 and name HN ))
4.300 2.300 1.700 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.90946E-03 ppm1 3.800 ppm2 7.431 CV 1
ASSI ! 1570!
(( segid " " and resid 79 and name HG1 ))
(( segid " " and resid 79 and name HA ))
3.000 1.100 1.100 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 2.010 ppm2 4.463 CV 1
ASSI ! 1572!
(( segid " " and resid 79 and name HB1 ))
(( segid " " and resid 79 and name HA ))
2.000 0.500 0.500 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.10378E-01 ppm1 2.307 ppm2 4.457 CV 1
ASSI ! 1573!
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HA ))
2.800 0.900 0.900 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.58473E-02 ppm1 1.788 ppm2 4.463 CV 1
ASSI ! 1574!
(( segid " " and resid 79 and name HD1 ))
(( segid " " and resid 79 and name HA ))
3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 3.809 ppm2 4.463 CV 1
ASSI ! 1575!
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 79 and name HA ))
4.100 2.100 1.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.70222E-03 ppm1 3.671 ppm2 4.460 CV 1
ASSI ! 1576!
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HA ))
3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.27859E-02 ppm1 1.911 ppm2 4.463 CV 1
ASSI ! 1577!
(( segid " " and resid 80 and name HB1 ))
(( segid " " and resid 79 and name HA ))
4.100 2.100 1.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 1.548 ppm2 4.460 CV 1
ASSI ! 1578!
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 79 and name HA ))
5.300 3.500 0.700 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.92163E-03 ppm1 1.399 ppm2 4.457 CV 1
ASSI ! 1580!
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HB1 ))
1.600 0.300 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.20696E-01 ppm1 1.782 ppm2 2.310 CV 1
ASSI ! 1583!
(( segid " " and resid 79 and name HG1 ))
(( segid " " and resid 79 and name HB1 ))
2.300 0.600 0.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.63448E-02 ppm1 2.004 ppm2 2.316 CV 1
ASSI ! 1584!
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HB1 ))
2.600 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.60188E-02 ppm1 1.914 ppm2 2.313 CV 1
ASSI ! 1588!
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 79 and name HB2 ))
3.000 1.100 1.100 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.24483E-02 ppm1 3.677 ppm2 1.780 CV 1
ASSI ! 1592!
(( segid " " and resid 79 and name HB1 ))
(( segid " " and resid 79 and name HD1 ))
4.400 2.400 1.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 2.310 ppm2 3.800 CV 1
ASSI ! 1593!
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HD1 ))
3.900 1.900 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.19575E-02 ppm1 1.785 ppm2 3.797 CV 1
ASSI ! 1595!
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HD1 ))
2.700 0.900 0.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.46777E-02 ppm1 1.905 ppm2 3.803 CV 1
ASSI ! 1596!
(( segid " " and resid 79 and name HG1 ))
(( segid " " and resid 79 and name HD2 ))
2.900 1.100 1.100 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.57571E-02 ppm1 2.013 ppm2 3.677 CV 1
ASSI ! 1597!
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HD2 ))
2.800 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.66314E-02 ppm1 4.829 ppm2 3.680 CV 1
ASSI ! 1600!
(( segid " " and resid 79 and name HB1 ))
(( segid " " and resid 79 and name HD2 ))
4.000 2.000 2.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.18416E-02 ppm1 2.310 ppm2 3.674 CV 1
ASSI ! 1603!
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HD2 ))
2.400 0.700 0.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.40399E-02 ppm1 1.908 ppm2 3.680 CV 1
ASSI ! 1604!
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HG1 ))
4.900 3.100 1.100 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 4.822 ppm2 2.011 CV 1
ASSI ! 1605!
(( segid " " and resid 78 and name HB ))
(( segid " " and resid 79 and name HG1 ))
5.800 4.200 0.200 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.53335E-03 ppm1 4.241 ppm2 2.013 CV 1
ASSI ! 1607!
(( segid " " and resid 79 and name HD1 ))
(( segid " " and resid 79 and name HG1 ))
2.400 0.700 0.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.37998E-02 ppm1 3.803 ppm2 2.013 CV 1
ASSI ! 1609!
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HG2 ))
5.500 3.800 0.500 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.76863E-03 ppm1 4.828 ppm2 1.913 CV 1
ASSI ! 1613!
(( segid " " and resid 80 and name HB1 ))
(( segid " " and resid 80 and name HA ))
2.800 0.900 0.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.23056E-02 ppm1 1.539 ppm2 4.085 CV 1
ASSI ! 1614!
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HA ))
2.400 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.38883E-02 ppm1 1.399 ppm2 4.076 CV 1
ASSI ! 1615!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 80 and name HA ))
4.600 2.700 1.400 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 0.703 ppm2 4.070 CV 1
ASSI ! 1616!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 80 and name HA ))
3.100 1.200 1.200 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.87491E-02 ppm1 0.914 ppm2 4.082 CV 1
ASSI ! 1617!
(( segid " " and resid 80 and name HG ))
(( segid " " and resid 80 and name HA ))
3.800 1.900 1.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 1.812 ppm2 4.082 CV 1
ASSI ! 1618!
( segid " " and resid 81 and name HB# )
(( segid " " and resid 80 and name HA ))
3.900 1.900 1.900 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.27491E-02 ppm1 1.494 ppm2 4.083 CV 1
ASSI ! 1621!
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HB1 ))
1.500 0.300 0.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.12232E-01 ppm1 1.396 ppm2 1.540 CV 1
ASSI ! 1622!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 80 and name HB1 ))
2.500 0.800 0.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.47550E-02 ppm1 0.691 ppm2 1.549 CV 1
ASSI ! 1623!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 80 and name HB1 ))
2.600 0.800 0.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.35339E-02 ppm1 0.917 ppm2 1.534 CV 1
ASSI ! 1627!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 80 and name HB2 ))
2.200 0.600 0.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.66696E-02 ppm1 0.700 ppm2 1.408 CV 1
ASSI ! 1628!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 80 and name HB2 ))
3.100 1.200 1.200 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.57185E-02 ppm1 0.917 ppm2 1.405 CV 1
ASSI ! 1637!
(( segid " " and resid 84 and name HB1 ))
( segid " " and resid 80 and name HD1#)
3.600 1.600 1.600 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 2.187 ppm2 0.709 CV 1
ASSI ! 1638!
(( segid " " and resid 84 and name HB2 ))
( segid " " and resid 80 and name HD1#)
2.800 1.000 1.000 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 1.731 ppm2 0.703 CV 1
ASSI ! 1639!
(( segid " " and resid 85 and name HA ))
( segid " " and resid 80 and name HD1#)
3.000 1.100 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.50112E-02 ppm1 3.552 ppm2 0.709 CV 1
ASSI ! 1640!
(( segid " " and resid 85 and name HB2 ) or ( segid " " and resid 85 and name HB1 ))
( segid " " and resid 80 and name HD1#)
4.400 2.400 1.600 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 1.839 ppm2 0.712 CV 1
ASSI ! 1642!
(( segid " " and resid 85 and name HG2 ))
( segid " " and resid 80 and name HD1#)
2.700 0.900 0.900 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.30589E-02 ppm1 1.318 ppm2 0.706 CV 1
ASSI ! 1644!
( segid " " and resid 80 and name HD1#)
( segid " " and resid 80 and name HD2#)
2.300 0.700 0.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.93422E-02 ppm1 0.703 ppm2 0.913 CV 1
ASSI ! 1647!
(( segid " " and resid 84 and name HB2 ))
( segid " " and resid 80 and name HD2#)
4.700 2.800 1.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.10840E-02 ppm1 1.728 ppm2 0.910 CV 1
ASSI ! 1650!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 80 and name HG ))
2.300 0.700 0.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.61974E-02 ppm1 0.703 ppm2 1.813 CV 1
ASSI ! 1651!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 80 and name HG ))
2.200 0.600 0.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.77328E-02 ppm1 0.914 ppm2 1.810 CV 1
ASSI ! 1654!
(( segid " " and resid 79 and name HB1 ))
(( segid " " and resid 80 and name HN ))
3.000 1.200 1.200 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.31711E-02 ppm1 2.307 ppm2 9.053 CV 1
ASSI ! 1655!
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 80 and name HN ))
3.300 1.400 1.400 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.24199E-02 ppm1 1.785 ppm2 9.047 CV 1
ASSI ! 1657!
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 80 and name HN ))
3.500 3.500 2.500 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.22484E-03 ppm1 3.689 ppm2 9.047 CV 1
ASSI ! 1661!
(( segid " " and resid 80 and name HB1 ))
(( segid " " and resid 80 and name HN ))
2.100 0.500 0.500 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.59311E-02 ppm1 1.542 ppm2 9.050 CV 1
ASSI ! 1662!
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HN ))
2.900 1.100 1.100 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.61205E-02 ppm1 1.402 ppm2 9.047 CV 1
ASSI ! 1664!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 80 and name HN ))
2.500 0.800 0.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 0.914 ppm2 9.047 CV 1
ASSI ! 1667!
( segid " " and resid 81 and name HB# )
(( segid " " and resid 81 and name HA ))
2.100 0.600 0.600 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.17675E-01 ppm1 1.496 ppm2 4.184 CV 1
ASSI ! 1668!
(( segid " " and resid 82 and name HG2 ) or ( segid " " and resid 82 and name HG1 ))
(( segid " " and resid 81 and name HA ))
4.400 2.400 1.600 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 2.385 ppm2 4.190 CV 1
ASSI ! 1671!
(( segid " " and resid 82 and name HB1 ) or ( segid " " and resid 82 and name HB2 ))
( segid " " and resid 81 and name HB# )
4.200 2.200 1.800 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.20680E-02 ppm1 2.085 ppm2 1.495 CV 1
ASSI ! 1672!
(( segid " " and resid 84 and name HD1 ))
( segid " " and resid 81 and name HB# )
4.100 2.100 1.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.21628E-02 ppm1 3.428 ppm2 1.498 CV 1
ASSI ! 1673!
(( segid " " and resid 84 and name HD2 ))
( segid " " and resid 81 and name HB# )
3.300 1.300 1.300 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 3.173 ppm2 1.498 CV 1
ASSI ! 1681!
( segid " " and resid 81 and name HB# )
(( segid " " and resid 81 and name HN ))
2.100 0.500 0.500 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.16936E-01 ppm1 1.496 ppm2 8.416 CV 1
ASSI ! 1683!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.91274E-03 ppm1 3.179 ppm2 8.414 CV 1
ASSI ! 1684!
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HA ))
3.700 1.700 1.700 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 4.184 ppm2 3.815 CV 1
ASSI ! 1685!
(( segid " " and resid 82 and name HB2 ) or ( segid " " and resid 82 and name HB1 ))
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.11395E-01 ppm1 2.079 ppm2 3.815 CV 1
ASSI ! 1686!
(( segid " " and resid 82 and name HG1 ) or ( segid " " and resid 82 and name HG2 ))
(( segid " " and resid 82 and name HA ))
2.800 1.000 1.000 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.50565E-02 ppm1 2.385 ppm2 3.815 CV 1
ASSI ! 1687!
(( segid " " and resid 85 and name HD2 ) or ( segid " " and resid 85 and name HD1 ))
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.67103E-02 ppm1 1.683 ppm2 3.809 CV 1
ASSI ! 1688!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 82 and name HA ))
2.500 0.800 0.800 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.27472E-02 ppm1 1.650 ppm2 3.812 CV 1
ASSI ! 1689!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 82 and name HA ))
4.100 2.100 1.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16026E-02 ppm1 1.322 ppm2 3.802 CV 1
ASSI ! 1690!
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HB1 ) or ( segid " " and resid 82 and name HB2 ))
4.600 2.600 1.400 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 4.184 ppm2 2.076 CV 1
ASSI ! 1694!
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HN ))
2.000 0.500 0.500 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.17325E-01 ppm1 4.187 ppm2 8.741 CV 1
ASSI ! 1695!
( segid " " and resid 81 and name HB# )
(( segid " " and resid 82 and name HN ))
2.300 0.700 0.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.97006E-02 ppm1 1.495 ppm2 8.737 CV 1
ASSI ! 1696!
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HN ))
2.400 0.700 0.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.52741E-02 ppm1 3.814 ppm2 8.738 CV 1
ASSI ! 1697!
(( segid " " and resid 82 and name HB1 ) or ( segid " " and resid 82 and name HB2 ))
(( segid " " and resid 82 and name HN ))
2.200 0.600 0.600 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.15142E-01 ppm1 2.082 ppm2 8.732 CV 1
ASSI ! 1698!
(( segid " " and resid 82 and name HG2 ) or ( segid " " and resid 82 and name HG1 ))
(( segid " " and resid 82 and name HN ))
2.400 0.700 0.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.71526E-02 ppm1 2.388 ppm2 8.741 CV 1
ASSI ! 1700!
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 83 and name HA ))
2.500 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.93629E-02 ppm1 2.835 ppm2 4.427 CV 1
ASSI ! 1701!
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HA ))
2.400 0.700 0.700 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.99269E-02 ppm1 2.682 ppm2 4.424 CV 1
ASSI ! 1703!
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HB1 ))
1.600 0.300 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.26952E-01 ppm1 2.682 ppm2 2.829 CV 1
ASSI ! 1714!
( segid " " and resid 38 and name HD1#)
(( segid " " and resid 84 and name HA ))
3.800 1.800 1.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.13364E-02 ppm1 0.842 ppm2 4.517 CV 1
ASSI ! 1715!
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 84 and name HA ))
2.300 0.600 0.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.32117E-02 ppm1 2.190 ppm2 4.529 CV 1
ASSI ! 1716!
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HA ))
3.000 1.100 1.100 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 1.737 ppm2 4.526 CV 1
ASSI ! 1717!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HA ))
4.100 2.100 1.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 3.431 ppm2 4.529 CV 1
ASSI ! 1718!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HA ))
4.900 3.000 1.100 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.45440E-03 ppm1 3.185 ppm2 4.526 CV 1
ASSI ! 1720!
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HA ))
2.400 0.700 0.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.26950E-02 ppm1 1.629 ppm2 4.526 CV 1
ASSI ! 1721!
(( segid " " and resid 87 and name HB ))
(( segid " " and resid 84 and name HA ))
2.600 0.800 0.800 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.94028E-03 ppm1 2.067 ppm2 4.526 CV 1
ASSI ! 1722!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 84 and name HA ))
2.100 0.500 0.500 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.12063E-01 ppm1 1.148 ppm2 4.529 CV 1
ASSI ! 1724!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 84 and name HB1 ))
4.600 2.700 1.400 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.24354E-02 ppm1 0.914 ppm2 2.190 CV 1
ASSI ! 1725!
(( segid " " and resid 80 and name HG ))
(( segid " " and resid 84 and name HB1 ))
5.000 3.100 1.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.65500E-03 ppm1 1.815 ppm2 2.181 CV 1
ASSI ! 1727!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HB1 ))
2.800 1.000 1.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 3.437 ppm2 2.184 CV 1
ASSI ! 1728!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HB1 ))
3.300 1.300 1.300 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 3.179 ppm2 2.184 CV 1
ASSI ! 1729!
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HB1 ))
2.400 0.700 0.700 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.30474E-02 ppm1 1.626 ppm2 2.190 CV 1
ASSI ! 1730!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 84 and name HB1 ))
2.800 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 1.142 ppm2 2.181 CV 1
ASSI ! 1732!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HB2 ))
3.100 1.200 1.200 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.14676E-02 ppm1 3.434 ppm2 1.726 CV 1
ASSI ! 1733!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HB2 ))
2.600 0.800 0.800 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 3.182 ppm2 1.726 CV 1
ASSI ! 1734!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 84 and name HD1 ))
5.500 3.800 0.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.86008E-03 ppm1 0.917 ppm2 3.429 CV 1
ASSI ! 1742!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 84 and name HD2 ))
4.300 2.400 1.700 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.25098E-02 ppm1 0.911 ppm2 3.183 CV 1
ASSI ! 1748!
(( segid " " and resid 84 and name HG1 ))
(( segid " " and resid 84 and name HD2 ))
2.400 0.700 0.700 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 1.935 ppm2 3.180 CV 1
ASSI ! 1750!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HE ))
3.600 1.600 1.600 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.46557E-03 ppm1 3.440 ppm2 7.167 CV 1
ASSI ! 1751!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HE ))
3.500 1.600 1.600 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.56977E-03 ppm1 3.179 ppm2 7.158 CV 1
ASSI ! 1752!
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HG1 ))
2.900 1.100 1.100 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.25020E-02 ppm1 4.520 ppm2 1.933 CV 1
ASSI ! 1753!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HG1 ))
2.800 0.900 0.900 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 3.437 ppm2 1.936 CV 1
ASSI ! 1756!
(( segid " " and resid 84 and name HD1 ))
(( segid " " and resid 84 and name HG2 ))
2.400 0.700 0.700 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.29956E-02 ppm1 3.431 ppm2 1.627 CV 1
ASSI ! 1757!
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HG2 ))
3.100 1.200 1.200 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 3.179 ppm2 1.633 CV 1
ASSI ! 1758!
(( segid " " and resid 84 and name HG1 ))
(( segid " " and resid 84 and name HG2 ))
1.600 0.300 0.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.96395E-02 ppm1 1.932 ppm2 1.624 CV 1
ASSI ! 1763!
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HN ))
3.300 1.300 1.300 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.19322E-02 ppm1 4.424 ppm2 7.800 CV 1
ASSI ! 1771!
(( segid " " and resid 84 and name HG1 ))
(( segid " " and resid 84 and name HN ))
2.200 0.600 0.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.33319E-02 ppm1 1.935 ppm2 7.800 CV 1
ASSI ! 1774!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 84 and name HN ))
3.600 1.600 1.600 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.84056E-03 ppm1 1.641 ppm2 7.806 CV 1
ASSI ! 1777!
(( segid " " and resid 39 and name HA2 ))
(( segid " " and resid 85 and name HA ))
3.100 1.200 1.200 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.25108E-02 ppm1 3.761 ppm2 3.551 CV 1
ASSI ! 1779!
( segid " " and resid 80 and name HD2#)
(( segid " " and resid 85 and name HA ))
4.900 3.000 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.58522E-03 ppm1 0.923 ppm2 3.557 CV 1
ASSI ! 1781!
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HA ))
2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.38591E-02 ppm1 1.842 ppm2 3.554 CV 1
ASSI ! 1782!
(( segid " " and resid 85 and name HD1 ) or ( segid " " and resid 85 and name HD2 ))
(( segid " " and resid 85 and name HA ))
4.000 2.000 2.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 1.677 ppm2 3.548 CV 1
ASSI ! 1783!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 85 and name HA ))
3.000 1.200 1.200 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.18710E-02 ppm1 1.644 ppm2 3.548 CV 1
ASSI ! 1784!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 85 and name HA ))
2.300 0.700 0.700 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 1.318 ppm2 3.551 CV 1
ASSI ! 1786!
(( segid " " and resid 39 and name HA2 ))
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
5.100 3.200 0.900 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.85859E-03 ppm1 3.773 ppm2 1.840 CV 1
ASSI ! 1788!
(( segid " " and resid 39 and name HA1 ))
(( segid " " and resid 85 and name HD1 ) or ( segid " " and resid 85 and name HD2 ))
5.300 3.500 0.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.58510E-03 ppm1 3.962 ppm2 1.657 CV 1
ASSI ! 1789!
(( segid " " and resid 39 and name HA2 ))
(( segid " " and resid 85 and name HD1 ) or ( segid " " and resid 85 and name HD2 ))
5.700 4.100 0.300 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.39564E-03 ppm1 3.782 ppm2 1.657 CV 1
ASSI ! 1792!
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HE1 ))
4.300 2.400 1.700 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.74699E-03 ppm1 1.842 ppm2 2.991 CV 1
ASSI ! 1793!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 85 and name HE1 ))
3.500 1.500 1.500 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.12973E-02 ppm1 1.647 ppm2 2.973 CV 1
ASSI ! 1794!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 85 and name HE1 ))
3.000 1.100 1.100 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.20135E-02 ppm1 1.315 ppm2 2.979 CV 1
ASSI ! 1795!
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 85 and name HE2 ))
3.800 1.800 1.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 3.820 ppm2 2.881 CV 1
ASSI ! 1796!
(( segid " " and resid 85 and name HD2 ) or ( segid " " and resid 85 and name HD1 ))
(( segid " " and resid 85 and name HE2 ))
2.700 0.900 0.900 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.34742E-02 ppm1 1.677 ppm2 2.889 CV 1
ASSI ! 1797!
(( segid " " and resid 85 and name HG1 ))
(( segid " " and resid 85 and name HE2 ))
3.600 1.600 1.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.10615E-02 ppm1 1.641 ppm2 2.886 CV 1
ASSI ! 1798!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 85 and name HE2 ))
3.600 1.600 1.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.79039E-03 ppm1 1.315 ppm2 2.889 CV 1
ASSI ! 1799!
( segid " " and resid 80 and name HD1#)
(( segid " " and resid 85 and name HG1 ))
3.000 1.100 1.100 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.22021E-02 ppm1 0.700 ppm2 1.648 CV 1
ASSI ! 1801!
(( segid " " and resid 39 and name HA2 ))
(( segid " " and resid 85 and name HG2 ))
4.000 2.000 2.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.43068E-03 ppm1 3.770 ppm2 1.318 CV 1
ASSI ! 1804!
(( segid " " and resid 85 and name HB1 ) or ( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HG2 ))
2.600 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.38544E-02 ppm1 1.839 ppm2 1.318 CV 1
ASSI ! 1806!
( segid " " and resid 81 and name HB# )
(( segid " " and resid 85 and name HN ))
4.500 2.500 1.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.84002E-03 ppm1 1.495 ppm2 7.328 CV 1
ASSI ! 1808!
(( segid " " and resid 82 and name HB2 ) or ( segid " " and resid 82 and name HB1 ))
(( segid " " and resid 85 and name HN ))
4.500 2.500 1.500 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.74151E-03 ppm1 2.085 ppm2 7.329 CV 1
ASSI ! 1810!
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 85 and name HN ))
2.700 0.900 0.900 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.27937E-02 ppm1 4.524 ppm2 7.329 CV 1
ASSI ! 1814!
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 85 and name HN ))
5.000 3.200 1.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.59303E-03 ppm1 1.635 ppm2 7.338 CV 1
ASSI ! 1816!
(( segid " " and resid 85 and name HB2 ) or ( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 85 and name HN ))
2.200 0.600 0.600 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.74142E-02 ppm1 1.857 ppm2 7.332 CV 1
ASSI ! 1819!
(( segid " " and resid 85 and name HG2 ))
(( segid " " and resid 85 and name HN ))
3.600 1.600 1.600 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.21677E-02 ppm1 1.324 ppm2 7.338 CV 1
ASSI ! 1821!
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 86 and name HA ))
3.000 1.200 1.200 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 4.508 ppm2 4.880 CV 1
ASSI ! 1822!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 86 and name HA ))
2.600 0.900 0.900 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.56807E-02 ppm1 1.148 ppm2 4.886 CV 1
ASSI ! 1823!
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 86 and name HA ))
2.500 0.800 0.800 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.68390E-02 ppm1 3.015 ppm2 4.886 CV 1
ASSI ! 1824!
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HA ))
2.900 1.000 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.35095E-02 ppm1 2.703 ppm2 4.889 CV 1
ASSI ! 1825!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 86 and name HB1 ))
4.300 2.300 1.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 1.147 ppm2 3.003 CV 1
ASSI ! 1828!
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 86 and name HD21))
3.100 1.200 1.200 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.27425E-02 ppm1 3.009 ppm2 7.587 CV 1
ASSI ! 1829!
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HD21))
2.600 0.900 0.900 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.43949E-02 ppm1 2.703 ppm2 7.587 CV 1
ASSI ! 1831!
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HD22))
3.700 1.700 1.700 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 2.703 ppm2 6.909 CV 1
ASSI ! 1833!
(( segid " " and resid 85 and name HB2 ) or ( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 86 and name HN ))
2.900 1.100 1.100 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.25743E-02 ppm1 1.857 ppm2 8.345 CV 1
ASSI ! 1834!
(( segid " " and resid 85 and name HD1 ) or ( segid " " and resid 85 and name HD2 ))
(( segid " " and resid 86 and name HN ))
2.900 2.900 3.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.70695E-03 ppm1 1.677 ppm2 8.342 CV 1
ASSI ! 1836!
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HN ))
2.800 1.000 1.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.32681E-02 ppm1 4.894 ppm2 8.351 CV 1
ASSI ! 1837!
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 86 and name HN ))
3.000 1.100 1.100 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.26857E-02 ppm1 3.015 ppm2 8.348 CV 1
ASSI ! 1838!
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HN ))
2.800 1.000 1.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 2.706 ppm2 8.348 CV 1
ASSI ! 1841!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 87 and name HA ))
3.800 1.800 1.800 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.10816E-02 ppm1 1.151 ppm2 3.746 CV 1
ASSI ! 1843!
(( segid " " and resid 87 and name HB ))
(( segid " " and resid 87 and name HA ))
2.700 0.900 0.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.22302E-02 ppm1 2.064 ppm2 3.740 CV 1
ASSI ! 1844!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 87 and name HA ))
2.500 0.800 0.800 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.11993E-01 ppm1 1.151 ppm2 3.746 CV 1
ASSI ! 1845!
( segid " " and resid 87 and name HG2#)
(( segid " " and resid 87 and name HA ))
2.500 0.800 0.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.75609E-02 ppm1 0.986 ppm2 3.746 CV 1
ASSI ! 1846!
(( segid " " and resid 88 and name HB1 ) or ( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 87 and name HA ))
4.300 2.300 1.700 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.19565E-02 ppm1 1.968 ppm2 3.746 CV 1
ASSI ! 1847!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 87 and name HB ))
3.500 1.500 1.500 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 1.009 ppm2 2.076 CV 1
ASSI ! 1848!
( segid " " and resid 38 and name HD1#)
(( segid " " and resid 87 and name HB ))
3.700 1.700 1.700 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.25437E-02 ppm1 0.844 ppm2 2.073 CV 1
ASSI ! 1851!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 87 and name HB ))
1.900 0.400 0.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.14571E-01 ppm1 1.148 ppm2 2.061 CV 1
ASSI ! 1852!
( segid " " and resid 87 and name HG2#)
(( segid " " and resid 87 and name HB ))
2.000 0.500 0.500 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.12526E-01 ppm1 0.989 ppm2 2.064 CV 1
ASSI ! 1860!
(( segid " " and resid 88 and name HB1 ) or ( segid " " and resid 88 and name HB2 ))
( segid " " and resid 87 and name HG2#)
4.400 2.400 1.600 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 1.971 ppm2 0.985 CV 1
ASSI ! 1861!
(( segid " " and resid 89 and name HA ))
( segid " " and resid 87 and name HG2#)
2.900 2.900 3.100 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.67323E-03 ppm1 4.301 ppm2 0.985 CV 1
ASSI ! 1862!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 87 and name HN ))
3.600 1.600 1.600 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 1.148 ppm2 6.981 CV 1
ASSI ! 1864!
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 87 and name HN ))
4.300 2.300 1.700 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.75629E-03 ppm1 1.018 ppm2 6.981 CV 1
ASSI ! 1865!
(( segid " " and resid 38 and name HG ))
(( segid " " and resid 87 and name HN ))
5.400 3.700 0.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.51873E-03 ppm1 1.423 ppm2 6.993 CV 1
ASSI ! 1870!
( segid " " and resid 87 and name HG1#)
(( segid " " and resid 87 and name HN ))
1.800 0.400 0.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.16948E-01 ppm1 1.148 ppm2 6.987 CV 1
ASSI ! 1872!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 88 and name HA ))
2.700 0.900 0.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.42857E-02 ppm1 1.148 ppm2 4.340 CV 1
ASSI ! 1873!
(( segid " " and resid 88 and name HB2 ) or ( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HA ))
2.400 0.700 0.700 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.80057E-02 ppm1 1.971 ppm2 4.337 CV 1
ASSI ! 1874!
(( segid " " and resid 88 and name HG1 ))
(( segid " " and resid 88 and name HA ))
3.400 1.400 1.400 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 2.364 ppm2 4.331 CV 1
ASSI ! 1875!
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 88 and name HA ))
2.900 1.100 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 2.235 ppm2 4.331 CV 1
ASSI ! 1879!
(( segid " " and resid 88 and name HG1 ))
(( segid " " and resid 88 and name HB1 ) or ( segid " " and resid 88 and name HB2 ))
2.400 0.700 0.700 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.88949E-02 ppm1 2.358 ppm2 1.975 CV 1
ASSI ! 1880!
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 88 and name HB2 ) or ( segid " " and resid 88 and name HB1 ))
2.300 0.600 0.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15439E-01 ppm1 2.232 ppm2 1.975 CV 1
ASSI ! 1885!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 88 and name HN ))
4.000 2.000 2.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.77673E-03 ppm1 5.233 ppm2 8.765 CV 1
ASSI ! 1887!
(( segid " " and resid 87 and name HB ))
(( segid " " and resid 88 and name HN ))
4.300 2.300 1.700 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 2.070 ppm2 8.774 CV 1
ASSI ! 1892!
(( segid " " and resid 88 and name HG1 ))
(( segid " " and resid 88 and name HN ))
2.900 1.000 1.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 2.361 ppm2 8.780 CV 1
ASSI ! 1893!
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 88 and name HN ))
3.400 1.500 1.500 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.20265E-02 ppm1 2.229 ppm2 8.783 CV 1
ASSI ! 1895!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 89 and name HA ))
2.600 0.800 0.800 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.23139E-02 ppm1 1.758 ppm2 4.307 CV 1
ASSI ! 1896!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HA ))
2.900 1.000 1.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.31827E-02 ppm1 1.545 ppm2 4.304 CV 1
ASSI ! 1897!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 89 and name HA ))
4.300 2.300 1.700 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 0.631 ppm2 4.304 CV 1
ASSI ! 1898!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 89 and name HA ))
2.000 0.500 0.500 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.95328E-02 ppm1 0.228 ppm2 4.304 CV 1
ASSI ! 1899!
(( segid " " and resid 89 and name HG ))
(( segid " " and resid 89 and name HA ))
3.100 1.200 1.200 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 1.309 ppm2 4.310 CV 1
ASSI ! 1901!
(( segid " " and resid 90 and name HG ))
(( segid " " and resid 89 and name HA ))
4.100 2.100 1.900 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 1.857 ppm2 4.298 CV 1
ASSI ! 1904!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HB1 ))
1.700 0.400 0.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.87852E-02 ppm1 1.548 ppm2 1.747 CV 1
ASSI ! 1905!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 89 and name HB1 ))
2.400 0.700 0.700 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.66920E-02 ppm1 0.643 ppm2 1.756 CV 1
ASSI ! 1908!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 89 and name HB2 ))
2.500 0.800 0.800 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.42765E-02 ppm1 0.643 ppm2 1.543 CV 1
ASSI ! 1909!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 89 and name HB2 ))
3.200 1.300 1.300 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.48310E-02 ppm1 0.231 ppm2 1.546 CV 1
ASSI ! 1911!
(( segid " " and resid 36 and name HA ))
( segid " " and resid 89 and name HD1#)
3.000 1.100 1.100 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 4.446 ppm2 0.640 CV 1
ASSI ! 1914!
(( segid " " and resid 41 and name HB1 ))
( segid " " and resid 89 and name HD1#)
3.200 1.300 1.300 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 1.746 ppm2 0.643 CV 1
ASSI ! 1918!
( segid " " and resid 89 and name HD2#)
( segid " " and resid 89 and name HD1#)
2.100 0.500 0.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.13984E-01 ppm1 0.228 ppm2 0.643 CV 1
ASSI ! 1923!
(( segid " " and resid 38 and name HB1 ))
( segid " " and resid 89 and name HD2#)
5.100 3.300 0.900 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.58934E-03 ppm1 2.145 ppm2 0.224 CV 1
ASSI ! 1926!
( segid " " and resid 41 and name HD1#)
( segid " " and resid 89 and name HD2#)
3.200 1.200 1.200 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.18481E-02 ppm1 0.814 ppm2 0.230 CV 1
ASSI ! 1928!
(( segid " " and resid 89 and name HB1 ))
( segid " " and resid 89 and name HD2#)
3.000 1.100 1.100 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 1.761 ppm2 0.227 CV 1
ASSI ! 1933!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 89 and name HG ))
3.000 1.100 1.100 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.98106E-03 ppm1 5.232 ppm2 1.308 CV 1
ASSI ! 1934!
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 89 and name HG ))
3.800 1.800 1.800 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.91814E-03 ppm1 4.341 ppm2 1.307 CV 1
ASSI ! 1936!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 89 and name HG ))
2.900 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.31212E-02 ppm1 1.755 ppm2 1.315 CV 1
ASSI ! 1937!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HG ))
2.400 0.700 0.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.35419E-02 ppm1 1.548 ppm2 1.309 CV 1
ASSI ! 1938!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 89 and name HG ))
2.400 0.700 0.700 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.48202E-02 ppm1 0.643 ppm2 1.306 CV 1
ASSI ! 1939!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 89 and name HG ))
2.200 0.600 0.600 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.72764E-02 ppm1 0.231 ppm2 1.309 CV 1
ASSI ! 1940!
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 89 and name HN ))
3.900 1.900 1.900 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.44518E-03 ppm1 4.432 ppm2 8.219 CV 1
ASSI ! 1941!
( segid " " and resid 36 and name HG2#)
(( segid " " and resid 89 and name HN ))
4.400 2.400 1.600 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.41685E-03 ppm1 1.193 ppm2 8.234 CV 1
ASSI ! 1942!
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 89 and name HN ))
3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 5.230 ppm2 8.231 CV 1
ASSI ! 1943!
( segid " " and resid 37 and name HG2#)
(( segid " " and resid 89 and name HN ))
3.900 1.900 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.15331E-02 ppm1 1.145 ppm2 8.234 CV 1
ASSI ! 1945!
(( segid " " and resid 88 and name HB2 ) or ( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 89 and name HN ))
3.000 1.100 1.100 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 1.974 ppm2 8.240 CV 1
ASSI ! 1946!
(( segid " " and resid 88 and name HG1 ))
(( segid " " and resid 89 and name HN ))
4.900 3.100 1.100 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 2.367 ppm2 8.225 CV 1
ASSI ! 1947!
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 89 and name HN ))
4.500 2.500 1.500 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 2.226 ppm2 8.228 CV 1
ASSI ! 1949!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 89 and name HN ))
3.400 1.500 1.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.32433E-02 ppm1 1.755 ppm2 8.234 CV 1
ASSI ! 1950!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HN ))
2.600 0.900 0.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.19855E-02 ppm1 1.542 ppm2 8.231 CV 1
ASSI ! 1951!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 89 and name HN ))
3.900 1.900 1.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.17423E-02 ppm1 0.634 ppm2 8.231 CV 1
ASSI ! 1952!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 89 and name HN ))
3.700 1.700 1.700 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.24573E-02 ppm1 0.231 ppm2 8.228 CV 1
ASSI ! 1954!
(( segid " " and resid 90 and name HB1 ))
(( segid " " and resid 90 and name HA ))
2.600 0.800 0.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 1.671 ppm2 4.133 CV 1
ASSI ! 1955!
(( segid " " and resid 90 and name HB2 ))
(( segid " " and resid 90 and name HA ))
2.900 1.000 1.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.28238E-02 ppm1 1.545 ppm2 4.145 CV 1
ASSI ! 1956!
( segid " " and resid 90 and name HD1#)
(( segid " " and resid 90 and name HA ))
4.100 2.100 1.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.27979E-02 ppm1 0.944 ppm2 4.130 CV 1
ASSI ! 1957!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 90 and name HA ))
2.000 0.500 0.500 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.17191E-01 ppm1 1.031 ppm2 4.133 CV 1
ASSI ! 1961!
(( segid " " and resid 70 and name HA1 ))
(( segid " " and resid 90 and name HB1 ))
4.700 2.800 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.35177E-03 ppm1 4.370 ppm2 1.666 CV 1
ASSI ! 1963!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 90 and name HB1 ))
2.300 0.700 0.700 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.74907E-02 ppm1 1.028 ppm2 1.675 CV 1
ASSI ! 1964!
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 90 and name HB2 ))
5.100 3.200 0.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.67821E-03 ppm1 3.197 ppm2 1.540 CV 1
ASSI ! 1965!
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 90 and name HB2 ))
4.300 2.300 1.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.44634E-03 ppm1 2.832 ppm2 1.531 CV 1
ASSI ! 1966!
(( segid " " and resid 70 and name HA1 ))
(( segid " " and resid 90 and name HB2 ))
2.700 0.900 0.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.51819E-03 ppm1 4.367 ppm2 1.549 CV 1
ASSI ! 1967!
(( segid " " and resid 70 and name HA2 ))
(( segid " " and resid 90 and name HB2 ))
3.300 1.400 1.400 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.70741E-03 ppm1 3.872 ppm2 1.549 CV 1
ASSI ! 1968!
( segid " " and resid 90 and name HD1#)
(( segid " " and resid 90 and name HB2 ))
2.300 0.700 0.700 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.72473E-02 ppm1 0.949 ppm2 1.546 CV 1
ASSI ! 1972!
(( segid " " and resid 90 and name HB1 ))
( segid " " and resid 90 and name HD1#)
2.500 0.800 0.800 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.46445E-02 ppm1 1.665 ppm2 0.940 CV 1
ASSI ! 1974!
(( segid " " and resid 90 and name HG ))
( segid " " and resid 90 and name HD1#)
2.100 0.500 0.500 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.10143E-01 ppm1 1.872 ppm2 0.955 CV 1
ASSI ! 1975!
(( segid " " and resid 68 and name HB2 ))
( segid " " and resid 90 and name HD2#)
4.900 3.000 1.100 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.48679E-03 ppm1 2.835 ppm2 1.027 CV 1
ASSI ! 1976!
(( segid " " and resid 70 and name HA1 ))
( segid " " and resid 90 and name HD2#)
5.800 4.200 0.200 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.72946E-03 ppm1 4.364 ppm2 1.033 CV 1
ASSI ! 1977!
(( segid " " and resid 70 and name HA2 ))
( segid " " and resid 90 and name HD2#)
5.800 4.100 0.200 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.61455E-03 ppm1 3.875 ppm2 1.027 CV 1
ASSI ! 1978!
(( segid " " and resid 89 and name HA ))
( segid " " and resid 90 and name HD2#)
5.200 3.300 0.800 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.66019E-03 ppm1 4.298 ppm2 1.021 CV 1
ASSI ! 1981!
(( segid " " and resid 90 and name HB2 ))
( segid " " and resid 90 and name HD2#)
3.300 1.400 1.400 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.39666E-02 ppm1 1.545 ppm2 1.042 CV 1
ASSI ! 1985!
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HG ))
2.800 1.000 1.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.31490E-02 ppm1 4.133 ppm2 1.873 CV 1
ASSI ! 1986!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 90 and name HG ))
2.000 0.500 0.500 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.13578E-01 ppm1 1.034 ppm2 1.876 CV 1
ASSI ! 1987!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 90 and name HN ))
4.200 2.200 1.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.68648E-03 ppm1 1.034 ppm2 7.776 CV 1
ASSI ! 1988!
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 90 and name HN ))
2.000 0.500 0.500 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.65051E-02 ppm1 4.295 ppm2 7.776 CV 1
ASSI ! 1989!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 90 and name HN ))
3.000 1.200 1.200 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 1.755 ppm2 7.773 CV 1
ASSI ! 1992!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 90 and name HN ))
3.400 1.500 1.500 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.25051E-02 ppm1 0.234 ppm2 7.776 CV 1
ASSI ! 1993!
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HN ))
2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.25654E-02 ppm1 4.136 ppm2 7.779 CV 1
ASSI ! 1994!
(( segid " " and resid 90 and name HB1 ))
(( segid " " and resid 90 and name HN ))
3.400 1.400 1.400 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.21011E-02 ppm1 1.668 ppm2 7.776 CV 1
ASSI ! 1995!
( segid " " and resid 90 and name HD1#)
(( segid " " and resid 90 and name HN ))
3.900 1.900 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.18598E-02 ppm1 0.947 ppm2 7.782 CV 1
ASSI ! 1996!
( segid " " and resid 90 and name HD2#)
(( segid " " and resid 90 and name HN ))
3.600 1.600 1.600 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.28977E-02 ppm1 1.031 ppm2 7.776 CV 1
ASSI ! 1997!
(( segid " " and resid 90 and name HG ))
(( segid " " and resid 90 and name HN ))
2.500 0.800 0.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 1.866 ppm2 7.779 CV 1
ASSI ! 2000!
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 91 and name HA2 ))
3.600 1.600 1.600 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.22882E-02 ppm1 2.019 ppm2 3.896 CV 1
ASSI ! 2001!
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 91 and name HN ))
3.600 1.600 1.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.63685E-03 ppm1 4.151 ppm2 7.218 CV 1
ASSI ! 2002!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 91 and name HN ))
3.200 1.300 1.300 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.23893E-02 ppm1 1.037 ppm2 7.227 CV 1
ASSI ! 2003!
(( segid " " and resid 67 and name HB2 ) or ( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 91 and name HN ))
5.300 3.600 0.700 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.46138E-03 ppm1 2.025 ppm2 7.221 CV 1
ASSI ! 2004!
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 91 and name HN ))
5.100 3.300 0.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.65641E-03 ppm1 3.191 ppm2 7.227 CV 1
ASSI ! 2005!
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 91 and name HN ))
3.700 1.700 1.700 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 2.847 ppm2 7.221 CV 1
ASSI ! 2007!
(( segid " " and resid 89 and name HB1 ))
(( segid " " and resid 91 and name HN ))
2.700 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.19390E-02 ppm1 1.755 ppm2 7.218 CV 1
ASSI ! 2008!
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 91 and name HN ))
3.300 1.300 1.300 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.31354E-02 ppm1 1.539 ppm2 7.218 CV 1
ASSI ! 2010!
( segid " " and resid 89 and name HD2#)
(( segid " " and resid 91 and name HN ))
4.000 2.000 2.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.14182E-02 ppm1 0.237 ppm2 7.224 CV 1
ASSI ! 2011!
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 91 and name HN ))
3.000 1.100 1.100 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 4.139 ppm2 7.221 CV 1
ASSI ! 2013!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 91 and name HN ))
2.600 0.800 0.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.29262E-02 ppm1 4.160 ppm2 7.227 CV 1
ASSI ! 2014!
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 91 and name HN ))
2.800 1.000 1.000 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.22602E-02 ppm1 3.896 ppm2 7.224 CV 1
ASSI ! 2015!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 92 and name HA ))
4.300 2.300 1.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.44111E-03 ppm1 2.652 ppm2 4.151 CV 1
ASSI ! 2016!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 92 and name HA ))
5.500 3.800 0.500 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.51362E-03 ppm1 2.556 ppm2 4.154 CV 1
ASSI ! 2017!
(( segid " " and resid 92 and name HB1 ))
(( segid " " and resid 92 and name HA ))
2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 1.575 ppm2 4.151 CV 1
ASSI ! 2020!
(( segid " " and resid 92 and name HG1 ))
(( segid " " and resid 92 and name HA ))
2.500 0.800 0.800 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.26623E-02 ppm1 1.577 ppm2 4.151 CV 1
ASSI ! 2021!
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HA ))
3.300 1.400 1.400 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.28008E-02 ppm1 1.445 ppm2 4.157 CV 1
ASSI ! 2023!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 92 and name HB1 ))
4.800 2.900 1.200 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.15713E-02 ppm1 2.238 ppm2 1.576 CV 1
ASSI ! 2024!
(( segid " " and resid 114 and name HA1 ))
(( segid " " and resid 92 and name HB1 ))
3.300 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.17660E-02 ppm1 4.049 ppm2 1.576 CV 1
ASSI ! 2025!
(( segid " " and resid 114 and name HA2 ))
(( segid " " and resid 92 and name HB1 ))
2.300 0.700 0.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12084E-02 ppm1 3.188 ppm2 1.573 CV 1
ASSI ! 2026!
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
2.400 0.700 0.700 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.43841E-02 ppm1 4.145 ppm2 1.474 CV 1
ASSI ! 2028!
(( segid " " and resid 92 and name HE2 ) or ( segid " " and resid 92 and name HE1 ))
(( segid " " and resid 92 and name HB2 ))
3.000 1.100 1.100 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.42130E-02 ppm1 2.991 ppm2 1.462 CV 1
ASSI ! 2029!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 92 and name HB2 ))
6.000 4.800 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.64528E-03 ppm1 2.235 ppm2 1.462 CV 1
ASSI ! 2030!
(( segid " " and resid 114 and name HA1 ))
(( segid " " and resid 92 and name HB2 ))
4.900 3.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 4.049 ppm2 1.471 CV 1
ASSI ! 2031!
(( segid " " and resid 114 and name HA2 ))
(( segid " " and resid 92 and name HB2 ))
3.800 1.800 1.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 3.182 ppm2 1.486 CV 1
ASSI ! 2032!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
5.100 3.200 0.900 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.59573E-03 ppm1 4.151 ppm2 1.573 CV 1
ASSI ! 2033!
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
5.000 3.100 1.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.34191E-03 ppm1 3.899 ppm2 1.570 CV 1
ASSI ! 2034!
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HD2 ) or ( segid " " and resid 92 and name HD1 ))
2.300 0.700 0.700 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.73706E-02 ppm1 4.148 ppm2 1.564 CV 1
ASSI ! 2035!
(( segid " " and resid 92 and name HE2 ) or ( segid " " and resid 92 and name HE1 ))
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
2.200 0.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.10278E-01 ppm1 2.988 ppm2 1.573 CV 1
ASSI ! 2036!
(( segid " " and resid 92 and name HB1 ))
(( segid " " and resid 92 and name HE2 ) or ( segid " " and resid 92 and name HE1 ))
4.400 2.400 1.600 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.88060E-03 ppm1 1.575 ppm2 3.003 CV 1
ASSI ! 2040!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 92 and name HN ))
3.200 1.300 1.300 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.42620E-03 ppm1 2.655 ppm2 8.777 CV 1
ASSI ! 2042!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 92 and name HN ))
2.500 0.800 0.800 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.29448E-02 ppm1 4.163 ppm2 8.771 CV 1
ASSI ! 2044!
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HN ))
2.800 1.000 1.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 4.148 ppm2 8.774 CV 1
ASSI ! 2049!
(( segid " " and resid 92 and name HG1 ))
(( segid " " and resid 92 and name HN ))
3.700 1.700 1.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.22483E-02 ppm1 1.580 ppm2 8.771 CV 1
ASSI ! 2050!
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HN ))
4.000 2.000 2.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.18502E-02 ppm1 1.463 ppm2 8.774 CV 1
ASSI ! 2051!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 93 and name HA ))
4.100 2.100 1.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.93521E-03 ppm1 0.814 ppm2 3.839 CV 1
ASSI ! 2052!
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 93 and name HA ))
2.600 0.800 0.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.28937E-02 ppm1 5.215 ppm2 3.835 CV 1
ASSI ! 2053!
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 93 and name HA ))
3.600 1.600 1.600 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.80792E-03 ppm1 4.154 ppm2 3.836 CV 1
ASSI ! 2054!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 93 and name HA ))
1.900 0.500 0.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.62676E-02 ppm1 1.043 ppm2 3.836 CV 1
ASSI ! 2056!
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HA ))
2.500 0.800 0.800 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 1.908 ppm2 3.842 CV 1
ASSI ! 2057!
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
(( segid " " and resid 93 and name HA ))
2.500 0.800 0.800 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.29525E-02 ppm1 2.433 ppm2 3.833 CV 1
ASSI ! 2058!
(( segid " " and resid 94 and name HB1 ))
(( segid " " and resid 93 and name HA ))
4.400 2.400 1.600 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.59880E-03 ppm1 2.893 ppm2 3.830 CV 1
ASSI ! 2059!
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 93 and name HA ))
4.700 2.700 1.300 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.55993E-03 ppm1 2.299 ppm2 3.836 CV 1
ASSI ! 2060!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 93 and name HB1 ))
4.400 2.400 1.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.80281E-03 ppm1 0.826 ppm2 2.076 CV 1
ASSI ! 2061!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 93 and name HB1 ))
2.400 0.700 0.700 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.37827E-02 ppm1 1.878 ppm2 2.073 CV 1
ASSI ! 2063!
(( segid " " and resid 112 and name HA1 ))
(( segid " " and resid 93 and name HB1 ))
4.200 2.200 1.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.30960E-03 ppm1 4.463 ppm2 2.076 CV 1
ASSI ! 2064!
(( segid " " and resid 112 and name HA2 ))
(( segid " " and resid 93 and name HB1 ))
5.600 3.900 0.400 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.41648E-03 ppm1 3.851 ppm2 2.076 CV 1
ASSI ! 2065!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 93 and name HB1 ))
4.800 2.900 1.200 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.56724E-03 ppm1 4.004 ppm2 2.070 CV 1
ASSI ! 2066!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 93 and name HB1 ))
3.000 1.200 1.200 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.53107E-03 ppm1 3.632 ppm2 2.067 CV 1
ASSI ! 2067!
( segid " " and resid 41 and name HD1#)
(( segid " " and resid 93 and name HB2 ))
2.300 0.700 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 0.820 ppm2 1.888 CV 1
ASSI ! 2068!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 93 and name HB2 ))
2.200 0.600 0.600 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.67323E-02 ppm1 2.430 ppm2 1.888 CV 1
ASSI ! 2069!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 93 and name HB2 ))
4.500 2.500 1.500 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.33163E-02 ppm1 3.998 ppm2 1.888 CV 1
ASSI ! 2070!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 93 and name HB2 ))
3.400 1.400 1.400 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.31854E-02 ppm1 3.626 ppm2 1.882 CV 1
ASSI ! 2071!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 93 and name HB2 ))
3.500 3.500 2.500 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.86095E-02 ppm1 2.235 ppm2 1.903 CV 1
ASSI ! 2073!
(( segid " " and resid 96 and name HB ))
( segid " " and resid 93 and name HE# )
4.300 2.300 1.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.51175E-03 ppm1 3.677 ppm2 1.882 CV 1
ASSI ! 2075!
(( segid " " and resid 111 and name HA ))
( segid " " and resid 93 and name HE# )
4.000 2.000 2.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.63008E-03 ppm1 4.759 ppm2 1.879 CV 1
ASSI ! 2076!
(( segid " " and resid 112 and name HA1 ))
( segid " " and resid 93 and name HE# )
2.600 0.800 0.800 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.31158E-02 ppm1 4.457 ppm2 1.879 CV 1
ASSI ! 2079!
( segid " " and resid 41 and name HD2#)
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
3.000 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.29111E-02 ppm1 0.920 ppm2 2.436 CV 1
ASSI ! 2080!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
3.400 1.400 1.400 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 0.937 ppm2 2.433 CV 1
ASSI ! 2082!
(( segid " " and resid 93 and name HB1 ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
2.600 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.35069E-02 ppm1 2.091 ppm2 2.427 CV 1
ASSI ! 2084!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
2.400 0.700 0.700 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.10411E-01 ppm1 1.878 ppm2 2.436 CV 1
ASSI ! 2086!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
2.900 2.900 3.100 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.66110E-03 ppm1 0.645 ppm2 2.427 CV 1
ASSI ! 2087!
(( segid " " and resid 112 and name HA2 ))
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
5.300 3.500 0.700 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.32509E-03 ppm1 3.848 ppm2 2.424 CV 1
ASSI ! 2094!
(( segid " " and resid 92 and name HD2 ) or ( segid " " and resid 92 and name HD1 ))
(( segid " " and resid 93 and name HN ))
4.400 2.400 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.70355E-03 ppm1 1.581 ppm2 9.185 CV 1
ASSI ! 2095!
(( segid " " and resid 92 and name HG1 ))
(( segid " " and resid 93 and name HN ))
2.900 1.100 1.100 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.56753E-03 ppm1 1.595 ppm2 9.188 CV 1
ASSI ! 2096!
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 93 and name HN ))
5.000 3.100 1.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.39811E-03 ppm1 1.451 ppm2 9.194 CV 1
ASSI ! 2100!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 93 and name HN ))
4.900 3.000 1.100 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.79629E-03 ppm1 1.869 ppm2 9.185 CV 1
ASSI ! 2104!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 93 and name HN ))
6.000 4.500 0.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.24803E-03 ppm1 2.235 ppm2 9.188 CV 1
ASSI ! 2105!
(( segid " " and resid 113 and name HG2 ))
(( segid " " and resid 93 and name HN ))
3.800 1.800 1.800 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.39288E-03 ppm1 1.899 ppm2 9.188 CV 1
ASSI ! 2107!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB1 ))
2.900 1.100 1.100 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.28968E-02 ppm1 4.768 ppm2 2.904 CV 1
ASSI ! 2108!
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HB1 ))
1.600 0.300 0.600 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.61778E-02 ppm1 2.302 ppm2 2.901 CV 1
ASSI ! 2110!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB2 ))
2.600 0.800 0.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 4.762 ppm2 2.304 CV 1
ASSI ! 2112!
(( segid " " and resid 65 and name HB1 ))
( segid " " and resid 94 and name HD# )
3.400 1.400 1.400 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 2.169 ppm2 6.870 CV 1
ASSI ! 2113!
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 94 and name HD# )
3.000 1.200 1.200 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.16486E-02 ppm1 1.680 ppm2 6.867 CV 1
ASSI ! 2114!
(( segid " " and resid 65 and name HG ))
( segid " " and resid 94 and name HD# )
4.300 2.300 1.700 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 1.857 ppm2 6.867 CV 1
ASSI ! 2115!
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HD# )
2.700 0.900 0.900 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.33075E-02 ppm1 4.768 ppm2 6.876 CV 1
ASSI ! 2116!
(( segid " " and resid 94 and name HB1 ))
( segid " " and resid 94 and name HD# )
2.500 0.800 0.800 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.27883E-02 ppm1 2.908 ppm2 6.873 CV 1
ASSI ! 2117!
(( segid " " and resid 94 and name HB2 ))
( segid " " and resid 94 and name HD# )
2.800 1.000 1.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.27990E-02 ppm1 2.299 ppm2 6.873 CV 1
ASSI ! 2118!
(( segid " " and resid 95 and name HB1 ))
( segid " " and resid 94 and name HD# )
3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.54569E-03 ppm1 0.943 ppm2 6.879 CV 1
ASSI ! 2119!
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 94 and name HD# )
3.500 1.600 1.600 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.50773E-03 ppm1 0.835 ppm2 6.879 CV 1
ASSI ! 2120!
(( segid " " and resid 95 and name HD1 ))
( segid " " and resid 94 and name HD# )
4.500 2.500 1.500 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.35863E-03 ppm1 1.213 ppm2 6.876 CV 1
ASSI ! 2121!
(( segid " " and resid 95 and name HD2 ))
( segid " " and resid 94 and name HD# )
4.500 2.600 1.500 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.50735E-03 ppm1 1.042 ppm2 6.876 CV 1
ASSI ! 2122!
(( segid " " and resid 95 and name HE2 ))
( segid " " and resid 94 and name HD# )
2.800 2.800 3.200 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.86826E-03 ppm1 2.454 ppm2 6.873 CV 1
ASSI ! 2123!
(( segid " " and resid 115 and name HA ))
( segid " " and resid 94 and name HD# )
3.400 1.500 1.500 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.15396E-02 ppm1 4.535 ppm2 6.876 CV 1
ASSI ! 2124!
(( segid " " and resid 116 and name HA ))
( segid " " and resid 94 and name HD# )
3.800 1.800 1.800 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.56354E-03 ppm1 3.576 ppm2 6.879 CV 1
ASSI ! 2125!
( segid " " and resid 65 and name HD1#)
( segid " " and resid 94 and name HE# )
3.600 1.600 1.600 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 1.141 ppm2 6.777 CV 1
ASSI ! 2126!
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HE# )
5.200 3.400 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.46499E-03 ppm1 4.768 ppm2 6.762 CV 1
ASSI ! 2127!
(( segid " " and resid 94 and name HB1 ))
( segid " " and resid 94 and name HE# )
5.200 3.300 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.35721E-03 ppm1 2.905 ppm2 6.771 CV 1
ASSI ! 2128!
(( segid " " and resid 94 and name HB2 ))
( segid " " and resid 94 and name HE# )
5.500 3.800 0.500 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.25586E-03 ppm1 2.296 ppm2 6.768 CV 1
ASSI ! 2129!
(( segid " " and resid 95 and name HD1 ))
( segid " " and resid 94 and name HE# )
4.600 2.700 1.400 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.32779E-03 ppm1 1.201 ppm2 6.795 CV 1
ASSI ! 2130!
(( segid " " and resid 95 and name HD2 ))
( segid " " and resid 94 and name HE# )
4.300 2.300 1.700 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.67776E-03 ppm1 1.036 ppm2 6.780 CV 1
ASSI ! 2131!
(( segid " " and resid 95 and name HE1 ))
( segid " " and resid 94 and name HE# )
3.300 1.400 1.400 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 2.571 ppm2 6.777 CV 1
ASSI ! 2132!
(( segid " " and resid 95 and name HE2 ))
( segid " " and resid 94 and name HE# )
3.400 1.500 1.500 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 2.454 ppm2 6.771 CV 1
ASSI ! 2133!
(( segid " " and resid 95 and name HG2 ))
( segid " " and resid 94 and name HE# )
4.400 2.400 1.600 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.51254E-03 ppm1 0.064 ppm2 6.780 CV 1
ASSI ! 2134!
(( segid " " and resid 115 and name HA ))
( segid " " and resid 94 and name HE# )
3.600 1.600 1.600 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.84368E-03 ppm1 4.529 ppm2 6.771 CV 1
ASSI ! 2135!
(( segid " " and resid 116 and name HA ))
( segid " " and resid 94 and name HE# )
4.000 2.000 2.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.44302E-03 ppm1 3.559 ppm2 6.759 CV 1
ASSI ! 2136!
(( segid " " and resid 117 and name HB1 ))
( segid " " and resid 94 and name HE# )
3.100 3.100 2.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.46964E-03 ppm1 2.760 ppm2 6.780 CV 1
ASSI ! 2137!
(( segid " " and resid 117 and name HB2 ))
( segid " " and resid 94 and name HE# )
3.100 3.100 2.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.42819E-03 ppm1 2.580 ppm2 6.777 CV 1
ASSI ! 2138!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 94 and name HN ))
4.500 2.600 1.500 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.68739E-03 ppm1 0.682 ppm2 9.410 CV 1
ASSI ! 2139!
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 94 and name HN ))
2.300 0.600 0.600 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.25775E-02 ppm1 5.211 ppm2 9.419 CV 1
ASSI ! 2141!
( segid " " and resid 66 and name HG2#)
(( segid " " and resid 94 and name HN ))
3.700 1.700 1.700 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 1.052 ppm2 9.419 CV 1
ASSI ! 2142!
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HN ))
2.100 0.600 0.600 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.31256E-02 ppm1 3.835 ppm2 9.418 CV 1
ASSI ! 2143!
(( segid " " and resid 93 and name HB1 ))
(( segid " " and resid 94 and name HN ))
4.700 2.700 1.300 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.31548E-03 ppm1 2.079 ppm2 9.422 CV 1
ASSI ! 2145!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 94 and name HN ))
5.000 3.100 1.000 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.37609E-03 ppm1 1.875 ppm2 9.434 CV 1
ASSI ! 2146!
(( segid " " and resid 93 and name HG2 ) or ( segid " " and resid 93 and name HG1 ))
(( segid " " and resid 94 and name HN ))
3.200 1.300 1.300 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 2.430 ppm2 9.422 CV 1
ASSI ! 2147!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HN ))
3.200 1.300 1.300 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.89214E-03 ppm1 4.765 ppm2 9.425 CV 1
ASSI ! 2148!
(( segid " " and resid 94 and name HB1 ))
(( segid " " and resid 94 and name HN ))
2.400 0.700 0.700 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.18235E-02 ppm1 2.902 ppm2 9.419 CV 1
ASSI ! 2149!
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HN ))
2.900 1.000 1.000 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 2.302 ppm2 9.419 CV 1
ASSI ! 2151!
(( segid " " and resid 95 and name HB1 ))
(( segid " " and resid 95 and name HA ))
3.000 1.100 1.100 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 0.943 ppm2 4.685 CV 1
ASSI ! 2152!
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HA ))
2.700 0.900 0.900 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.22076E-02 ppm1 0.838 ppm2 4.685 CV 1
ASSI ! 2153!
(( segid " " and resid 95 and name HG1 ))
(( segid " " and resid 95 and name HA ))
2.700 0.900 0.900 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.26905E-02 ppm1 0.643 ppm2 4.694 CV 1
ASSI ! 2154!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HA ))
3.100 1.200 1.200 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 0.058 ppm2 4.694 CV 1
ASSI ! 2157!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HB1 ))
2.700 0.900 0.900 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 0.064 ppm2 0.940 CV 1
ASSI ! 2158!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 95 and name HB1 ))
5.000 3.100 1.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.35744E-03 ppm1 4.774 ppm2 0.934 CV 1
ASSI ! 2161!
(( segid " " and resid 95 and name HD1 ))
(( segid " " and resid 95 and name HB2 ))
2.900 1.100 1.100 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.19449E-02 ppm1 1.204 ppm2 0.838 CV 1
ASSI ! 2162!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HB2 ))
3.200 1.300 1.300 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 0.067 ppm2 0.835 CV 1
ASSI ! 2163!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 95 and name HB2 ))
4.300 2.300 1.700 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.55142E-03 ppm1 4.765 ppm2 0.823 CV 1
ASSI ! 2164!
(( segid " " and resid 95 and name HB1 ))
(( segid " " and resid 95 and name HD1 ))
3.400 1.400 1.400 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.12316E-02 ppm1 0.946 ppm2 1.198 CV 1
ASSI ! 2167!
(( segid " " and resid 95 and name HE1 ))
(( segid " " and resid 95 and name HD1 ))
3.000 1.100 1.100 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.23023E-02 ppm1 2.571 ppm2 1.201 CV 1
ASSI ! 2168!
(( segid " " and resid 95 and name HE2 ))
(( segid " " and resid 95 and name HD1 ))
2.500 0.800 0.800 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.31967E-02 ppm1 2.454 ppm2 1.204 CV 1
ASSI ! 2169!
(( segid " " and resid 95 and name HG1 ))
(( segid " " and resid 95 and name HD1 ))
3.100 1.200 1.200 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 0.646 ppm2 1.198 CV 1
ASSI ! 2170!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HD1 ))
3.400 1.400 1.400 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 0.064 ppm2 1.195 CV 1
ASSI ! 2172!
(( segid " " and resid 95 and name HE1 ))
(( segid " " and resid 95 and name HD2 ))
2.900 1.000 1.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.23436E-02 ppm1 2.568 ppm2 1.042 CV 1
ASSI ! 2173!
(( segid " " and resid 95 and name HE2 ))
(( segid " " and resid 95 and name HD2 ))
3.100 1.200 1.200 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.19262E-02 ppm1 2.457 ppm2 1.042 CV 1
ASSI ! 2174!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HD2 ))
3.000 1.200 1.200 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 0.067 ppm2 1.024 CV 1
ASSI ! 2184!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HE2 ))
3.400 1.400 1.400 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 0.058 ppm2 2.457 CV 1
ASSI ! 2186!
(( segid " " and resid 95 and name HB1 ))
(( segid " " and resid 95 and name HG1 ))
3.100 1.200 1.200 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.21874E-02 ppm1 0.934 ppm2 0.628 CV 1
ASSI ! 2187!
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HG1 ))
2.800 1.000 1.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.22601E-02 ppm1 0.835 ppm2 0.634 CV 1
ASSI ! 2189!
(( segid " " and resid 95 and name HD2 ))
(( segid " " and resid 95 and name HG1 ))
3.000 1.100 1.100 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 1.033 ppm2 0.634 CV 1
ASSI ! 2190!
(( segid " " and resid 95 and name HE1 ))
(( segid " " and resid 95 and name HG1 ))
3.500 1.600 1.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 2.568 ppm2 0.634 CV 1
ASSI ! 2191!
(( segid " " and resid 95 and name HE2 ))
(( segid " " and resid 95 and name HG1 ))
3.600 1.600 1.600 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.20273E-02 ppm1 2.451 ppm2 0.637 CV 1
ASSI ! 2192!
(( segid " " and resid 95 and name HG2 ))
(( segid " " and resid 95 and name HG1 ))
1.800 0.400 0.400 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.67701E-02 ppm1 0.067 ppm2 0.628 CV 1
ASSI ! 2193!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 95 and name HG1 ))
3.800 1.800 1.800 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.70081E-03 ppm1 4.759 ppm2 0.634 CV 1
ASSI ! 2199!
(( segid " " and resid 95 and name HE1 ))
(( segid " " and resid 95 and name HG2 ))
2.900 1.000 1.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.20551E-02 ppm1 2.571 ppm2 0.062 CV 1
ASSI ! 2216!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 96 and name HA ))
4.300 2.300 1.700 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.76846E-03 ppm1 0.673 ppm2 5.146 CV 1
ASSI ! 2219!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 96 and name HA ))
2.500 0.800 0.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.39998E-02 ppm1 0.642 ppm2 5.155 CV 1
ASSI ! 2220!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 96 and name HB ))
3.900 1.900 1.900 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.49203E-03 ppm1 0.937 ppm2 3.674 CV 1
ASSI ! 2221!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 96 and name HB ))
3.500 1.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 0.908 ppm2 3.668 CV 1
ASSI ! 2222!
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HB ))
3.300 1.400 1.400 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.85128E-03 ppm1 5.148 ppm2 3.673 CV 1
ASSI ! 2224!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 96 and name HB ))
2.300 0.600 0.600 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.55619E-02 ppm1 0.639 ppm2 3.671 CV 1
ASSI ! 2225!
(( segid " " and resid 110 and name HB ))
(( segid " " and resid 96 and name HB ))
2.500 0.800 0.800 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.23070E-02 ppm1 1.447 ppm2 3.668 CV 1
ASSI ! 2226!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 96 and name HB ))
3.000 3.000 3.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.55503E-03 ppm1 1.021 ppm2 3.677 CV 1
ASSI ! 2227!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 96 and name HB ))
3.900 1.900 1.900 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.90008E-03 ppm1 0.817 ppm2 3.668 CV 1
ASSI ! 2228!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 96 and name HG1 ))
3.100 1.200 1.200 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 0.940 ppm2 3.306 CV 1
ASSI ! 2229!
( segid " " and resid 45 and name HD2#)
(( segid " " and resid 96 and name HG1 ))
3.100 1.200 1.200 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.24708E-02 ppm1 0.914 ppm2 3.309 CV 1
ASSI ! 2230!
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 96 and name HG1 ))
3.800 1.800 1.800 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.61085E-03 ppm1 4.314 ppm2 3.309 CV 1
ASSI ! 2231!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 96 and name HG1 ))
2.900 1.000 1.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 0.682 ppm2 3.306 CV 1
ASSI ! 2232!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 96 and name HG1 ))
2.600 0.800 0.800 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.51582E-02 ppm1 1.878 ppm2 3.306 CV 1
ASSI ! 2233!
(( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
(( segid " " and resid 96 and name HG1 ))
2.800 1.000 1.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 2.430 ppm2 3.306 CV 1
ASSI ! 2234!
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 96 and name HG1 ))
4.000 2.000 2.000 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.63676E-03 ppm1 4.699 ppm2 3.309 CV 1
ASSI ! 2235!
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HG1 ))
3.200 1.300 1.300 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.15113E-02 ppm1 5.150 ppm2 3.309 CV 1
ASSI ! 2236!
(( segid " " and resid 96 and name HB ))
(( segid " " and resid 96 and name HG1 ))
2.500 0.800 0.800 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.29402E-02 ppm1 3.665 ppm2 3.303 CV 1
ASSI ! 2237!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 96 and name HG1 ))
3.100 1.200 1.200 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.29414E-02 ppm1 0.639 ppm2 3.309 CV 1
ASSI ! 2238!
(( segid " " and resid 110 and name HB ))
(( segid " " and resid 96 and name HG1 ))
4.200 2.200 1.800 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.64781E-03 ppm1 1.450 ppm2 3.306 CV 1
ASSI ! 2239!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 96 and name HG1 ))
2.400 2.400 3.600 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 1.021 ppm2 3.297 CV 1
ASSI ! 2240!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 96 and name HG1 ))
2.900 2.900 3.100 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.75563E-03 ppm1 0.808 ppm2 3.303 CV 1
ASSI ! 2241!
(( segid " " and resid 62 and name HB1 ))
( segid " " and resid 96 and name HG2#)
4.000 2.000 2.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 1.237 ppm2 0.640 CV 1
ASSI ! 2242!
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 96 and name HG2#)
2.600 0.800 0.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 0.859 ppm2 0.643 CV 1
ASSI ! 2243!
(( segid " " and resid 62 and name HG1 ))
( segid " " and resid 96 and name HG2#)
3.500 1.600 1.600 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.83662E-03 ppm1 2.424 ppm2 0.631 CV 1
ASSI ! 2244!
(( segid " " and resid 62 and name HG2 ))
( segid " " and resid 96 and name HG2#)
4.100 2.100 1.900 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.14181E-02 ppm1 2.100 ppm2 0.634 CV 1
ASSI ! 2245!
( segid " " and resid 93 and name HE# )
( segid " " and resid 96 and name HG2#)
4.000 2.000 2.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 1.875 ppm2 0.652 CV 1
ASSI ! 2256!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 96 and name HN ))
3.200 1.300 1.300 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 0.318 ppm2 8.732 CV 1
ASSI ! 2258!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 96 and name HN ))
4.100 2.100 1.900 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.66596E-03 ppm1 0.808 ppm2 8.726 CV 1
ASSI ! 2259!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 96 and name HN ))
3.800 1.800 1.800 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.83961E-03 ppm1 4.768 ppm2 8.726 CV 1
ASSI ! 2262!
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HA ))
3.400 1.400 1.400 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.97251E-03 ppm1 2.581 ppm2 5.030 CV 1
ASSI ! 2263!
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 97 and name HA ))
2.700 0.900 0.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 5.216 ppm2 5.036 CV 1
ASSI ! 2264!
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 97 and name HA ))
5.000 3.100 1.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.66646E-03 ppm1 1.465 ppm2 5.027 CV 1
ASSI ! 2265!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 97 and name HA ))
3.100 1.200 1.200 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.13079E-02 ppm1 0.318 ppm2 5.027 CV 1
ASSI ! 2266!
(( segid " " and resid 63 and name HB ))
(( segid " " and resid 97 and name HB1 ))
5.600 3.900 0.400 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.71700E-03 ppm1 1.776 ppm2 2.733 CV 1
ASSI ! 2267!
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB1 ))
2.700 0.900 0.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.16770E-02 ppm1 5.023 ppm2 2.742 CV 1
ASSI ! 2268!
(( segid " " and resid 63 and name HB ))
(( segid " " and resid 97 and name HB2 ))
4.300 2.300 1.700 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 1.776 ppm2 2.589 CV 1
ASSI ! 2269!
( segid " " and resid 63 and name HG2#)
(( segid " " and resid 97 and name HB2 ))
5.600 3.900 0.400 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.48156E-03 ppm1 0.247 ppm2 2.589 CV 1
ASSI ! 2271!
(( segid " " and resid 106 and name HB1 ))
(( segid " " and resid 97 and name HB2 ))
4.900 3.000 1.100 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.50353E-03 ppm1 3.986 ppm2 2.586 CV 1
ASSI ! 2272!
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 97 and name HB2 ))
4.800 2.800 1.200 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.58211E-03 ppm1 2.775 ppm2 2.598 CV 1
ASSI ! 2273!
(( segid " " and resid 63 and name HB ))
( segid " " and resid 97 and name HD# )
5.400 3.600 0.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 1.776 ppm2 6.885 CV 1
ASSI ! 2274!
(( segid " " and resid 95 and name HG2 ))
( segid " " and resid 97 and name HD# )
3.700 1.700 1.700 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.90776E-03 ppm1 0.064 ppm2 6.879 CV 1
ASSI ! 2275!
(( segid " " and resid 97 and name HB1 ))
( segid " " and resid 97 and name HD# )
2.800 1.000 1.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.725 ppm2 6.885 CV 1
ASSI ! 2276!
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 97 and name HD# )
2.600 0.900 0.900 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.31169E-02 ppm1 2.584 ppm2 6.888 CV 1
ASSI ! 2277!
(( segid " " and resid 106 and name HB1 ))
( segid " " and resid 97 and name HD# )
3.900 1.900 1.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.35718E-03 ppm1 3.992 ppm2 6.873 CV 1
ASSI ! 2278!
(( segid " " and resid 106 and name HB2 ))
( segid " " and resid 97 and name HD# )
3.700 1.700 1.700 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.51225E-03 ppm1 2.775 ppm2 6.870 CV 1
ASSI ! 2279!
(( segid " " and resid 109 and name HB ))
( segid " " and resid 97 and name HD# )
4.700 2.800 1.300 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 1.462 ppm2 6.873 CV 1
ASSI ! 2280!
( segid " " and resid 109 and name HG1#)
( segid " " and resid 97 and name HD# )
3.200 1.300 1.300 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.19960E-02 ppm1 0.321 ppm2 6.882 CV 1
ASSI ! 2281!
( segid " " and resid 109 and name HG2#)
( segid " " and resid 97 and name HD# )
3.600 1.700 1.700 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.49053E-03 ppm1 0.325 ppm2 6.885 CV 1
ASSI ! 2282!
( segid " " and resid 65 and name HD1#)
( segid " " and resid 97 and name HE# )
2.800 0.900 0.900 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.33804E-02 ppm1 1.141 ppm2 6.382 CV 1
ASSI ! 2283!
(( segid " " and resid 95 and name HB1 ))
( segid " " and resid 97 and name HE# )
3.300 1.300 1.300 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.99535E-03 ppm1 0.937 ppm2 6.388 CV 1
ASSI ! 2284!
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 97 and name HE# )
4.500 2.500 1.500 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.50519E-03 ppm1 0.832 ppm2 6.385 CV 1
ASSI ! 2285!
(( segid " " and resid 95 and name HD1 ))
( segid " " and resid 97 and name HE# )
4.600 2.600 1.400 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.39823E-03 ppm1 1.204 ppm2 6.382 CV 1
ASSI ! 2286!
(( segid " " and resid 95 and name HD2 ))
( segid " " and resid 97 and name HE# )
3.700 1.700 1.700 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.63373E-03 ppm1 1.033 ppm2 6.382 CV 1
ASSI ! 2287!
(( segid " " and resid 95 and name HG2 ))
( segid " " and resid 97 and name HE# )
4.700 2.700 1.300 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.16940E-03 ppm1 0.073 ppm2 6.397 CV 1
ASSI ! 2288!
(( segid " " and resid 97 and name HB1 ))
( segid " " and resid 97 and name HE# )
5.000 3.200 1.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.50515E-03 ppm1 2.716 ppm2 6.403 CV 1
ASSI ! 2289!
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 97 and name HE# )
4.900 3.100 1.100 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.51657E-03 ppm1 2.590 ppm2 6.400 CV 1
ASSI ! 2290!
(( segid " " and resid 109 and name HB ))
( segid " " and resid 97 and name HE# )
4.800 2.800 1.200 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.70795E-03 ppm1 1.459 ppm2 6.394 CV 1
ASSI ! 2291!
( segid " " and resid 109 and name HG1#)
( segid " " and resid 97 and name HE# )
3.200 1.300 1.300 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.20504E-02 ppm1 0.321 ppm2 6.388 CV 1
ASSI ! 2292!
( segid " " and resid 109 and name HG2#)
( segid " " and resid 97 and name HE# )
3.700 1.700 1.700 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.74861E-03 ppm1 0.325 ppm2 6.385 CV 1
ASSI ! 2295!
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 97 and name HN ))
3.800 1.800 1.800 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 4.303 ppm2 8.973 CV 1
ASSI ! 2297!
( segid " " and resid 96 and name HG2#)
(( segid " " and resid 97 and name HN ))
2.600 0.900 0.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.45689E-02 ppm1 0.642 ppm2 8.969 CV 1
ASSI ! 2300!
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HN ))
2.500 0.800 0.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.22334E-02 ppm1 2.581 ppm2 8.969 CV 1
ASSI ! 2301!
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 98 and name HA ))
2.400 0.700 0.700 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.29134E-02 ppm1 5.635 ppm2 5.176 CV 1
ASSI ! 2302!
(( segid " " and resid 62 and name HB1 ))
(( segid " " and resid 98 and name HA ))
3.400 1.400 1.400 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.76593E-03 ppm1 1.249 ppm2 5.173 CV 1
ASSI ! 2303!
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 98 and name HA ))
3.800 1.800 1.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.54801E-03 ppm1 0.853 ppm2 5.173 CV 1
ASSI ! 2307!
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB1 ))
2.800 1.000 1.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.93530E-03 ppm1 5.182 ppm2 2.769 CV 1
ASSI ! 2308!
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 98 and name HB1 ))
1.800 0.400 0.400 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.46586E-02 ppm1 2.572 ppm2 2.757 CV 1
ASSI ! 2309!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
(( segid " " and resid 98 and name HB1 ))
3.700 1.700 1.700 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.17219E-02 ppm1 2.207 ppm2 2.769 CV 1
ASSI ! 2310!
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.13467E-02 ppm1 5.179 ppm2 2.559 CV 1
ASSI ! 2311!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
(( segid " " and resid 98 and name HB2 ))
2.800 1.000 1.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 2.216 ppm2 2.562 CV 1
ASSI ! 2312!
( segid " " and resid 49 and name HD1#)
( segid " " and resid 98 and name HD# )
2.800 1.000 1.000 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 0.597 ppm2 6.903 CV 1
ASSI ! 2313!
( segid " " and resid 49 and name HD2#)
( segid " " and resid 98 and name HD# )
3.000 1.100 1.100 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.17702E-02 ppm1 -1.144 ppm2 6.909 CV 1
ASSI ! 2314!
(( segid " " and resid 59 and name HB1 ))
( segid " " and resid 98 and name HD# )
4.200 2.200 1.800 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.46183E-03 ppm1 2.985 ppm2 6.903 CV 1
ASSI ! 2315!
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 98 and name HD# )
4.800 2.900 1.200 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.58925E-03 ppm1 2.799 ppm2 6.900 CV 1
ASSI ! 2316!
(( segid " " and resid 62 and name HB1 ))
( segid " " and resid 98 and name HD# )
3.000 1.200 1.200 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.81211E-03 ppm1 1.240 ppm2 6.900 CV 1
ASSI ! 2317!
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 98 and name HD# )
4.500 2.600 1.500 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.35161E-03 ppm1 0.853 ppm2 6.906 CV 1
ASSI ! 2318!
( segid " " and resid 76 and name HD1#)
( segid " " and resid 98 and name HD# )
2.300 0.700 0.700 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.43679E-02 ppm1 0.928 ppm2 6.906 CV 1
ASSI ! 2319!
( segid " " and resid 96 and name HG2#)
( segid " " and resid 98 and name HD# )
3.400 1.400 1.400 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 0.645 ppm2 6.903 CV 1
ASSI ! 2320!
(( segid " " and resid 97 and name HA ))
( segid " " and resid 98 and name HD# )
3.000 1.100 1.100 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.18166E-02 ppm1 5.023 ppm2 6.891 CV 1
ASSI ! 2321!
(( segid " " and resid 98 and name HA ))
( segid " " and resid 98 and name HD# )
3.400 1.400 1.400 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.96017E-03 ppm1 5.172 ppm2 6.897 CV 1
ASSI ! 2322!
(( segid " " and resid 98 and name HB1 ))
( segid " " and resid 98 and name HD# )
2.500 0.800 0.800 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 2.770 ppm2 6.894 CV 1
ASSI ! 2323!
(( segid " " and resid 98 and name HB2 ))
( segid " " and resid 98 and name HD# )
2.600 0.900 0.900 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 2.566 ppm2 6.894 CV 1
ASSI ! 2324!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
( segid " " and resid 98 and name HD# )
4.400 2.400 1.600 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.58664E-03 ppm1 2.207 ppm2 6.897 CV 1
ASSI ! 2326!
( segid " " and resid 110 and name HD1#)
( segid " " and resid 98 and name HD# )
2.500 2.500 3.500 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.15190E-02 ppm1 1.024 ppm2 6.906 CV 1
ASSI ! 2327!
(( segid " " and resid 49 and name HA ))
( segid " " and resid 98 and name HE# )
6.000 4.500 0.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.32598E-03 ppm1 3.412 ppm2 7.009 CV 1
ASSI ! 2328!
(( segid " " and resid 49 and name HB1 ))
( segid " " and resid 98 and name HE# )
6.000 4.700 0.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.31268E-03 ppm1 1.611 ppm2 7.002 CV 1
ASSI ! 2329!
(( segid " " and resid 49 and name HB2 ))
( segid " " and resid 98 and name HE# )
5.200 3.400 0.800 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.63257E-03 ppm1 1.048 ppm2 7.005 CV 1
ASSI ! 2330!
(( segid " " and resid 62 and name HB1 ))
( segid " " and resid 98 and name HE# )
3.100 1.200 1.200 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 1.237 ppm2 7.005 CV 1
ASSI ! 2331!
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 98 and name HE# )
3.700 1.700 1.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.68444E-03 ppm1 0.853 ppm2 7.008 CV 1
ASSI ! 2332!
( segid " " and resid 62 and name HE# )
( segid " " and resid 98 and name HE# )
3.800 1.800 1.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.87321E-03 ppm1 2.003 ppm2 7.008 CV 1
ASSI ! 2333!
( segid " " and resid 76 and name HD1#)
( segid " " and resid 98 and name HE# )
2.700 0.900 0.900 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.26987E-02 ppm1 0.925 ppm2 7.005 CV 1
ASSI ! 2334!
( segid " " and resid 76 and name HD2#)
( segid " " and resid 98 and name HE# )
3.400 1.400 1.400 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.99668E-03 ppm1 0.923 ppm2 7.005 CV 1
ASSI ! 2335!
(( segid " " and resid 96 and name HB ))
( segid " " and resid 98 and name HE# )
3.200 1.300 1.300 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.79654E-03 ppm1 3.668 ppm2 7.008 CV 1
ASSI ! 2336!
( segid " " and resid 96 and name HG2#)
( segid " " and resid 98 and name HE# )
2.600 0.800 0.800 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.46545E-02 ppm1 0.645 ppm2 7.008 CV 1
ASSI ! 2337!
(( segid " " and resid 98 and name HB1 ))
( segid " " and resid 98 and name HE# )
4.600 2.700 1.400 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.50669E-03 ppm1 2.770 ppm2 6.996 CV 1
ASSI ! 2338!
(( segid " " and resid 98 and name HB2 ))
( segid " " and resid 98 and name HE# )
4.500 2.500 1.500 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.64399E-03 ppm1 2.572 ppm2 7.005 CV 1
ASSI ! 2339!
(( segid " " and resid 110 and name HB ))
( segid " " and resid 98 and name HE# )
2.200 0.600 0.600 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.35060E-02 ppm1 1.453 ppm2 7.002 CV 1
ASSI ! 2340!
( segid " " and resid 110 and name HD1#)
( segid " " and resid 98 and name HE# )
2.300 0.700 0.700 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.88081E-02 ppm1 1.024 ppm2 7.008 CV 1
ASSI ! 2341!
(( segid " " and resid 110 and name HG11))
( segid " " and resid 98 and name HE# )
2.700 0.900 0.900 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.14122E-02 ppm1 1.698 ppm2 7.008 CV 1
ASSI ! 2342!
(( segid " " and resid 110 and name HG12))
( segid " " and resid 98 and name HE# )
4.800 2.900 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.67269E-03 ppm1 0.910 ppm2 7.005 CV 1
ASSI ! 2344!
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HN ))
2.800 1.000 1.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 5.170 ppm2 9.184 CV 1
ASSI ! 2348!
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 98 and name HN ))
4.100 2.100 1.900 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.33527E-03 ppm1 2.766 ppm2 9.185 CV 1
ASSI ! 2349!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
(( segid " " and resid 98 and name HN ))
4.400 2.400 1.600 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.216 ppm2 9.191 CV 1
ASSI ! 2350!
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 98 and name HN ))
3.600 1.600 1.600 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.79616E-03 ppm1 5.211 ppm2 9.186 CV 1
ASSI ! 2351!
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 98 and name HZ ))
2.900 1.000 1.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.64677E-03 ppm1 1.923 ppm2 6.999 CV 1
ASSI ! 2352!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 98 and name HZ ))
3.300 1.400 1.400 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 0.943 ppm2 7.005 CV 1
ASSI ! 2353!
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 98 and name HZ ))
4.800 2.900 1.200 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.34219E-03 ppm1 3.874 ppm2 7.003 CV 1
ASSI ! 2355!
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 99 and name HA ))
2.900 1.000 1.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.18604E-02 ppm1 3.374 ppm2 4.889 CV 1
ASSI ! 2356!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 99 and name HB1 ))
4.500 2.500 1.500 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.91582E-03 ppm1 2.262 ppm2 3.219 CV 1
ASSI ! 2358!
(( segid " " and resid 61 and name HG2 ))
(( segid " " and resid 99 and name HB1 ))
5.200 3.400 0.800 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.46607E-03 ppm1 0.739 ppm2 3.225 CV 1
ASSI ! 2359!
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HB1 ))
2.900 1.100 1.100 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 4.900 ppm2 3.219 CV 1
ASSI ! 2361!
(( segid " " and resid 61 and name HE1 ))
(( segid " " and resid 99 and name HB2 ))
3.700 1.700 1.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.96408E-03 ppm1 2.259 ppm2 2.979 CV 1
ASSI ! 2362!
(( segid " " and resid 61 and name HE2 ))
(( segid " " and resid 99 and name HB2 ))
4.800 2.800 1.200 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.49772E-03 ppm1 2.091 ppm2 2.976 CV 1
ASSI ! 2363!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 99 and name HB2 ))
2.700 0.900 0.900 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 1.141 ppm2 2.979 CV 1
ASSI ! 2364!
(( segid " " and resid 61 and name HG2 ))
(( segid " " and resid 99 and name HB2 ))
3.600 1.600 1.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.92715E-03 ppm1 0.739 ppm2 2.976 CV 1
ASSI ! 2365!
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HB2 ))
3.600 1.600 1.600 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.10451E-02 ppm1 4.891 ppm2 2.964 CV 1
ASSI ! 2366!
(( segid " " and resid 99 and name HB1 ))
(( segid " " and resid 99 and name HB2 ))
1.900 0.400 0.400 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.62850E-02 ppm1 3.217 ppm2 2.973 CV 1
ASSI ! 2367!
(( segid " " and resid 61 and name HB1 ))
( segid " " and resid 99 and name HD# )
5.200 3.300 0.800 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.56836E-03 ppm1 1.267 ppm2 7.026 CV 1
ASSI ! 2368!
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 99 and name HD# )
5.600 3.900 0.400 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.28917E-03 ppm1 1.102 ppm2 7.026 CV 1
ASSI ! 2369!
(( segid " " and resid 61 and name HD1 ))
( segid " " and resid 99 and name HD# )
4.800 2.900 1.200 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.51582E-03 ppm1 0.985 ppm2 7.023 CV 1
ASSI ! 2370!
(( segid " " and resid 61 and name HD2 ))
( segid " " and resid 99 and name HD# )
4.100 2.100 1.900 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.24593E-03 ppm1 0.877 ppm2 7.026 CV 1
ASSI ! 2371!
(( segid " " and resid 61 and name HE1 ))
( segid " " and resid 99 and name HD# )
3.800 1.800 1.800 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.74018E-03 ppm1 2.259 ppm2 7.026 CV 1
ASSI ! 2372!
(( segid " " and resid 61 and name HE2 ))
( segid " " and resid 99 and name HD# )
4.600 2.600 1.400 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.65529E-03 ppm1 2.097 ppm2 7.020 CV 1
ASSI ! 2373!
(( segid " " and resid 61 and name HG1 ))
( segid " " and resid 99 and name HD# )
3.100 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.11516E-02 ppm1 1.141 ppm2 7.014 CV 1
ASSI ! 2374!
(( segid " " and resid 61 and name HG2 ))
( segid " " and resid 99 and name HD# )
3.900 1.900 1.900 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.14851E-02 ppm1 0.739 ppm2 7.023 CV 1
ASSI ! 2375!
(( segid " " and resid 62 and name HA ))
( segid " " and resid 99 and name HD# )
3.000 1.100 1.100 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.16861E-02 ppm1 5.632 ppm2 7.017 CV 1
ASSI ! 2376!
(( segid " " and resid 63 and name HB ))
( segid " " and resid 99 and name HD# )
4.000 2.000 2.000 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.60233E-03 ppm1 1.776 ppm2 7.020 CV 1
ASSI ! 2377!
( segid " " and resid 63 and name HG1#)
( segid " " and resid 99 and name HD# )
3.700 1.700 1.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.19901E-02 ppm1 0.759 ppm2 7.026 CV 1
ASSI ! 2378!
( segid " " and resid 63 and name HG2#)
( segid " " and resid 99 and name HD# )
5.400 3.600 0.600 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.42769E-03 ppm1 0.252 ppm2 7.026 CV 1
ASSI ! 2379!
(( segid " " and resid 98 and name HA ))
( segid " " and resid 99 and name HD# )
3.400 1.500 1.500 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.18012E-02 ppm1 5.172 ppm2 7.023 CV 1
ASSI ! 2380!
(( segid " " and resid 99 and name HA ))
( segid " " and resid 99 and name HD# )
3.400 1.400 1.400 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 4.885 ppm2 7.017 CV 1
ASSI ! 2381!
(( segid " " and resid 99 and name HB1 ))
( segid " " and resid 99 and name HD# )
2.700 0.900 0.900 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 3.217 ppm2 7.023 CV 1
ASSI ! 2382!
(( segid " " and resid 99 and name HB2 ))
( segid " " and resid 99 and name HD# )
2.800 1.000 1.000 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.25773E-02 ppm1 2.980 ppm2 7.023 CV 1
ASSI ! 2383!
(( segid " " and resid 103 and name HG1 ) or ( segid " " and resid 103 and name HG2 ))
( segid " " and resid 99 and name HD# )
4.700 2.800 1.300 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.40734E-03 ppm1 2.322 ppm2 7.020 CV 1
ASSI ! 2384!
(( segid " " and resid 104 and name HA ))
( segid " " and resid 99 and name HD# )
3.400 1.500 1.500 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 4.590 ppm2 7.021 CV 1
ASSI ! 2385!
(( segid " " and resid 105 and name HA ))
( segid " " and resid 99 and name HD# )
4.100 2.100 1.900 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.49917E-03 ppm1 5.598 ppm2 7.023 CV 1
ASSI ! 2386!
(( segid " " and resid 106 and name HA ))
( segid " " and resid 99 and name HD# )
3.700 1.700 1.700 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.47458E-03 ppm1 3.368 ppm2 7.020 CV 1
ASSI ! 2387!
(( segid " " and resid 62 and name HA ))
( segid " " and resid 99 and name HE# )
4.600 2.700 1.400 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.52039E-03 ppm1 5.632 ppm2 7.260 CV 1
ASSI ! 2388!
(( segid " " and resid 63 and name HB ))
( segid " " and resid 99 and name HE# )
3.000 1.100 1.100 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.22911E-02 ppm1 1.776 ppm2 7.263 CV 1
ASSI ! 2389!
( segid " " and resid 63 and name HG1#)
( segid " " and resid 99 and name HE# )
2.500 0.800 0.800 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.47662E-02 ppm1 0.756 ppm2 7.263 CV 1
ASSI ! 2390!
( segid " " and resid 63 and name HG2#)
( segid " " and resid 99 and name HE# )
4.800 2.900 1.200 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.68893E-03 ppm1 0.252 ppm2 7.263 CV 1
ASSI ! 2391!
(( segid " " and resid 99 and name HB1 ))
( segid " " and resid 99 and name HE# )
5.200 3.400 0.800 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.43878E-03 ppm1 3.208 ppm2 7.257 CV 1
ASSI ! 2392!
(( segid " " and resid 99 and name HB2 ))
( segid " " and resid 99 and name HE# )
5.200 3.300 0.800 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.45922E-03 ppm1 2.968 ppm2 7.263 CV 1
ASSI ! 2393!
(( segid " " and resid 104 and name HA ))
( segid " " and resid 99 and name HE# )
4.300 2.300 1.700 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.43787E-03 ppm1 4.603 ppm2 7.272 CV 1
ASSI ! 2394!
(( segid " " and resid 105 and name HA ))
( segid " " and resid 99 and name HE# )
3.100 1.200 1.200 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.16767E-02 ppm1 5.585 ppm2 7.262 CV 1
ASSI ! 2395!
(( segid " " and resid 105 and name HB2 ) or ( segid " " and resid 105 and name HB1 ))
( segid " " and resid 99 and name HE# )
4.800 2.900 1.200 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.64042E-03 ppm1 1.806 ppm2 7.263 CV 1
ASSI ! 2396!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 99 and name HN ))
3.700 1.800 1.800 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.44244E-03 ppm1 1.147 ppm2 8.981 CV 1
ASSI ! 2398!
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 99 and name HN ))
3.100 1.200 1.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.16024E-02 ppm1 5.632 ppm2 8.978 CV 1
ASSI ! 2400!
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HN ))
2.200 0.600 0.600 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.50420E-02 ppm1 5.176 ppm2 8.972 CV 1
ASSI ! 2403!
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 99 and name HN ))
2.700 0.900 0.900 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.20113E-02 ppm1 2.977 ppm2 8.972 CV 1
ASSI ! 2404!
( segid " " and resid 63 and name HG1#)
(( segid " " and resid 99 and name HZ ))
3.900 1.900 1.900 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 0.753 ppm2 6.888 CV 1
ASSI ! 2405!
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 100 and name HA ))
1.700 0.400 0.500 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.54685E-02 ppm1 4.621 ppm2 4.535 CV 1
ASSI ! 2408!
(( segid " " and resid 100 and name HG1 ))
(( segid " " and resid 100 and name HA ))
3.000 1.100 1.100 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.68777E-03 ppm1 1.342 ppm2 4.538 CV 1
ASSI ! 2409!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HA ))
3.800 1.800 1.800 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 0.472 ppm2 4.535 CV 1
ASSI ! 2410!
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB1 ))
2.400 0.700 0.700 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.28605E-02 ppm1 4.532 ppm2 1.885 CV 1
ASSI ! 2412!
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 100 and name HB1 ))
1.700 0.400 0.500 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.70691E-02 ppm1 1.492 ppm2 1.885 CV 1
ASSI ! 2413!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HB1 ))
2.600 0.800 0.800 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.16197E-02 ppm1 0.475 ppm2 1.885 CV 1
ASSI ! 2415!
(( segid " " and resid 103 and name HG2 ) or ( segid " " and resid 103 and name HG1 ))
(( segid " " and resid 100 and name HB1 ))
4.200 2.200 1.800 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 2.319 ppm2 1.882 CV 1
ASSI ! 2416!
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB2 ))
3.100 1.200 1.200 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.18091E-02 ppm1 4.535 ppm2 1.483 CV 1
ASSI ! 2418!
(( segid " " and resid 103 and name HB2 ) or ( segid " " and resid 103 and name HB1 ))
(( segid " " and resid 100 and name HB2 ))
3.300 1.400 1.400 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.71954E-03 ppm1 2.334 ppm2 1.492 CV 1
ASSI ! 2419!
(( segid " " and resid 103 and name HG1 ) or ( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 100 and name HB2 ))
3.300 1.400 1.400 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.91756E-03 ppm1 2.316 ppm2 1.501 CV 1
ASSI ! 2420!
(( segid " " and resid 100 and name HE1 ))
(( segid " " and resid 100 and name HD1 ))
2.600 0.800 0.800 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 3.059 ppm2 1.657 CV 1
ASSI ! 2421!
(( segid " " and resid 100 and name HE2 ))
(( segid " " and resid 100 and name HD1 ))
3.000 1.100 1.100 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.19818E-02 ppm1 2.727 ppm2 1.657 CV 1
ASSI ! 2422!
(( segid " " and resid 100 and name HG1 ))
(( segid " " and resid 100 and name HD1 ))
2.600 0.800 0.800 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.65961E-02 ppm1 1.339 ppm2 1.648 CV 1
ASSI ! 2423!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HD1 ))
2.800 1.000 1.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 0.472 ppm2 1.654 CV 1
ASSI ! 2424!
(( segid " " and resid 100 and name HE2 ))
(( segid " " and resid 100 and name HD2 ))
2.600 0.800 0.800 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.27825E-02 ppm1 2.724 ppm2 1.513 CV 1
ASSI ! 2425!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HD2 ))
2.900 1.000 1.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.32729E-02 ppm1 0.475 ppm2 1.513 CV 1
ASSI ! 2427!
(( segid " " and resid 100 and name HD2 ))
(( segid " " and resid 100 and name HE1 ))
2.700 0.900 0.900 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 1.522 ppm2 3.057 CV 1
ASSI ! 2428!
(( segid " " and resid 100 and name HE2 ))
(( segid " " and resid 100 and name HE1 ))
1.500 0.300 0.700 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.17151E-01 ppm1 2.727 ppm2 3.066 CV 1
ASSI ! 2431!
(( segid " " and resid 107 and name HB1 ))
(( segid " " and resid 100 and name HE1 ))
4.000 2.000 2.000 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.44032E-03 ppm1 4.229 ppm2 3.069 CV 1
ASSI ! 2438!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 100 and name HG1 ))
2.800 1.000 1.000 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.17472E-02 ppm1 1.881 ppm2 1.345 CV 1
ASSI ! 2439!
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 100 and name HG1 ))
3.100 1.200 1.200 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.21755E-02 ppm1 1.489 ppm2 1.348 CV 1
ASSI ! 2440!
(( segid " " and resid 100 and name HE1 ))
(( segid " " and resid 100 and name HG1 ))
3.300 1.400 1.400 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 3.056 ppm2 1.342 CV 1
ASSI ! 2441!
(( segid " " and resid 100 and name HE2 ))
(( segid " " and resid 100 and name HG1 ))
3.000 1.100 1.100 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 2.724 ppm2 1.342 CV 1
ASSI ! 2442!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HG1 ))
1.800 0.400 0.400 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.50278E-02 ppm1 0.475 ppm2 1.342 CV 1
ASSI ! 2443!
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 100 and name HG2 ))
4.400 2.500 1.600 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.65346E-03 ppm1 0.946 ppm2 0.479 CV 1
ASSI ! 2446!
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 100 and name HG2 ))
3.200 1.300 1.300 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.90394E-03 ppm1 1.489 ppm2 0.476 CV 1
ASSI ! 2449!
(( segid " " and resid 100 and name HE1 ))
(( segid " " and resid 100 and name HG2 ))
3.800 1.800 1.800 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 3.059 ppm2 0.470 CV 1
ASSI ! 2450!
(( segid " " and resid 100 and name HE2 ))
(( segid " " and resid 100 and name HG2 ))
3.000 1.100 1.100 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.15097E-02 ppm1 2.718 ppm2 0.473 CV 1
ASSI ! 2453!
(( segid " " and resid 99 and name HB1 ))
(( segid " " and resid 100 and name HN ))
3.900 1.900 1.900 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.52920E-03 ppm1 3.223 ppm2 9.479 CV 1
ASSI ! 2456!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 100 and name HN ))
4.000 2.000 2.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 1.884 ppm2 9.479 CV 1
ASSI ! 2458!
(( segid " " and resid 100 and name HD1 ))
(( segid " " and resid 100 and name HN ))
3.900 1.900 1.900 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.52762E-03 ppm1 1.662 ppm2 9.482 CV 1
ASSI ! 2460!
(( segid " " and resid 100 and name HG1 ))
(( segid " " and resid 100 and name HN ))
3.500 1.500 1.500 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.12345E-02 ppm1 1.342 ppm2 9.479 CV 1
ASSI ! 2461!
(( segid " " and resid 100 and name HG2 ))
(( segid " " and resid 100 and name HN ))
4.500 2.500 1.500 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.82025E-03 ppm1 0.475 ppm2 9.485 CV 1
ASSI ! 2462!
(( segid " " and resid 103 and name HB2 ) or ( segid " " and resid 103 and name HB1 ))
(( segid " " and resid 100 and name HN ))
3.500 1.500 1.500 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.61849E-03 ppm1 2.334 ppm2 9.482 CV 1
ASSI ! 2463!
(( segid " " and resid 103 and name HG1 ) or ( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 100 and name HN ))
4.300 2.300 1.700 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.51761E-03 ppm1 2.319 ppm2 9.479 CV 1
ASSI ! 2466!
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 101 and name HA ))
4.400 2.400 1.600 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.58049E-03 ppm1 2.463 ppm2 4.187 CV 1
ASSI ! 2467!
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 101 and name HA ))
4.700 2.800 1.300 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.76477E-03 ppm1 2.286 ppm2 4.190 CV 1
ASSI ! 2468!
(( segid " " and resid 101 and name HB2 ) or ( segid " " and resid 101 and name HB1 ))
(( segid " " and resid 101 and name HA ))
2.300 0.600 0.600 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.73034E-02 ppm1 1.818 ppm2 4.190 CV 1
ASSI ! 2469!
(( segid " " and resid 101 and name HD2 ) or ( segid " " and resid 101 and name HD1 ))
(( segid " " and resid 101 and name HA ))
3.900 1.900 1.900 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.18261E-02 ppm1 1.692 ppm2 4.190 CV 1
ASSI ! 2470!
(( segid " " and resid 101 and name HG2 ) or ( segid " " and resid 101 and name HG1 ))
(( segid " " and resid 101 and name HA ))
2.700 0.900 0.900 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.33215E-02 ppm1 1.408 ppm2 4.187 CV 1
ASSI ! 2473!
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 101 and name HN ))
4.300 2.300 1.700 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.31959E-03 ppm1 4.265 ppm2 8.070 CV 1
ASSI ! 2476!
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 101 and name HN ))
5.200 3.300 0.800 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.48584E-03 ppm1 2.463 ppm2 8.061 CV 1
ASSI ! 2481!
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 101 and name HN ))
2.600 0.800 0.800 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.33228E-02 ppm1 4.192 ppm2 8.058 CV 1
ASSI ! 2482!
(( segid " " and resid 101 and name HB1 ) or ( segid " " and resid 101 and name HB2 ))
(( segid " " and resid 101 and name HN ))
2.100 0.500 0.500 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.11130E-01 ppm1 1.803 ppm2 8.067 CV 1
ASSI ! 2483!
(( segid " " and resid 101 and name HG1 ) or ( segid " " and resid 101 and name HG2 ))
(( segid " " and resid 101 and name HN ))
4.000 2.000 2.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 1.409 ppm2 8.070 CV 1
ASSI ! 2487!
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 102 and name HN ))
2.000 0.500 0.500 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.85655E-02 ppm1 4.190 ppm2 8.898 CV 1
ASSI ! 2489!
(( segid " " and resid 101 and name HG1 ) or ( segid " " and resid 101 and name HG2 ))
(( segid " " and resid 102 and name HN ))
3.200 1.300 1.300 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 1.397 ppm2 8.897 CV 1
ASSI ! 2492!
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HB1 ))
2.500 0.800 0.800 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.47654E-02 ppm1 4.765 ppm2 2.352 CV 1
ASSI ! 2493!
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HB2 ))
2.800 1.000 1.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.48584E-02 ppm1 4.765 ppm2 2.301 CV 1
ASSI ! 2496!
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HN ))
3.000 1.100 1.100 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.21518E-02 ppm1 4.768 ppm2 8.049 CV 1
ASSI ! 2497!
(( segid " " and resid 103 and name HB2 ) or ( segid " " and resid 103 and name HB1 ))
(( segid " " and resid 103 and name HN ))
2.900 1.000 1.000 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.28536E-02 ppm1 2.334 ppm2 8.046 CV 1
ASSI ! 2498!
(( segid " " and resid 103 and name HG2 ) or ( segid " " and resid 103 and name HG1 ))
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.32645E-02 ppm1 2.322 ppm2 8.049 CV 1
(( segid " " and resid 103 and name HN ))
ASSI ! 2500!
(( segid " " and resid 104 and name HB1 ))
(( segid " " and resid 104 and name HA ))
2.700 0.900 0.900 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.50922E-02 ppm1 4.013 ppm2 4.589 CV 1
ASSI ! 2501!
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HA ))
2.700 0.900 0.900 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.50856E-02 ppm1 3.848 ppm2 4.598 CV 1
ASSI ! 2504!
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HB1 ))
1.700 0.400 0.500 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.19388E-01 ppm1 3.845 ppm2 4.025 CV 1
ASSI ! 2507!
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 104 and name HN ))
2.300 0.600 0.600 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.70089E-02 ppm1 4.765 ppm2 8.735 CV 1
ASSI ! 2508!
(( segid " " and resid 103 and name HB1 )or ( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 104 and name HN ))
3.600 1.600 1.600 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.94958E-03 ppm1 2.337 ppm2 8.735 CV 1
ASSI ! 2509!
(( segid " " and resid 103 and name HG1 ) or ( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 104 and name HN ))
4.200 2.200 1.800 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 2.325 ppm2 8.741 CV 1
ASSI ! 2510!
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HN ))
3.100 1.200 1.200 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 4.603 ppm2 8.734 CV 1
ASSI ! 2512!
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HN ))
3.300 1.300 1.300 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 3.845 ppm2 8.762 CV 1
ASSI ! 2514!
(( segid " " and resid 105 and name HB1 ) or ( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HA ))
2.700 0.900 0.900 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.34788E-02 ppm1 1.812 ppm2 5.587 CV 1
ASSI ! 2515!
(( segid " " and resid 105 and name HG1 ))
(( segid " " and resid 105 and name HA ))
3.600 1.600 1.600 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.87607E-03 ppm1 1.571 ppm2 5.587 CV 1
ASSI ! 2516!
(( segid " " and resid 105 and name HG2 ))
(( segid " " and resid 105 and name HA ))
3.400 1.400 1.400 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 1.439 ppm2 5.584 CV 1
ASSI ! 2518!
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB1 ))
3.200 1.200 1.200 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 5.589 ppm2 1.830 CV 1
ASSI ! 2519!
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB2 ))
3.000 1.100 1.100 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.18909E-02 ppm1 5.587 ppm2 1.772 CV 1
ASSI ! 2520!
(( segid " " and resid 105 and name HB2 ) or ( segid " " and resid 105 and name HB1 ))
(( segid " " and resid 105 and name HE2 ) or ( segid " " and resid 105 and name HE1 ))
3.700 1.700 1.700 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 1.809 ppm2 3.024 CV 1
ASSI ! 2521!
(( segid " " and resid 105 and name HG1 ))
(( segid " " and resid 105 and name HE2 ) or ( segid " " and resid 105 and name HE1 ))
3.000 1.100 1.100 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.38247E-02 ppm1 1.565 ppm2 3.021 CV 1
ASSI ! 2522!
(( segid " " and resid 105 and name HG2 ))
(( segid " " and resid 105 and name HE2 ) or ( segid " " and resid 105 and name HE1 ))
3.000 1.100 1.100 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.34774E-02 ppm1 1.442 ppm2 3.024 CV 1
ASSI ! 2524!
(( segid " " and resid 105 and name HB1 ) or ( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HG1 ))
2.500 0.800 0.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.66085E-02 ppm1 1.812 ppm2 1.570 CV 1
ASSI ! 2526!
(( segid " " and resid 105 and name HB2 ) or ( segid " " and resid 105 and name HB1 ))
(( segid " " and resid 105 and name HG2 ))
2.700 0.900 0.900 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.37397E-02 ppm1 1.803 ppm2 1.450 CV 1
ASSI ! 2527!
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 105 and name HN ))
4.600 2.600 1.400 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 4.768 ppm2 7.608 CV 1
ASSI ! 2528!
(( segid " " and resid 103 and name HB1 ) or ( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 105 and name HN ))
3.300 1.400 1.400 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.16676E-02 ppm1 2.346 ppm2 7.608 CV 1
ASSI ! 2529!
(( segid " " and resid 103 and name HG1 ) or ( segid " " and resid 103 and name HG2 ))
(( segid " " and resid 105 and name HN ))
4.400 2.400 1.600 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.10970E-02 ppm1 2.322 ppm2 7.605 CV 1
(( segid " " and resid 105 and name HN ))
ASSI ! 2534!
(( segid " " and resid 105 and name HB1 ) or ( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HN ))
2.600 0.900 0.900 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.39208E-02 ppm1 1.812 ppm2 7.608 CV 1
ASSI ! 2539!
(( segid " " and resid 106 and name HB1 ))
(( segid " " and resid 106 and name HA ))
3.200 1.300 1.300 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.13070E-02 ppm1 3.995 ppm2 3.378 CV 1
ASSI ! 2540!
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HA ))
3.000 1.200 1.200 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 2.778 ppm2 3.378 CV 1
ASSI ! 2542!
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HB1 ))
2.200 0.600 0.600 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.26421E-02 ppm1 2.775 ppm2 3.989 CV 1
ASSI ! 2547!
(( segid " " and resid 105 and name HB2 ) or ( segid " " and resid 105 and name HB1 ))
(( segid " " and resid 106 and name HN ))
3.500 1.600 1.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.17224E-02 ppm1 1.815 ppm2 8.228 CV 1
ASSI ! 2553!
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 107 and name HA ))
4.700 2.700 1.300 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.56778E-03 ppm1 3.383 ppm2 5.033 CV 1
ASSI ! 2554!
(( segid " " and resid 107 and name HB1 ))
(( segid " " and resid 107 and name HA ))
3.000 1.100 1.100 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.25105E-02 ppm1 4.229 ppm2 5.027 CV 1
ASSI ! 2555!
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HA ))
3.000 1.100 1.100 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.27363E-02 ppm1 4.118 ppm2 5.027 CV 1
ASSI ! 2556!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 107 and name HA ))
2.800 2.800 3.200 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.81955E-03 ppm1 0.328 ppm2 5.024 CV 1
ASSI ! 2570!
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HB1 ) or ( segid " " and resid 108 and name HB2 ))
3.100 1.200 1.200 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 4.756 ppm2 2.224 CV 1
ASSI ! 2572!
( segid " " and resid 53 and name HG2#)
( segid " " and resid 108 and name HD# )
4.400 2.400 1.600 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.28946E-03 ppm1 0.243 ppm2 5.275 CV 1
ASSI ! 2573!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
( segid " " and resid 108 and name HD# )
3.300 1.400 1.400 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.86565E-03 ppm1 2.213 ppm2 5.263 CV 1
ASSI ! 2574!
(( segid " " and resid 49 and name HA ))
( segid " " and resid 108 and name HE# )
4.200 2.200 1.800 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.56982E-03 ppm1 3.405 ppm2 5.892 CV 1
ASSI ! 2575!
( segid " " and resid 49 and name HD2#)
( segid " " and resid 108 and name HE# )
2.900 1.100 1.100 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 -1.153 ppm2 5.893 CV 1
ASSI ! 2576!
( segid " " and resid 53 and name HG2#)
( segid " " and resid 108 and name HE# )
2.800 1.000 1.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 0.243 ppm2 5.896 CV 1
ASSI ! 2577!
( segid " " and resid 110 and name HD1#)
( segid " " and resid 108 and name HE# )
2.600 0.800 0.800 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.20586E-02 ppm1 1.021 ppm2 5.893 CV 1
ASSI ! 2578!
(( segid " " and resid 110 and name HG11))
( segid " " and resid 108 and name HE# )
3.100 1.200 1.200 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.12861E-02 ppm1 1.707 ppm2 5.890 CV 1
ASSI ! 2579!
(( segid " " and resid 110 and name HG12))
( segid " " and resid 108 and name HE# )
3.700 1.700 1.700 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.72494E-03 ppm1 0.910 ppm2 5.893 CV 1
ASSI ! 2580!
(( segid " " and resid 98 and name HB1 ))
(( segid " " and resid 108 and name HN ))
4.400 2.400 1.600 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.63976E-03 ppm1 2.769 ppm2 7.818 CV 1
ASSI ! 2585!
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 108 and name HN ))
3.500 1.500 1.500 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.16826E-02 ppm1 5.020 ppm2 7.827 CV 1
ASSI ! 2586!
(( segid " " and resid 107 and name HB1 ))
(( segid " " and resid 108 and name HN ))
3.600 1.700 1.700 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 4.235 ppm2 7.827 CV 1
ASSI ! 2587!
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 108 and name HN ))
3.900 1.900 1.900 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.75692E-03 ppm1 4.130 ppm2 7.827 CV 1
ASSI ! 2588!
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HN ))
2.800 1.000 1.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 4.757 ppm2 7.819 CV 1
ASSI ! 2590!
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 109 and name HA ))
2.700 0.900 0.900 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.38843E-02 ppm1 1.459 ppm2 5.218 CV 1
ASSI ! 2591!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 109 and name HA ))
2.500 0.800 0.800 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.48393E-02 ppm1 0.321 ppm2 5.215 CV 1
ASSI ! 2592!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 109 and name HA ))
2.700 0.900 0.900 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.30662E-02 ppm1 0.322 ppm2 5.218 CV 1
ASSI ! 2595!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 109 and name HB ))
2.300 0.700 0.700 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.73524E-02 ppm1 0.321 ppm2 1.459 CV 1
ASSI ! 2596!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 109 and name HB ))
2.400 0.700 0.700 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.73424E-02 ppm1 0.325 ppm2 1.462 CV 1
ASSI ! 2597!
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
4.700 2.700 1.300 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.37747E-03 ppm1 4.691 ppm2 0.323 CV 1
ASSI ! 2598!
(( segid " " and resid 95 and name HB1 ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.900 1.900 1.900 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.81373E-03 ppm1 0.940 ppm2 0.320 CV 1
ASSI ! 2599!
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
4.000 2.000 2.000 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.13002E-02 ppm1 0.844 ppm2 0.314 CV 1
ASSI ! 2600!
(( segid " " and resid 95 and name HD1 ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.200 1.300 1.300 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.20914E-02 ppm1 1.210 ppm2 0.317 CV 1
ASSI ! 2601!
(( segid " " and resid 95 and name HD2 ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.200 1.300 1.300 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 1.036 ppm2 0.317 CV 1
ASSI ! 2602!
(( segid " " and resid 95 and name HE2 ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
4.300 2.300 1.700 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.82220E-03 ppm1 2.451 ppm2 0.323 CV 1
ASSI ! 2603!
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
3.400 1.500 1.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.74911E-03 ppm1 5.029 ppm2 0.317 CV 1
ASSI ! 2604!
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 109 and name HG2#) or ( segid " " and resid 109 and name HG1#))
4.300 2.400 1.700 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.68448E-03 ppm1 4.755 ppm2 0.321 CV 1
ASSI ! 2605!
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HG1#) or ( segid " " and resid 109 and name HG2#))
2.700 0.900 0.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.32781E-02 ppm1 5.218 ppm2 0.321 CV 1
ASSI ! 2606!
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 109 and name HG2#) or ( segid " " and resid 109 and name HG1#))
2.200 0.600 0.600 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.12111E-01 ppm1 1.459 ppm2 0.323 CV 1
ASSI ! 2610!
(( segid " " and resid 108 and name HB2 ) or ( segid " " and resid 108 and name HB1 ))
(( segid " " and resid 109 and name HN ))
4.900 3.000 1.100 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.54839E-03 ppm1 2.211 ppm2 7.767 CV 1
ASSI ! 2613!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 109 and name HN ))
4.300 2.300 1.700 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 0.315 ppm2 7.767 CV 1
ASSI ! 2614!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 109 and name HN ))
2.700 0.900 0.900 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.46104E-02 ppm1 0.322 ppm2 7.761 CV 1
ASSI ! 2615!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 110 and name HA ))
5.300 3.500 0.700 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.39954E-03 ppm1 0.331 ppm2 4.004 CV 1
ASSI ! 2616!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 110 and name HA ))
4.400 2.500 1.600 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 1.024 ppm2 4.022 CV 1
ASSI ! 2617!
(( segid " " and resid 110 and name HG11))
(( segid " " and resid 110 and name HA ))
3.400 1.400 1.400 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 1.704 ppm2 4.019 CV 1
ASSI ! 2618!
(( segid " " and resid 110 and name HG12))
(( segid " " and resid 110 and name HA ))
2.800 1.000 1.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 0.904 ppm2 4.010 CV 1
ASSI ! 2619!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 110 and name HA ))
2.700 0.900 0.900 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.35481E-02 ppm1 0.811 ppm2 4.007 CV 1
ASSI ! 2621!
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 110 and name HB ))
3.400 1.500 1.500 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.77972E-03 ppm1 4.011 ppm2 1.441 CV 1
ASSI ! 2622!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 110 and name HB ))
2.600 0.800 0.800 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.36988E-02 ppm1 1.027 ppm2 1.444 CV 1
ASSI ! 2623!
(( segid " " and resid 110 and name HG12))
(( segid " " and resid 110 and name HB ))
3.600 1.600 1.600 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.88205E-03 ppm1 0.910 ppm2 1.438 CV 1
ASSI ! 2625!
(( segid " " and resid 45 and name HA ))
( segid " " and resid 110 and name HD1#)
3.100 1.200 1.200 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.19141E-02 ppm1 3.809 ppm2 1.015 CV 1
ASSI ! 2627!
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 110 and name HD1#)
3.500 1.600 1.600 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.16854E-02 ppm1 3.284 ppm2 1.027 CV 1
ASSI ! 2628!
( segid " " and resid 49 and name HD1#)
( segid " " and resid 110 and name HD1#)
3.800 1.800 1.800 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.36338E-02 ppm1 0.600 ppm2 1.036 CV 1
ASSI ! 2632!
( segid " " and resid 110 and name HG2#)
( segid " " and resid 110 and name HD1#)
2.200 0.600 0.600 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.91349E-02 ppm1 0.811 ppm2 1.024 CV 1
ASSI ! 2633!
( segid " " and resid 49 and name HD1#)
(( segid " " and resid 110 and name HG11))
5.400 3.600 0.600 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 0.597 ppm2 1.711 CV 1
ASSI ! 2635!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 110 and name HG11))
2.300 0.700 0.700 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.42944E-02 ppm1 1.024 ppm2 1.702 CV 1
ASSI ! 2636!
(( segid " " and resid 110 and name HG12))
(( segid " " and resid 110 and name HG11))
2.000 0.500 0.500 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.29422E-02 ppm1 0.910 ppm2 1.696 CV 1
ASSI ! 2637!
( segid " " and resid 110 and name HG2#)
(( segid " " and resid 110 and name HG11))
4.300 2.300 1.700 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.96179E-03 ppm1 0.811 ppm2 1.714 CV 1
ASSI ! 2639!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 110 and name HG12))
2.000 0.500 0.500 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.12455E-01 ppm1 1.018 ppm2 0.919 CV 1
ASSI ! 2640!
( segid " " and resid 93 and name HE# )
( segid " " and resid 110 and name HG2#)
2.200 0.600 0.600 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.12043E-01 ppm1 1.872 ppm2 0.811 CV 1
ASSI ! 2643!
(( segid " " and resid 110 and name HB ))
( segid " " and resid 110 and name HG2#)
2.200 0.600 0.600 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.72921E-02 ppm1 1.444 ppm2 0.814 CV 1
ASSI ! 2649!
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 110 and name HN ))
2.100 0.500 0.500 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.74778E-02 ppm1 5.217 ppm2 8.611 CV 1
ASSI ! 2650!
(( segid " " and resid 109 and name HB ))
(( segid " " and resid 110 and name HN ))
4.100 2.100 1.900 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.85481E-03 ppm1 1.456 ppm2 8.612 CV 1
ASSI ! 2651!
( segid " " and resid 109 and name HG1#)
(( segid " " and resid 110 and name HN ))
2.500 0.800 0.800 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.36828E-02 ppm1 0.321 ppm2 8.615 CV 1
ASSI ! 2652!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 110 and name HN ))
4.200 2.200 1.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.19308E-02 ppm1 0.325 ppm2 8.615 CV 1
ASSI ! 2655!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 110 and name HN ))
3.000 1.100 1.100 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.62007E-03 ppm1 1.015 ppm2 8.618 CV 1
ASSI ! 2659!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HB1 ))
2.700 0.900 0.900 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 4.756 ppm2 2.817 CV 1
ASSI ! 2660!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HB2 ))
3.500 1.500 1.500 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 4.756 ppm2 2.679 CV 1
ASSI ! 2662!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 111 and name HD21))
5.200 3.400 0.800 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.52654E-03 ppm1 0.328 ppm2 7.569 CV 1
ASSI ! 2663!
(( segid " " and resid 111 and name HB1 ))
(( segid " " and resid 111 and name HD21))
3.200 1.300 1.300 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 2.829 ppm2 7.572 CV 1
ASSI ! 2664!
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HD21))
3.600 1.600 1.600 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 2.679 ppm2 7.569 CV 1
ASSI ! 2665!
(( segid " " and resid 95 and name HE2 ))
(( segid " " and resid 111 and name HD22))
3.600 1.700 1.700 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 2.451 ppm2 7.041 CV 1
ASSI ! 2666!
( segid " " and resid 109 and name HG2#)
(( segid " " and resid 111 and name HD22))
4.200 2.300 1.800 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 0.328 ppm2 7.041 CV 1
ASSI ! 2667!
(( segid " " and resid 111 and name HB1 ))
(( segid " " and resid 111 and name HD22))
4.200 2.200 1.800 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.98555E-03 ppm1 2.835 ppm2 7.041 CV 1
ASSI ! 2669!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 111 and name HN ))
3.900 1.900 1.900 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.95527E-03 ppm1 1.875 ppm2 8.942 CV 1
ASSI ! 2673!
(( segid " " and resid 110 and name HG12))
(( segid " " and resid 111 and name HN ))
5.500 3.800 0.500 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.37112E-03 ppm1 0.907 ppm2 8.942 CV 1
ASSI ! 2674!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HN ))
3.000 1.200 1.200 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 4.762 ppm2 8.939 CV 1
ASSI ! 2680!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 112 and name HA1 ))
3.100 1.200 1.200 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.25359E-02 ppm1 4.001 ppm2 4.457 CV 1
ASSI ! 2681!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 112 and name HA1 ))
2.400 0.700 0.700 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 3.626 ppm2 4.463 CV 1
ASSI ! 2682!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 112 and name HA2 ))
3.500 1.500 1.500 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.48821E-02 ppm1 1.875 ppm2 3.845 CV 1
ASSI ! 2683!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 112 and name HA2 ))
4.200 2.200 1.800 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.68806E-03 ppm1 4.771 ppm2 3.842 CV 1
ASSI ! 2684!
(( segid " " and resid 112 and name HA1 ))
(( segid " " and resid 112 and name HA2 ))
1.900 0.400 0.400 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.68008E-02 ppm1 4.457 ppm2 3.851 CV 1
ASSI ! 2686!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 112 and name HA2 ))
2.900 1.000 1.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.27640E-02 ppm1 4.001 ppm2 3.854 CV 1
ASSI ! 2687!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 112 and name HA2 ))
3.400 1.400 1.400 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.28463E-02 ppm1 3.629 ppm2 3.848 CV 1
ASSI ! 2688!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 112 and name HN ))
3.600 1.600 1.600 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.20601E-02 ppm1 1.875 ppm2 7.986 CV 1
ASSI ! 2689!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 112 and name HN ))
3.600 1.600 1.600 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.56811E-03 ppm1 4.774 ppm2 7.986 CV 1
ASSI ! 2691!
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 112 and name HN ))
2.200 0.600 0.600 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.79276E-02 ppm1 4.762 ppm2 7.977 CV 1
ASSI ! 2692!
(( segid " " and resid 111 and name HB1 ))
(( segid " " and resid 112 and name HN ))
3.000 1.100 1.100 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.17866E-02 ppm1 2.829 ppm2 7.986 CV 1
ASSI ! 2694!
(( segid " " and resid 112 and name HA1 ))
(( segid " " and resid 112 and name HN ))
2.700 0.900 0.900 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.24642E-02 ppm1 4.457 ppm2 7.983 CV 1
ASSI ! 2699!
(( segid " " and resid 113 and name HB1 ))
(( segid " " and resid 113 and name HA ))
2.100 0.600 0.600 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.73092E-02 ppm1 2.304 ppm2 4.610 CV 1
ASSI ! 2700!
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 113 and name HA ))
2.500 0.800 0.800 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.54893E-02 ppm1 1.980 ppm2 4.607 CV 1
ASSI ! 2701!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 113 and name HA ))
4.200 2.200 1.800 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.12693E-02 ppm1 2.232 ppm2 4.610 CV 1
ASSI ! 2702!
(( segid " " and resid 113 and name HG2 ))
(( segid " " and resid 113 and name HA ))
4.100 2.100 1.900 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 1.893 ppm2 4.610 CV 1
ASSI ! 2704!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 113 and name HB1 ))
3.400 1.500 1.500 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.83421E-03 ppm1 3.998 ppm2 2.304 CV 1
ASSI ! 2705!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 113 and name HB1 ))
3.900 1.900 1.900 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 3.632 ppm2 2.298 CV 1
ASSI ! 2707!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 113 and name HB2 ))
4.400 2.400 1.600 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.83525E-03 ppm1 4.001 ppm2 1.987 CV 1
ASSI ! 2708!
(( segid " " and resid 113 and name HD2 ))
(( segid " " and resid 113 and name HB2 ))
4.100 2.100 1.900 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 3.629 ppm2 1.984 CV 1
ASSI ! 2709!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 113 and name HB2 ))
2.500 0.800 0.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.49813E-02 ppm1 2.235 ppm2 1.984 CV 1
ASSI ! 2710!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 113 and name HD1 ))
4.100 2.100 1.900 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 1.878 ppm2 4.001 CV 1
ASSI ! 2714!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 113 and name HD1 ))
2.600 0.800 0.800 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.20906E-02 ppm1 2.232 ppm2 4.001 CV 1
ASSI ! 2715!
(( segid " " and resid 113 and name HG2 ))
(( segid " " and resid 113 and name HD1 ))
3.200 1.300 1.300 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.20990E-02 ppm1 1.896 ppm2 4.004 CV 1
ASSI ! 2716!
( segid " " and resid 93 and name HE# )
(( segid " " and resid 113 and name HD2 ))
2.900 1.100 1.100 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.21104E-02 ppm1 1.875 ppm2 3.653 CV 1
ASSI ! 2720!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 113 and name HD2 ))
2.900 1.000 1.000 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.26394E-02 ppm1 2.235 ppm2 3.632 CV 1
ASSI ! 2721!
(( segid " " and resid 113 and name HG2 ))
(( segid " " and resid 113 and name HD2 ))
2.500 0.800 0.800 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.17823E-02 ppm1 1.896 ppm2 3.638 CV 1
ASSI ! 2722!
(( segid " " and resid 112 and name HA2 ))
(( segid " " and resid 113 and name HG1 ))
6.000 4.700 0.000 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.29351E-03 ppm1 3.851 ppm2 2.244 CV 1
ASSI ! 2727!
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 114 and name HA1 ))
5.100 3.200 0.900 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.16499E-02 ppm1 1.575 ppm2 4.055 CV 1
ASSI ! 2728!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 114 and name HA1 ))
3.200 1.300 1.300 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.63170E-03 ppm1 4.768 ppm2 4.055 CV 1
ASSI ! 2729!
(( segid " " and resid 114 and name HA2 ))
(( segid " " and resid 114 and name HA1 ))
1.700 0.300 0.500 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.70247E-02 ppm1 3.188 ppm2 4.049 CV 1
ASSI ! 2730!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 114 and name HA2 ))
3.100 1.200 1.200 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.60524E-03 ppm1 2.652 ppm2 3.195 CV 1
ASSI ! 2731!
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 114 and name HA2 ))
3.400 1.500 1.500 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.55528E-03 ppm1 2.562 ppm2 3.192 CV 1
ASSI ! 2734!
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 114 and name HA2 ))
5.200 3.400 0.800 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.80862E-03 ppm1 1.569 ppm2 3.189 CV 1
ASSI ! 2735!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 114 and name HA2 ))
4.500 2.500 1.500 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 4.762 ppm2 3.195 CV 1
ASSI ! 2739!
(( segid " " and resid 92 and name HD1 ) or ( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 114 and name HN ))
5.200 3.400 0.800 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.71460E-03 ppm1 1.572 ppm2 8.936 CV 1
ASSI ! 2740!
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 114 and name HN ))
3.200 1.300 1.300 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.19263E-02 ppm1 4.765 ppm2 8.939 CV 1
ASSI ! 2741!
(( segid " " and resid 112 and name HA1 ))
(( segid " " and resid 114 and name HN ))
4.400 2.400 1.600 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.50523E-03 ppm1 4.457 ppm2 8.939 CV 1
ASSI ! 2742!
(( segid " " and resid 112 and name HA2 ))
(( segid " " and resid 114 and name HN ))
4.400 2.400 1.600 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.64931E-03 ppm1 3.851 ppm2 8.942 CV 1
ASSI ! 2746!
(( segid " " and resid 113 and name HD1 ))
(( segid " " and resid 114 and name HN ))
2.600 2.600 3.400 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 4.007 ppm2 8.939 CV 1
ASSI ! 2748!
(( segid " " and resid 113 and name HG1 ))
(( segid " " and resid 114 and name HN ))
5.200 3.300 0.800 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.80214E-03 ppm1 2.232 ppm2 8.939 CV 1
ASSI ! 2754!
(( segid " " and resid 115 and name HD1 ) or ( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 115 and name HA ))
3.200 1.300 1.300 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.28340E-02 ppm1 1.677 ppm2 4.526 CV 1
ASSI ! 2755!
(( segid " " and resid 115 and name HG1 ) or ( segid " " and resid 115 and name HG2 ))
(( segid " " and resid 115 and name HA ))
2.700 0.900 0.900 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.44422E-02 ppm1 1.463 ppm2 4.526 CV 1
ASSI ! 2756!
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 115 and name HB1 ))
5.000 3.200 1.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.92155E-03 ppm1 4.608 ppm2 1.887 CV 1
ASSI ! 2757!
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HB1 ))
2.700 0.900 0.900 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.55054E-02 ppm1 4.526 ppm2 1.891 CV 1
ASSI ! 2758!
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HB1 ))
1.600 0.300 0.600 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.20201E-01 ppm1 1.704 ppm2 1.882 CV 1
ASSI ! 2759!
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HB2 ))
2.400 0.700 0.700 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.57488E-02 ppm1 4.523 ppm2 1.702 CV 1
ASSI ! 2760!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 115 and name HB2 ))
2.600 0.900 0.900 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 0.877 ppm2 1.702 CV 1
ASSI ! 2761!
(( segid " " and resid 115 and name HD1 ) or ( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 115 and name HE1 ) or ( segid " " and resid 115 and name HE2 ))
2.400 0.700 0.700 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.82034E-02 ppm1 1.677 ppm2 2.994 CV 1
ASSI ! 2762!
(( segid " " and resid 115 and name HG1 ) or ( segid " " and resid 115 and name HG2 ))
(( segid " " and resid 115 and name HE2 ) or ( segid " " and resid 115 and name HE1 ))
2.600 0.900 0.900 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.68287E-02 ppm1 1.457 ppm2 3.003 CV 1
ASSI ! 2764!
(( segid " " and resid 115 and name HB1 ))
(( segid " " and resid 115 and name HG1 ) or ( segid " " and resid 115 and name HG2 ))
2.300 0.700 0.700 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.71954E-02 ppm1 1.884 ppm2 1.468 CV 1
ASSI ! 2765!
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HG2 ) or ( segid " " and resid 115 and name HG1 ))
2.500 0.800 0.800 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.76493E-02 ppm1 1.716 ppm2 1.462 CV 1
ASSI ! 2768!
(( segid " " and resid 114 and name HA1 ))
(( segid " " and resid 115 and name HN ))
2.600 0.800 0.800 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.30981E-02 ppm1 4.058 ppm2 9.548 CV 1
ASSI ! 2769!
(( segid " " and resid 114 and name HA2 ))
(( segid " " and resid 115 and name HN ))
3.300 1.400 1.400 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.15450E-02 ppm1 3.191 ppm2 9.554 CV 1
ASSI ! 2770!
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 115 and name HN ))
2.700 0.900 0.900 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 4.529 ppm2 9.548 CV 1
ASSI ! 2771!
(( segid " " and resid 115 and name HB1 ))
(( segid " " and resid 115 and name HN ))
3.400 1.400 1.400 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.18208E-02 ppm1 1.887 ppm2 9.548 CV 1
ASSI ! 2772!
(( segid " " and resid 115 and name HB2 ))
(( segid " " and resid 115 and name HN ))
2.900 1.100 1.100 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.26201E-02 ppm1 1.704 ppm2 9.548 CV 1
ASSI ! 2774!
(( segid " " and resid 115 and name HG1 ) or ( segid " " and resid 115 and name HG2 ))
(( segid " " and resid 115 and name HN ))
3.600 1.600 1.600 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.28046E-02 ppm1 1.466 ppm2 9.551 CV 1
ASSI ! 2778!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 116 and name HA ))
3.500 1.600 1.600 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.23953E-02 ppm1 0.868 ppm2 3.569 CV 1
ASSI ! 2779!
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HB ))
2.600 0.800 0.800 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.41231E-02 ppm1 3.568 ppm2 4.077 CV 1
ASSI ! 2781!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 116 and name HB ))
2.200 0.600 0.600 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.11553E-01 ppm1 0.868 ppm2 4.073 CV 1
ASSI ! 2784!
(( segid " " and resid 67 and name HG2 ))
( segid " " and resid 116 and name HG2#)
3.700 1.700 1.700 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.76921E-03 ppm1 2.571 ppm2 0.868 CV 1
ASSI ! 2785!
(( segid " " and resid 115 and name HB1 ))
( segid " " and resid 116 and name HG2#)
3.300 1.300 1.300 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 1.884 ppm2 0.865 CV 1
ASSI ! 2790!
(( segid " " and resid 118 and name HB1 ))
( segid " " and resid 116 and name HG2#)
4.600 2.600 1.400 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.76518E-03 ppm1 2.190 ppm2 0.868 CV 1
ASSI ! 2791!
(( segid " " and resid 118 and name HB2 ))
( segid " " and resid 116 and name HG2#)
3.300 1.300 1.300 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 1.791 ppm2 0.868 CV 1
ASSI ! 2792!
(( segid " " and resid 118 and name HG1 ))
( segid " " and resid 116 and name HG2#)
4.300 2.300 1.700 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.68951E-03 ppm1 2.289 ppm2 0.865 CV 1
ASSI ! 2793!
(( segid " " and resid 118 and name HG2 ))
( segid " " and resid 116 and name HG2#)
4.500 2.500 1.500 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.70803E-03 ppm1 2.118 ppm2 0.868 CV 1
ASSI ! 2794!
(( segid " " and resid 120 and name HA ))
( segid " " and resid 116 and name HG2#)
3.200 1.200 1.200 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 4.265 ppm2 0.865 CV 1
ASSI ! 2795!
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 116 and name HN ))
3.900 1.900 1.900 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 2.655 ppm2 7.329 CV 1
ASSI ! 2797!
(( segid " " and resid 114 and name HA1 ))
(( segid " " and resid 116 and name HN ))
3.800 1.800 1.800 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.47147E-03 ppm1 4.049 ppm2 7.326 CV 1
ASSI ! 2799!
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 116 and name HN ))
2.900 1.000 1.000 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.39890E-02 ppm1 4.526 ppm2 7.329 CV 1
ASSI ! 2800!
(( segid " " and resid 115 and name HB1 ))
(( segid " " and resid 116 and name HN ))
3.100 1.200 1.200 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.10098E-02 ppm1 1.887 ppm2 7.323 CV 1
ASSI ! 2802!
(( segid " " and resid 115 and name HD1 ) or ( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 116 and name HN ))
2.600 2.600 3.400 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 1.689 ppm2 7.332 CV 1
ASSI ! 2803!
(( segid " " and resid 115 and name HG2 ) or ( segid " " and resid 115 and name HG1 ))
(( segid " " and resid 116 and name HN ))
3.800 1.800 1.800 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.13287E-02 ppm1 1.454 ppm2 7.326 CV 1
ASSI ! 2804!
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HN ))
3.200 1.300 1.300 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 3.571 ppm2 7.332 CV 1
ASSI ! 2806!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 116 and name HN ))
2.700 0.900 0.900 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.45095E-02 ppm1 0.868 ppm2 7.329 CV 1
ASSI ! 2810!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 117 and name HB1 ))
4.100 2.100 1.900 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.62264E-03 ppm1 1.144 ppm2 2.754 CV 1
ASSI ! 2811!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HB1 ))
2.400 0.700 0.700 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.34940E-02 ppm1 4.915 ppm2 2.745 CV 1
ASSI ! 2812!
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HB1 ))
1.700 0.400 0.500 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.15172E-01 ppm1 2.589 ppm2 2.754 CV 1
ASSI ! 2813!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 117 and name HB2 ))
3.900 1.900 1.900 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.83948E-03 ppm1 1.138 ppm2 2.583 CV 1
ASSI ! 2814!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 117 and name HB2 ))
3.800 1.800 1.800 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.15437E-02 ppm1 0.962 ppm2 2.583 CV 1
ASSI ! 2815!
( segid " " and resid 116 and name HG2#)
(( segid " " and resid 117 and name HB2 ))
4.500 2.500 1.500 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 0.868 ppm2 2.568 CV 1
ASSI ! 2816!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HB2 ))
2.900 1.100 1.100 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.28287E-02 ppm1 4.912 ppm2 2.589 CV 1
ASSI ! 2818!
( segid " " and resid 65 and name HD2#)
(( segid " " and resid 117 and name HD21))
4.600 2.700 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.70002E-03 ppm1 0.953 ppm2 8.267 CV 1
ASSI ! 2819!
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 117 and name HD21))
3.900 1.900 1.900 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.93380E-03 ppm1 3.938 ppm2 8.267 CV 1
ASSI ! 2820!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HD21))
1.800 0.400 0.400 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.42001E-02 ppm1 4.915 ppm2 8.264 CV 1
ASSI ! 2821!
(( segid " " and resid 117 and name HB1 ))
(( segid " " and resid 117 and name HD21))
3.200 1.200 1.200 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.754 ppm2 8.270 CV 1
ASSI ! 2822!
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HD21))
3.900 1.900 1.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.89804E-03 ppm1 2.586 ppm2 8.270 CV 1
ASSI ! 2823!
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 117 and name HD22))
4.200 2.200 1.800 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 3.938 ppm2 6.852 CV 1
ASSI ! 2824!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HD22))
3.600 1.600 1.600 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.24427E-02 ppm1 4.918 ppm2 6.846 CV 1
ASSI ! 2825!
(( segid " " and resid 117 and name HB1 ))
(( segid " " and resid 117 and name HD22))
3.400 1.500 1.500 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.21041E-02 ppm1 2.760 ppm2 6.864 CV 1
ASSI ! 2826!
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HD22))
3.500 1.500 1.500 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.25226E-02 ppm1 2.586 ppm2 6.858 CV 1
ASSI ! 2831!
(( segid " " and resid 117 and name HB1 ))
(( segid " " and resid 117 and name HN ))
3.800 1.800 1.800 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.22411E-02 ppm1 2.757 ppm2 8.034 CV 1
ASSI ! 2832!
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HN ))
2.600 0.800 0.800 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.28060E-02 ppm1 2.586 ppm2 8.034 CV 1
ASSI ! 2837!
(( segid " " and resid 69 and name HG1 ))
(( segid " " and resid 118 and name HA ))
2.700 0.900 0.900 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.24186E-02 ppm1 1.040 ppm2 4.121 CV 1
ASSI ! 2838!
(( segid " " and resid 118 and name HB1 ))
(( segid " " and resid 118 and name HA ))
2.600 0.800 0.800 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.37684E-02 ppm1 2.190 ppm2 4.115 CV 1
ASSI ! 2840!
(( segid " " and resid 118 and name HG1 ))
(( segid " " and resid 118 and name HA ))
3.600 1.600 1.600 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 2.292 ppm2 4.115 CV 1
ASSI ! 2841!
(( segid " " and resid 118 and name HG2 ))
(( segid " " and resid 118 and name HA ))
3.000 1.100 1.100 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.28946E-02 ppm1 2.118 ppm2 4.112 CV 1
ASSI ! 2847!
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HB2 ))
3.000 1.100 1.100 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.35386E-02 ppm1 4.109 ppm2 1.804 CV 1
ASSI ! 2848!
(( segid " " and resid 118 and name HB1 ))
(( segid " " and resid 118 and name HB2 ))
1.800 0.400 0.400 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.12616E-01 ppm1 2.190 ppm2 1.798 CV 1
ASSI ! 2849!
(( segid " " and resid 118 and name HG1 ))
(( segid " " and resid 118 and name HB2 ))
2.500 0.800 0.800 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.54706E-02 ppm1 2.286 ppm2 1.798 CV 1
ASSI ! 2850!
(( segid " " and resid 118 and name HG2 ))
(( segid " " and resid 118 and name HB2 ))
2.800 1.000 1.000 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.62622E-02 ppm1 2.118 ppm2 1.801 CV 1
ASSI ! 2852!
(( segid " " and resid 118 and name HG2 ))
(( segid " " and resid 118 and name HG1 ))
1.700 0.300 0.500 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.19669E-01 ppm1 2.112 ppm2 2.289 CV 1
ASSI ! 2855!
(( segid " " and resid 116 and name HB ))
(( segid " " and resid 118 and name HN ))
4.900 3.000 1.100 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.48360E-03 ppm1 4.085 ppm2 8.363 CV 1
ASSI ! 2864!
(( segid " " and resid 119 and name HB1 ))
(( segid " " and resid 119 and name HA ))
2.600 0.800 0.800 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.40761E-02 ppm1 2.926 ppm2 4.634 CV 1
ASSI ! 2865!
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 119 and name HA ))
2.900 1.000 1.000 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.27101E-02 ppm1 2.770 ppm2 4.637 CV 1
ASSI ! 2866!
( segid " " and resid 120 and name HB# )
(( segid " " and resid 119 and name HA ))
4.300 2.300 1.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.18238E-02 ppm1 1.260 ppm2 4.642 CV 1
ASSI ! 2869!
(( segid " " and resid 68 and name HA ))
( segid " " and resid 119 and name HD# )
3.600 1.600 1.600 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.80954E-03 ppm1 3.758 ppm2 7.221 CV 1
ASSI ! 2870!
(( segid " " and resid 69 and name HD1 ) or ( segid " " and resid 69 and name HD2 ))
( segid " " and resid 119 and name HD# )
4.200 2.200 1.800 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.45012E-03 ppm1 1.533 ppm2 7.221 CV 1
ASSI ! 2871!
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
( segid " " and resid 119 and name HD# )
2.700 2.700 3.300 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.98472E-03 ppm1 2.826 ppm2 7.224 CV 1
ASSI ! 2872!
(( segid " " and resid 119 and name HA ))
( segid " " and resid 119 and name HD# )
2.900 1.100 1.100 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.27667E-02 ppm1 4.641 ppm2 7.219 CV 1
ASSI ! 2873!
(( segid " " and resid 119 and name HB1 ))
( segid " " and resid 119 and name HD# )
2.800 1.000 1.000 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.31446E-02 ppm1 2.923 ppm2 7.221 CV 1
ASSI ! 2874!
(( segid " " and resid 119 and name HB2 ))
( segid " " and resid 119 and name HD# )
2.900 1.000 1.000 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.32073E-02 ppm1 2.767 ppm2 7.227 CV 1
ASSI ! 2875!
(( segid " " and resid 69 and name HE2 ) or ( segid " " and resid 69 and name HE1 ))
(( segid " " and resid 119 and name HN ))
2.600 2.600 3.400 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.12278E-02 ppm1 2.829 ppm2 7.914 CV 1
ASSI ! 2887!
( segid " " and resid 120 and name HB# )
(( segid " " and resid 120 and name HA ))
2.200 0.600 0.600 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.12842E-01 ppm1 1.263 ppm2 4.274 CV 1
ASSI ! 2888!
(( segid " " and resid 67 and name HB1 ) or ( segid " " and resid 67 and name HB2 ))
( segid " " and resid 120 and name HB# )
3.100 1.200 1.200 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 2.019 ppm2 1.258 CV 1
ASSI ! 2889!
( segid " " and resid 116 and name HG2#)
( segid " " and resid 120 and name HB# )
2.800 1.000 1.000 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.35236E-02 ppm1 0.877 ppm2 1.270 CV 1
ASSI ! 2898!
(( segid " " and resid 121 and name HB1 ))
(( segid " " and resid 121 and name HA ))
2.800 1.000 1.000 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.52077E-02 ppm1 3.079 ppm2 4.406 CV 1
ASSI ! 2899!
(( segid " " and resid 121 and name HB2 ))
(( segid " " and resid 121 and name HA ))
2.600 0.800 0.800 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.63996E-02 ppm1 2.890 ppm2 4.403 CV 1
ASSI ! 2901!
(( segid " " and resid 121 and name HB2 ))
(( segid " " and resid 121 and name HB1 ))
1.500 0.300 0.700 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.37416E-01 ppm1 2.884 ppm2 3.078 CV 1
ASSI ! 2904!
(( segid " " and resid 121 and name HA ))
( segid " " and resid 121 and name HD# )
3.800 1.800 1.800 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.90626E-03 ppm1 4.406 ppm2 7.109 CV 1
ASSI ! 2905!
(( segid " " and resid 121 and name HB1 ))
( segid " " and resid 121 and name HD# )
3.000 1.100 1.100 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.23700E-02 ppm1 3.076 ppm2 7.110 CV 1
ASSI ! 2906!
(( segid " " and resid 121 and name HB2 ))
( segid " " and resid 121 and name HD# )
3.000 1.100 1.100 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.24627E-02 ppm1 2.884 ppm2 7.107 CV 1
! Ambiguous Restraints CHIPS(31-121):
! -----------------------------------
ASSI ! 35!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 87 and name HG1# ) or ( segid " " and resid 37 and name HG2# ))
2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.28559E-02 ppm1 9.066 ppm2 1.152 CV 1
ASSI ! 36!
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 41 and name HD2# ) or ( segid " " and resid 80 and name HD2# ) or ( segid " " and resid 45 and name HD1# ))
5.000 3.100 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.39908E-03 ppm1 9.065 ppm2 0.928 CV 1
ASSI ! 86!
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HD2# ) or ( segid " " and resid 45 and name HD1# ))
5.600 4.000 0.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.23509E-03 ppm1 7.340 ppm2 0.937 CV 1
ASSI ! 149!
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 40 and name HB1 ) or ( segid " " and resid 44 and name HB1 ))
4.300 2.300 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.54967E-03 ppm1 7.258 ppm2 1.840 CV 1
ASSI ! 259!
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HD2# ) or ( segid " " and resid 45 and name HD1# ) or ( segid " " and resid 76 and name HD2# ) or ( segid " " and resid 76 and name HD1# ))
4.700 2.700 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.50091E-03 ppm1 7.427 ppm2 0.920 CV 1
ASSI ! 597!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 76 and name HD1# ) or ( segid " " and resid 45 and name HD1# ) or ( segid " " and resid 76 and name HD2# ) or ( segid " " and resid 73 and name HG2# ))
4.900 3.100 1.100 peak 597 spectrum 1 weight 0.10000E+01 volume 0.67547E-03 ppm1 9.188 ppm2 0.920 CV 1
ASSI ! 598!
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HG1 ) or ( segid " " and resid 64 and name HG12 ) or ( segid " " and resid 65 and name HD1# ))
4.500 2.500 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.38095E-03 ppm1 9.183 ppm2 1.131 CV 1
ASSI ! 753!
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HG1 ) or ( segid " " and resid 66 and name HG2# ) or ( segid " " and resid 90 and name HD2# ))
4.200 2.200 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 6.999 ppm2 1.047 CV 1
ASSI ! 807!
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ) or ( segid " " and resid 73 and name HA ))
2.100 0.500 0.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.98704E-02 ppm1 9.022 ppm2 4.878 CV 1
ASSI ! 852!
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ) or ( segid " " and resid 76 and name HA ))
2.100 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.50390E-02 ppm1 8.523 ppm2 4.528 CV 1
ASSI ! 1145!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA1 ) or ( segid " " and resid 92 and name HA ) or ( segid " " and resid 66 and name HB ))
2.300 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.56678E-02 ppm1 8.772 ppm2 4.155 CV 1
ASSI ! 1146!
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 113 and name HG2 ) or ( segid " " and resid 93 and name HB2 ))
5.200 3.400 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.62343E-03 ppm1 8.772 ppm2 1.909 CV 1
ASSI ! 6!
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD1# ) or ( segid " " and resid 41 and name HD1# ))
4.400 2.400 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.95403E-03 ppm1 3.833 ppm2 0.826 CV 1
ASSI ! 14!
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 45 and name HD1# ) or ( segid " " and resid 76 and name HD2# ))
5.500 3.800 0.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.40047E-03 ppm1 2.712 ppm2 0.937 CV 1
ASSI ! 15!
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 41 and name HD2#) or ( segid " " and resid 45 and name HD1# ))
4.100 2.100 1.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.65076E-03 ppm1 2.445 ppm2 0.934 CV 1
ASSI ! 16!
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HB1 ) or ( segid " " and resid 45 and name HB1 ))
3.500 1.600 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19681E-02 ppm1 3.872 ppm2 1.936 CV 1
! Removed: too much overlap or sum intensity at the proton frequency of 0.925 ppm
!
! ASSI ! 17!
! (( segid " " and resid 44 and name HD1 ))
! (( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1# ) or ( segid " " and resid 41 and name HD2# ))
! 4.600 2.600 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.55378E-03 ppm1 3.146 ppm2 0.925 CV 1
! ASSI ! 18!
! (( segid " " and resid 44 and name HD2 ))
! (( segid " " and resid 45 and name HD2#) or ( segid " " and resid 45 and name HD1# ) or ( segid " " and resid 41 and name HD2# ))
! 3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.92230E-03 ppm1 3.012 ppm2 0.922 CV 1
ASSI ! 19!
( segid " " and resid 45 and name HD1#)
(( segid " " and resid 45 and name HB1 ) or ( segid " " and resid 64 and name HB ))
2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.47521E-02 ppm1 0.946 ppm2 1.909 CV 1
ASSI ! 25!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 76 and name HD1#) or ( segid " " and resid 110 and name HG12) or ( segid " " and resid 76 and name HD2#) or ( segid " " and resid 45 and name HD2#))
3.900 1.900 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 -1.147 ppm2 0.925 CV 1
ASSI ! 26!
( segid " " and resid 49 and name HD2#)
(( segid " " and resid 59 and name HZ ) or ( segid " " and resid 98 and name HE# ) or ( segid " " and resid 98 and name HZ ) or ( segid " " and resid 48 and name HD# ))
2.900 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 -1.144 ppm2 6.999 CV 1
ASSI ! 30!
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 58 and name HG2 ) or ( segid " " and resid 76 and name HD1# ))
4.400 2.400 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.65649E-03 ppm1 4.617 ppm2 0.936 CV 1
! Removed: incorrect assignment of an ambiguous restraint.
! Most likely intermolecular NOE HD# Lys61 to HD1# Leu22, but the chemical
! shift of HD1# Leu22 is 0.603 ppm falls just outside the target chemical shift of 0.634 ppm.
!
! ASSI ! 31!
! (( segid " " and resid 61 and name HD1 ))
! (( segid " " and resid 96 and name HG2#) or ( segid " " and resid 64 and name HD1#))
! 4.700 2.700 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.49664E-03 ppm1 0.985 ppm2 0.634 CV 1
! ASSI ! 32!
! (( segid " " and resid 61 and name HD2 ))
! (( segid " " and resid 96 and name HG2#) or ( segid " " and resid 64 and name HD1#))
! 4.500 2.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.53327E-03 ppm1 0.889 ppm2 0.634 CV 1
ASSI ! 33!
(( segid " " and resid 61 and name HG1 ))
(( segid " " and resid 60 and name HN ) or ( segid " " and resid 74 and name HN ))
5.300 3.500 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.25068E-03 ppm1 1.150 ppm2 9.221 CV 1
ASSI ! 34!
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 96 and name HG2#) or ( segid " " and resid 64 and name HD1#))
4.400 2.400 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.61857E-03 ppm1 5.629 ppm2 0.634 CV 1
ASSI ! 36!
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 45 and name HD1#) or ( segid " " and resid 65 and name HD2#) or ( segid " " and resid 95 and name HB1 ))
4.700 2.800 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.59316E-03 ppm1 4.306 ppm2 0.945 CV 1
ASSI ! 37!
( segid " " and resid 64 and name HD1#)
(( segid " " and resid 62 and name HG1 ) or ( segid " " and resid 42 and name HB2 ) or ( segid " " and resid 93 and name HG1 ) or ( segid " " and resid 93 and name HG2 ))
3.700 1.700 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.96333E-03 ppm1 0.622 ppm2 2.436 CV 1
ASSI ! 39!
( segid " " and resid 64 and name HG2#)
(( segid " " and resid 93 and name HA ) or ( segid " " and resid 38 and name HA ))
4.100 2.100 1.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.98343E-03 ppm1 0.682 ppm2 3.836 CV 1
ASSI ! 42!
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 117 and name HD22) or ( segid " " and resid 94 and name HD# ) or ( segid " " and resid 97 and name HD# ))
3.900 1.900 1.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.88068E-03 ppm1 5.542 ppm2 6.861 CV 1
ASSI ! 43!
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 72 and name HD# ) or ( segid " " and resid 70 and name HN ))
4.800 2.800 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.29239E-03 ppm1 5.539 ppm2 7.002 CV 1
ASSI ! 44!
( segid " " and resid 65 and name HD1#)
(( segid " " and resid 97 and name HD# ) or or ( segid " " and resid 94 and name HD# ) or ( segid " " and resid 117 and name HD22))
2.900 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.40346E-02 ppm1 1.138 ppm2 6.873 CV 1
ASSI ! 51!
(( segid " " and resid 85 and name HB2 ) or ( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 83 and name HB2 ) or ( segid " " and resid 72 and name HB2 ))
3.200 3.200 2.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.56155E-03 ppm1 1.853 ppm2 2.678 CV 1
ASSI ! 53!
( segid " " and resid 89 and name HD1#)
(( segid " " and resid 92 and name HA ) or ( segid " " and resid 66 and name HB ) or ( segid " " and resid 91 and name HA1 ) or ( segid " " and resid 90 and name HA ))
3.900 1.900 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.79488E-03 ppm1 0.640 ppm2 4.154 CV 1
ASSI ! 54!
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 67 and name HN ) or ( segid " " and resid 68 and name HN ))
3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.63336E-03 ppm1 4.160 ppm2 8.585 CV 1
ASSI ! 56!
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 66 and name HB ) or ( segid " " and resid 92 and name HA ))
3.300 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14752E-02 ppm1 3.831 ppm2 4.163 CV 1
ASSI ! 57!
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 65 and name HG ) or ( segid " " and resid 93 and name HE# ))
4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.41739E-03 ppm1 5.148 ppm2 1.879 CV 1
ASSI ! 58!
(( segid " " and resid 96 and name HB ))
(( segid " " and resid 45 and name HD1#) or ( segid " " and resid 45 and name HD2#) or ( segid " " and resid 110 and name HG12))
3.500 1.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 3.668 ppm2 0.919 CV 1
ASSI ! 60!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 59 and name HD# ) or ( segid " " and resid 58 and name HE21))
5.300 3.600 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.26190E-03 ppm1 1.887 ppm2 7.161 CV 1
ASSI ! 61!
(( segid " " and resid 100 and name HB1 ))
(( segid " " and resid 58 and name HG1 ) or ( segid " " and resid 103 and name HB2 ) or ( segid " " and resid 103 and name HG2 ))
3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13752E-02 ppm1 1.884 ppm2 2.307 CV 1
ASSI ! 62!
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 103 and name HB2 ) or ( segid " " and resid 103 and name HG2 ) or ( segid " " and resid 58 and name HG1 ))
3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14106E-02 ppm1 1.492 ppm2 2.313 CV 1
ASSI ! 69!
( segid " " and resid 110 and name HD1#)
(( segid " " and resid 93 and name HE# ) or ( segid " " and resid 44 and name HB1 ))
2.700 2.700 3.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10899E-02 ppm1 1.021 ppm2 1.864 CV 1
ASSI ! 73!
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 68 and name HN ) or ( segid " " and resid 67 and name HN ))
3.900 1.900 1.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.86747E-03 ppm1 4.921 ppm2 8.567 CV 1
! Unambiguous Aria1.2 Restraints C5aR(P7-28S) peptide:
! ----------------------------------------------------
ASSI ! 8!
(( segid " " and resid 22 and name HB2 ) or ( segid " " and resid 22 and name HG ))
(( segid " " and resid 21 and name HA ))
5.200 3.400 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.37042E-03 ppm1 1.518 ppm2 5.390 CV 1
ASSI ! 10!
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HG2#)
3.100 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.27921E-02 ppm1 4.341 ppm2 1.178 CV 1
ASSI ! 12!
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.200 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.51310E-02 ppm1 4.340 ppm2 8.163 CV 1
ASSI ! 13!
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 7 and name HA ))
2.100 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.69552E-02 ppm1 4.180 ppm2 4.341 CV 1
ASSI ! 15!
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 8 and name HN ))
3.700 1.700 1.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.91463E-03 ppm1 4.177 ppm2 8.163 CV 1
ASSI ! 17!
( segid " " and resid 7 and name HG2#)
(( segid " " and resid 7 and name HB ))
2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.49949E-02 ppm1 1.177 ppm2 4.159 CV 1
ASSI ! 19!
( segid " " and resid 7 and name HG2#)
(( segid " " and resid 8 and name HN ))
5.000 3.100 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.56760E-03 ppm1 1.177 ppm2 8.163 CV 1
ASSI ! 21!
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HG2#)
2.300 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.80362E-02 ppm1 4.575 ppm2 1.210 CV 1
ASSI ! 22!
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 4.575 ppm2 8.162 CV 1
ASSI ! 23!
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
4.400 2.400 1.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 4.575 ppm2 1.882 CV 1
ASSI ! 24!
(( segid " " and resid 8 and name HA ))
( segid " " and resid 11 and name HD# )
5.900 4.400 0.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.33484E-03 ppm1 4.576 ppm2 6.618 CV 1
ASSI ! 25!
(( segid " " and resid 8 and name HA ))
( segid " " and resid 11 and name HE# )
5.300 3.600 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.45643E-03 ppm1 4.576 ppm2 6.900 CV 1
ASSI ! 26!
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 8 and name HA ))
3.500 1.600 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.74408E-03 ppm1 4.096 ppm2 4.583 CV 1
ASSI ! 27!
(( segid " " and resid 8 and name HB ))
( segid " " and resid 8 and name HG2#)
2.000 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.15056E-01 ppm1 4.095 ppm2 1.209 CV 1
ASSI ! 28!
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18984E-02 ppm1 4.093 ppm2 8.162 CV 1
ASSI ! 29!
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 9 and name HB1 ))
4.300 2.400 1.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 4.102 ppm2 2.033 CV 1
ASSI ! 30!
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
5.900 4.300 0.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.45414E-03 ppm1 4.098 ppm2 1.889 CV 1
ASSI ! 33!
( segid " " and resid 8 and name HG2#)
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15263E-02 ppm1 1.211 ppm2 8.162 CV 1
ASSI ! 36!
( segid " " and resid 8 and name HG2#)
(( segid " " and resid 10 and name HN ))
4.300 2.300 1.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.99624E-03 ppm1 1.218 ppm2 7.815 CV 1
ASSI ! 38!
( segid " " and resid 8 and name HG2#)
( segid " " and resid 11 and name HE# )
2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 1.224 ppm2 6.900 CV 1
ASSI ! 42!
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.22230E-02 ppm1 4.156 ppm2 1.884 CV 1
ASSI ! 43!
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HB1 ))
4.700 2.800 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 4.159 ppm2 2.779 CV 1
ASSI ! 44!
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HB2 ))
4.700 2.800 1.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.82577E-03 ppm1 4.157 ppm2 2.510 CV 1
ASSI ! 45!
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.000 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11632E-01 ppm1 4.156 ppm2 7.817 CV 1
ASSI ! 46!
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HA ))
2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.15692E-02 ppm1 2.028 ppm2 4.161 CV 1
ASSI ! 47!
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HN ))
2.900 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 2.029 ppm2 7.817 CV 1
ASSI ! 48!
(( segid " " and resid 9 and name HB1 ))
( segid " " and resid 11 and name HD# )
4.800 2.800 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.46081E-03 ppm1 2.027 ppm2 6.617 CV 1
ASSI ! 50!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 8 and name HA ))
3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.45385E-03 ppm1 3.810 ppm2 4.573 CV 1
ASSI ! 51!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 8 and name HB ))
5.200 3.400 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.28433E-03 ppm1 3.801 ppm2 4.087 CV 1
ASSI ! 52!
(( segid " " and resid 9 and name HD1 ))
( segid " " and resid 8 and name HG2#)
3.300 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.29383E-02 ppm1 3.804 ppm2 1.210 CV 1
ASSI ! 53!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 8 and name HN ))
4.800 2.900 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.26517E-03 ppm1 3.802 ppm2 8.162 CV 1
ASSI ! 54!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HB1 ))
4.500 2.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.78052E-03 ppm1 3.805 ppm2 2.027 CV 1
ASSI ! 55!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
2.300 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.48218E-02 ppm1 3.804 ppm2 1.884 CV 1
ASSI ! 56!
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 10 and name HN ))
6.000 4.900 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.24118E-03 ppm1 3.802 ppm2 7.826 CV 1
ASSI ! 57!
(( segid " " and resid 9 and name HD1 ))
( segid " " and resid 11 and name HE# )
5.100 3.200 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.45902E-03 ppm1 3.802 ppm2 6.903 CV 1
ASSI ! 58!
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 8 and name HG2#)
2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.39494E-02 ppm1 3.595 ppm2 1.210 CV 1
ASSI ! 59!
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HN ))
5.400 3.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22920E-03 ppm1 3.594 ppm2 8.162 CV 1
ASSI ! 60!
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HB1 ))
4.600 2.600 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.62504E-03 ppm1 3.594 ppm2 2.028 CV 1
ASSI ! 61!
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
2.300 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.43584E-02 ppm1 3.592 ppm2 1.883 CV 1
ASSI ! 62!
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.700 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21141E-03 ppm1 3.591 ppm2 7.817 CV 1
ASSI ! 63!
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 11 and name HD# )
4.900 3.000 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.28986E-03 ppm1 3.590 ppm2 6.620 CV 1
ASSI ! 64!
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 11 and name HE# )
3.300 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.84703E-03 ppm1 3.590 ppm2 6.899 CV 1
ASSI ! 67!
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
5.000 3.100 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.92037E-03 ppm1 1.884 ppm2 7.816 CV 1
ASSI ! 68!
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
( segid " " and resid 11 and name HD# )
4.900 3.000 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.68389E-03 ppm1 1.881 ppm2 6.615 CV 1
ASSI ! 69!
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
( segid " " and resid 11 and name HE# )
3.700 1.700 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.23647E-02 ppm1 1.882 ppm2 6.899 CV 1
ASSI ! 70!
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.29879E-02 ppm1 4.379 ppm2 2.774 CV 1
ASSI ! 71!
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.800 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.28113E-02 ppm1 4.379 ppm2 2.513 CV 1
ASSI ! 72!
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.600 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.30152E-02 ppm1 4.378 ppm2 7.818 CV 1
ASSI ! 73!
(( segid " " and resid 10 and name HA ))
( segid " " and resid 11 and name HD# )
3.700 1.700 1.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 4.379 ppm2 6.617 CV 1
ASSI ! 74!
(( segid " " and resid 10 and name HA ))
( segid " " and resid 11 and name HE# )
4.600 2.700 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.46543E-03 ppm1 4.376 ppm2 6.904 CV 1
ASSI ! 75!
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name H ))
1.900 0.400 0.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.89966E-02 ppm1 4.379 ppm2 8.140 CV 1
ASSI ! 76!
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
3.800 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.18528E-02 ppm1 4.380 ppm2 8.269 CV 1
ASSI ! 79!
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HB2 ))
1.900 0.400 0.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.62669E-02 ppm1 2.779 ppm2 2.512 CV 1
ASSI ! 80!
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HN ))
2.900 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.33569E-02 ppm1 2.774 ppm2 7.818 CV 1
ASSI ! 84!
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.29709E-02 ppm1 2.510 ppm2 7.815 CV 1
ASSI ! 85!
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name H ))
4.300 2.300 1.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11019E-02 ppm1 2.509 ppm2 8.140 CV 1
ASSI ! 86!
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 12 and name HN ))
6.000 5.100 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.32891E-03 ppm1 2.509 ppm2 8.268 CV 1
ASSI ! 94!
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 12 and name HN ))
6.000 5.300 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.23712E-03 ppm1 7.817 ppm2 8.266 CV 1
ASSI ! 95!
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB1 ))
2.900 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 4.463 ppm2 3.454 CV 1
ASSI ! 96!
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.800 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.21377E-02 ppm1 4.468 ppm2 2.763 CV 1
ASSI ! 97!
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HD# )
3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.80904E-02 ppm1 4.471 ppm2 6.618 CV 1
ASSI ! 98!
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HE# )
4.500 2.600 1.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.23839E-02 ppm1 4.469 ppm2 6.900 CV 1
ASSI ! 99!
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name H ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.19679E-02 ppm1 4.467 ppm2 8.141 CV 1
ASSI ! 100!
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.400 1.400 1.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.13780E-02 ppm1 4.468 ppm2 8.268 CV 1
ASSI ! 101!
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HB2 ))
1.900 0.500 0.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.37992E-02 ppm1 3.450 ppm2 2.760 CV 1
ASSI ! 102!
(( segid " " and resid 11 and name HB1 ))
( segid " " and resid 11 and name HD# )
2.600 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.31870E-02 ppm1 3.448 ppm2 6.618 CV 1
ASSI ! 103!
(( segid " " and resid 11 and name HB1 ))
( segid " " and resid 11 and name HE# )
4.600 2.600 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 3.449 ppm2 6.903 CV 1
ASSI ! 104!
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name H ))
3.200 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 3.453 ppm2 8.142 CV 1
ASSI ! 105!
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HN ))
4.600 2.600 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.56576E-03 ppm1 3.453 ppm2 8.272 CV 1
ASSI ! 107!
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HD# )
2.500 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.34124E-02 ppm1 2.760 ppm2 6.617 CV 1
ASSI ! 108!
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HE# )
4.600 2.600 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11531E-02 ppm1 2.760 ppm2 6.901 CV 1
ASSI ! 109!
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
4.200 2.200 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.76550E-03 ppm1 2.769 ppm2 8.269 CV 1
ASSI ! 110!
( segid " " and resid 11 and name HD# )
( segid " " and resid 8 and name HG2#)
4.600 2.700 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.56944E-03 ppm1 6.617 ppm2 1.215 CV 1
ASSI ! 116!
( segid " " and resid 11 and name HD# )
( segid " " and resid 11 and name HE# )
1.600 0.300 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.48666E-01 ppm1 6.619 ppm2 6.899 CV 1
ASSI ! 118!
( segid " " and resid 11 and name HD# )
(( segid " " and resid 12 and name HN ))
4.000 2.000 2.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.73133E-03 ppm1 6.617 ppm2 8.270 CV 1
ASSI ! 120!
( segid " " and resid 11 and name HE# )
(( segid " " and resid 9 and name HB1 ))
2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.44897E-03 ppm1 6.897 ppm2 2.023 CV 1
ASSI ! 121!
( segid " " and resid 11 and name HE# )
(( segid " " and resid 9 and name HG2 ) or ( segid " " and resid 9 and name HG1 ) or ( segid " " and resid 9 and name HB2 ))
3.500 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 6.899 ppm2 1.883 CV 1
ASSI ! 126!
( segid " " and resid 11 and name HE# )
(( segid " " and resid 12 and name HN ))
3.400 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.18006E-03 ppm1 6.893 ppm2 8.268 CV 1
ASSI ! 129!
(( segid " " and resid 11 and name H ))
(( segid " " and resid 10 and name HN ))
3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.93683E-03 ppm1 8.141 ppm2 7.818 CV 1
ASSI ! 131!
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HB2 ))
3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 8.142 ppm2 2.769 CV 1
ASSI ! 132!
(( segid " " and resid 11 and name H ))
( segid " " and resid 11 and name HD# )
2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.20366E-02 ppm1 8.142 ppm2 6.620 CV 1
ASSI ! 133!
(( segid " " and resid 11 and name H ))
( segid " " and resid 11 and name HE# )
3.900 1.900 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.65644E-03 ppm1 8.144 ppm2 6.906 CV 1
ASSI ! 134!
(( segid " " and resid 11 and name H ))
(( segid " " and resid 12 and name HN ))
1.800 0.400 0.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.35829E-02 ppm1 8.140 ppm2 8.269 CV 1
ASSI ! 135!
(( segid " " and resid 12 and name HA1 ))
( segid " " and resid 11 and name HD# )
4.100 2.100 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.43864E-03 ppm1 4.159 ppm2 6.617 CV 1
ASSI ! 136!
(( segid " " and resid 12 and name HA1 ))
( segid " " and resid 11 and name HE# )
2.900 2.900 3.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.40076E-03 ppm1 4.159 ppm2 6.899 CV 1
ASSI ! 137!
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 11 and name H ))
4.800 2.900 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.71772E-03 ppm1 4.155 ppm2 8.139 CV 1
ASSI ! 138!
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.15414E-02 ppm1 4.156 ppm2 8.271 CV 1
ASSI ! 139!
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18934E-02 ppm1 4.156 ppm2 7.288 CV 1
ASSI ! 140!
(( segid " " and resid 12 and name HA2 ))
( segid " " and resid 11 and name HD# )
4.600 2.600 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.27676E-03 ppm1 4.087 ppm2 6.617 CV 1
ASSI ! 141!
(( segid " " and resid 12 and name HA2 ))
( segid " " and resid 11 and name HE# )
2.900 2.900 3.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.43480E-03 ppm1 4.094 ppm2 6.901 CV 1
ASSI ! 142!
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 11 and name H ))
5.000 3.100 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.62205E-03 ppm1 4.091 ppm2 8.139 CV 1
ASSI ! 143!
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.19232E-02 ppm1 4.090 ppm2 8.271 CV 1
ASSI ! 144!
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.22358E-02 ppm1 4.090 ppm2 7.290 CV 1
ASSI ! 149!
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13754E-02 ppm1 8.268 ppm2 7.289 CV 1
ASSI ! 150!
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB1 ))
3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.14539E-02 ppm1 4.683 ppm2 3.278 CV 1
ASSI ! 151!
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HD2 ))
3.100 3.100 2.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.55637E-02 ppm1 4.678 ppm2 7.264 CV 1
ASSI ! 152!
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.300 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.90652E-02 ppm1 4.681 ppm2 7.288 CV 1
ASSI ! 153!
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HB2 ))
4.500 2.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.11950E-02 ppm1 4.682 ppm2 3.126 CV 1
ASSI ! 154!
(( segid " " and resid 13 and name HA ))
( segid " " and resid 14 and name HD# )
2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.39508E-02 ppm1 4.682 ppm2 7.830 CV 1
ASSI ! 155!
(( segid " " and resid 13 and name HA ))
( segid " " and resid 14 and name HE# )
4.000 2.000 2.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 4.682 ppm2 7.464 CV 1
ASSI ! 156!
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name H ))
3.000 1.100 1.100 peak 156 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 4.682 ppm2 8.967 CV 1
ASSI ! 157!
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HD2 ))
3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.21886E-02 ppm1 3.268 ppm2 7.264 CV 1
ASSI ! 158!
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HE1 ))
6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.17266E-03 ppm1 3.269 ppm2 8.408 CV 1
ASSI ! 159!
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.84313E-03 ppm1 3.268 ppm2 7.289 CV 1
ASSI ! 160!
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 14 and name H ))
3.400 1.400 1.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 3.268 ppm2 8.961 CV 1
ASSI ! 161!
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.27148E-02 ppm1 3.210 ppm2 7.264 CV 1
ASSI ! 162!
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
5.800 4.200 0.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.24610E-03 ppm1 3.206 ppm2 8.411 CV 1
ASSI ! 163!
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.78329E-03 ppm1 3.212 ppm2 7.290 CV 1
ASSI ! 164!
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 14 and name HD# )
4.200 2.200 1.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12508E-02 ppm1 3.209 ppm2 7.828 CV 1
ASSI ! 165!
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 14 and name HE# )
5.300 3.600 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.33969E-03 ppm1 3.210 ppm2 7.464 CV 1
ASSI ! 166!
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name H ))
2.600 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 3.213 ppm2 8.966 CV 1
ASSI ! 169!
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HE1 ))
4.400 2.400 1.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.98813E-03 ppm1 7.263 ppm2 8.411 CV 1
ASSI ! 179!
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name H ))
4.400 2.400 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.53252E-03 ppm1 7.288 ppm2 8.965 CV 1
ASSI ! 180!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 4.646 ppm2 3.207 CV 1
ASSI ! 181!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HD2 ))
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.33027E-02 ppm1 4.649 ppm2 7.267 CV 1
ASSI ! 182!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HN ))
2.100 2.100 3.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.31104E-02 ppm1 4.650 ppm2 7.289 CV 1
ASSI ! 183!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.50555E-02 ppm1 4.647 ppm2 3.278 CV 1
ASSI ! 184!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
3.300 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 4.647 ppm2 3.131 CV 1
ASSI ! 185!
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD# )
3.400 1.400 1.400 peak 185 spectrum 1 weight 0.10000E+01 volume 0.35701E-02 ppm1 4.647 ppm2 7.828 CV 1
ASSI ! 186!
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HE# )
5.200 3.400 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.84748E-03 ppm1 4.650 ppm2 7.464 CV 1
ASSI ! 187!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name H ))
2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.57710E-02 ppm1 4.646 ppm2 8.967 CV 1
ASSI ! 188!
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.500 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.78012E-03 ppm1 4.646 ppm2 8.008 CV 1
ASSI ! 189!
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 14 and name HD# )
2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.63721E-02 ppm1 3.288 ppm2 7.826 CV 1
ASSI ! 190!
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 14 and name HE# )
4.400 2.400 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 3.288 ppm2 7.463 CV 1
ASSI ! 192!
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 15 and name HN ))
3.800 1.800 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.11670E-02 ppm1 3.294 ppm2 8.004 CV 1
ASSI ! 193!
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
5.100 3.200 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.38190E-03 ppm1 3.127 ppm2 7.266 CV 1
ASSI ! 194!
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD# )
2.400 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.60338E-02 ppm1 3.123 ppm2 7.827 CV 1
ASSI ! 196!
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name H ))
3.300 1.300 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.19919E-02 ppm1 3.121 ppm2 8.965 CV 1
ASSI ! 197!
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.600 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.71785E-03 ppm1 3.123 ppm2 8.008 CV 1
ASSI ! 199!
( segid " " and resid 14 and name HD# )
(( segid " " and resid 13 and name HD2 ))
4.700 2.700 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.81093E-03 ppm1 7.827 ppm2 7.266 CV 1
ASSI ! 200!
( segid " " and resid 14 and name HD# )
(( segid " " and resid 13 and name HN ))
2.500 2.500 3.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10297E-02 ppm1 7.827 ppm2 7.291 CV 1
ASSI ! 203!
( segid " " and resid 14 and name HD# )
( segid " " and resid 14 and name HE# )
1.800 0.400 0.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.28225E-01 ppm1 7.829 ppm2 7.465 CV 1
ASSI ! 205!
( segid " " and resid 14 and name HD# )
(( segid " " and resid 15 and name HN ))
3.600 1.600 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.18816E-02 ppm1 7.827 ppm2 8.007 CV 1
ASSI ! 207!
( segid " " and resid 14 and name HE# )
(( segid " " and resid 14 and name HB2 ))
4.600 2.600 1.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 7.463 ppm2 3.126 CV 1
ASSI ! 209!
( segid " " and resid 14 and name HE# )
(( segid " " and resid 14 and name H ))
3.900 1.900 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 7.465 ppm2 8.965 CV 1
ASSI ! 210!
( segid " " and resid 14 and name HE# )
(( segid " " and resid 15 and name HN ))
2.800 2.800 3.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.48575E-03 ppm1 7.463 ppm2 8.010 CV 1
ASSI ! 212!
(( segid " " and resid 14 and name H ))
(( segid " " and resid 13 and name HD2 ))
3.200 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 8.965 ppm2 7.264 CV 1
ASSI ! 214!
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HB1 ))
3.000 1.100 1.100 peak 214 spectrum 1 weight 0.10000E+01 volume 0.29186E-02 ppm1 8.966 ppm2 3.282 CV 1
ASSI ! 216!
(( segid " " and resid 14 and name H ))
( segid " " and resid 14 and name HD# )
2.200 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.64505E-02 ppm1 8.966 ppm2 7.827 CV 1
ASSI ! 218!
(( segid " " and resid 14 and name H ))
(( segid " " and resid 15 and name HN ))
3.400 1.400 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.53500E-03 ppm1 8.966 ppm2 8.008 CV 1
ASSI ! 219!
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.37245E-02 ppm1 4.682 ppm2 8.009 CV 1
ASSI ! 220!
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
3.400 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.50806E-03 ppm1 4.683 ppm2 8.572 CV 1
ASSI ! 221!
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 13 and name HD2 ))
2.900 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.33991E-02 ppm1 2.881 ppm2 7.263 CV 1
ASSI ! 222!
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HB2 ))
2.200 0.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.20796E-02 ppm1 2.882 ppm2 2.025 CV 1
ASSI ! 223!
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HN ))
3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.91410E-03 ppm1 2.883 ppm2 8.007 CV 1
ASSI ! 224!
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 16 and name HN ))
3.400 1.400 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.77684E-03 ppm1 2.884 ppm2 8.572 CV 1
ASSI ! 225!
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
2.600 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.40679E-02 ppm1 2.023 ppm2 7.263 CV 1
ASSI ! 227!
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.500 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.77839E-03 ppm1 2.024 ppm2 8.004 CV 1
ASSI ! 228!
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.52617E-03 ppm1 2.022 ppm2 8.574 CV 1
ASSI ! 229!
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 17 and name HN ))
5.200 3.400 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.27484E-03 ppm1 2.023 ppm2 9.222 CV 1
ASSI ! 230!
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 18 and name HN ))
5.300 3.500 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.25863E-03 ppm1 2.021 ppm2 8.469 CV 1
ASSI ! 231!
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HD2 ))
3.300 1.300 1.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.90151E-03 ppm1 8.008 ppm2 7.266 CV 1
ASSI ! 240!
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 17 and name HN ))
5.700 4.000 0.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.21004E-03 ppm1 8.005 ppm2 9.220 CV 1
ASSI ! 241!
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HB1 ))
2.700 2.700 3.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.66132E-02 ppm1 4.796 ppm2 2.884 CV 1
ASSI ! 242!
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HB2 ))
3.300 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.44798E-02 ppm1 4.798 ppm2 2.026 CV 1
ASSI ! 243!
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.49776E-02 ppm1 4.800 ppm2 8.574 CV 1
ASSI ! 244!
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.18205E-02 ppm1 4.800 ppm2 9.223 CV 1
ASSI ! 245!
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15971E-02 ppm1 2.841 ppm2 8.573 CV 1
ASSI ! 246!
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HN ))
4.200 2.200 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.67997E-03 ppm1 2.844 ppm2 9.223 CV 1
ASSI ! 247!
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.300 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.15224E-02 ppm1 2.742 ppm2 8.570 CV 1
ASSI ! 248!
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
4.300 2.300 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55285E-03 ppm1 2.740 ppm2 9.225 CV 1
ASSI ! 249!
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HD2 ))
3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.81662E-03 ppm1 8.572 ppm2 7.263 CV 1
ASSI ! 251!
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
3.600 1.700 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.72903E-03 ppm1 8.571 ppm2 8.008 CV 1
ASSI ! 255!
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
5.400 3.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.27988E-03 ppm1 8.571 ppm2 1.699 CV 1
ASSI ! 257!
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.000 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.32302E-02 ppm1 8.571 ppm2 9.223 CV 1
ASSI ! 258!
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 18 and name HN ))
3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 8.572 ppm2 8.469 CV 1
ASSI ! 259!
(( segid " " and resid 16 and name HN ))
( segid " " and resid 19 and name HG2#)
4.400 2.400 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.61560E-03 ppm1 8.576 ppm2 0.910 CV 1
ASSI ! 260!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HN ))
4.700 2.800 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.80384E-03 ppm1 4.509 ppm2 8.573 CV 1
ASSI ! 261!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ) or ( segid " " and resid 17 and name HB2 ))
2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.86581E-02 ppm1 4.510 ppm2 1.908 CV 1
ASSI ! 262!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
3.500 1.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 4.509 ppm2 1.697 CV 1
ASSI ! 263!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG1 ))
3.400 1.500 1.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 4.510 ppm2 1.530 CV 1
ASSI ! 264!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.19714E-02 ppm1 4.510 ppm2 1.417 CV 1
ASSI ! 265!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.31718E-02 ppm1 4.509 ppm2 9.223 CV 1
ASSI ! 266!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 4.510 ppm2 8.467 CV 1
ASSI ! 267!
(( segid " " and resid 17 and name HA ))
( segid " " and resid 19 and name HG2#)
3.300 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.19998E-02 ppm1 4.511 ppm2 0.912 CV 1
ASSI ! 268!
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 19 and name HN ))
4.000 2.000 2.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.53698E-03 ppm1 4.512 ppm2 7.276 CV 1
ASSI ! 269!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.907 ppm2 8.574 CV 1
ASSI ! 270!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE1 ) or ( segid " " and resid 17 and name HE2 ))
3.900 1.900 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11469E-02 ppm1 1.906 ppm2 3.028 CV 1
ASSI ! 273!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HN ))
2.600 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.43315E-02 ppm1 1.904 ppm2 9.220 CV 1
ASSI ! 274!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 18 and name HB1 ))
4.600 2.600 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.51235E-03 ppm1 1.901 ppm2 2.889 CV 1
ASSI ! 275!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
4.300 2.400 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53121E-03 ppm1 1.903 ppm2 2.469 CV 1
ASSI ! 276!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.44259E-02 ppm1 1.904 ppm2 8.468 CV 1
ASSI ! 277!
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 19 and name HN ))
4.300 2.300 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.56216E-03 ppm1 1.902 ppm2 7.275 CV 1
ASSI ! 279!
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB1 ) or ( segid " " and resid 17 and name HB2 ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36231E-02 ppm1 1.696 ppm2 1.907 CV 1
ASSI ! 280!
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HE1 ) or ( segid " " and resid 17 and name HE2 ))
2.200 0.600 0.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.95422E-02 ppm1 1.700 ppm2 3.028 CV 1
ASSI ! 281!
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG1 ))
2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.46177E-02 ppm1 1.696 ppm2 1.537 CV 1
ASSI ! 282!
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
2.400 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.44486E-02 ppm1 1.698 ppm2 1.412 CV 1
ASSI ! 283!
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.51171E-03 ppm1 1.696 ppm2 9.220 CV 1
ASSI ! 289!
(( segid " " and resid 17 and name HE1 ) or ( segid " " and resid 17 and name HE2 ))
(( segid " " and resid 17 and name HN ))
4.700 2.800 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.22758E-03 ppm1 3.026 ppm2 9.226 CV 1
ASSI ! 290!
(( segid " " and resid 17 and name HE1 ) or ( segid " " and resid 17 and name HE2 ))
(( segid " " and resid 18 and name HN ))
3.200 3.200 2.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.24465E-03 ppm1 3.026 ppm2 8.468 CV 1
ASSI ! 291!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 16 and name HN ))
4.700 2.800 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.43747E-03 ppm1 1.522 ppm2 8.572 CV 1
ASSI ! 292!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB2 ) or ( segid " " and resid 17 and name HB1 ))
2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.48453E-02 ppm1 1.525 ppm2 1.904 CV 1
ASSI ! 294!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HE2 ) or ( segid " " and resid 17 and name HE1 ))
3.100 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21401E-02 ppm1 1.523 ppm2 3.029 CV 1
ASSI ! 295!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HG2 ))
1.600 0.300 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.70849E-02 ppm1 1.522 ppm2 1.412 CV 1
ASSI ! 296!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11073E-02 ppm1 1.522 ppm2 9.221 CV 1
ASSI ! 297!
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 18 and name HN ))
3.800 1.800 1.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.97431E-03 ppm1 1.522 ppm2 8.469 CV 1
ASSI ! 298!
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44240E-03 ppm1 1.423 ppm2 8.570 CV 1
ASSI ! 299!
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB1 ) or ( segid " " and resid 17 and name HB2 ))
2.400 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.49749E-02 ppm1 1.421 ppm2 1.909 CV 1
ASSI ! 301!
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HE1 ) or ( segid " " and resid 17 and name HE2 ))
3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 1.420 ppm2 3.028 CV 1
ASSI ! 303!
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 303 spectrum 1 weight 0.10000E+01 volume 0.95390E-03 ppm1 1.422 ppm2 9.221 CV 1
ASSI ! 304!
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
4.200 2.200 1.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.67253E-03 ppm1 1.418 ppm2 8.468 CV 1
ASSI ! 315!
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.200 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.44710E-02 ppm1 9.220 ppm2 8.466 CV 1
ASSI ! 318!
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB1 ))
2.900 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.25876E-02 ppm1 4.682 ppm2 2.888 CV 1
ASSI ! 319!
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.24435E-02 ppm1 4.683 ppm2 2.473 CV 1
ASSI ! 320!
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.21965E-02 ppm1 4.682 ppm2 8.468 CV 1
ASSI ! 322!
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
2.100 0.500 0.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.36642E-02 ppm1 2.883 ppm2 2.469 CV 1
ASSI ! 323!
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.26731E-02 ppm1 2.886 ppm2 8.467 CV 1
ASSI ! 325!
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 17 and name HN ))
4.400 2.400 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.76835E-03 ppm1 2.470 ppm2 9.221 CV 1
ASSI ! 327!
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 2.468 ppm2 8.467 CV 1
ASSI ! 328!
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 2.467 ppm2 7.278 CV 1
ASSI ! 332!
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HD1 ) or ( segid " " and resid 17 and name HD2 ))
3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.24109E-03 ppm1 8.468 ppm2 1.697 CV 1
ASSI ! 339!
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 8.468 ppm2 7.274 CV 1
ASSI ! 340!
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG1 ))
3.600 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.13808E-02 ppm1 4.257 ppm2 6.396 CV 1
ASSI ! 341!
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HG2#)
3.000 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.41087E-02 ppm1 4.255 ppm2 0.907 CV 1
ASSI ! 342!
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.16171E-02 ppm1 4.253 ppm2 7.276 CV 1
ASSI ! 343!
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 18 and name HN ))
5.000 3.100 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.37008E-03 ppm1 3.873 ppm2 8.471 CV 1
ASSI ! 344!
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.19485E-02 ppm1 3.876 ppm2 4.252 CV 1
ASSI ! 345!
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HG1 ))
3.300 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.74933E-03 ppm1 3.877 ppm2 6.396 CV 1
ASSI ! 346!
(( segid " " and resid 19 and name HB ))
( segid " " and resid 19 and name HG2#)
2.400 0.700 0.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.62235E-02 ppm1 3.873 ppm2 0.910 CV 1
ASSI ! 347!
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.11770E-02 ppm1 3.875 ppm2 7.278 CV 1
ASSI ! 348!
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.25438E-02 ppm1 3.873 ppm2 7.851 CV 1
ASSI ! 352!
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HN ))
5.200 3.300 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.23643E-03 ppm1 6.401 ppm2 7.277 CV 1
! Unsurpressed 13C-bound proton signal for peak 354 in isotope filtered 2D-NOESY ??
! Only upper limit of 6.0 Angstrom set for the distance restraint between HB1 D16 and HG2# T19,
! to be sure of not creating incorrect structures. Restraint can be removed when necessary.
ASSI ! 354!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 16 and name HB1 ))
6.000 6.000 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 0.913 ppm2 2.855 CV 1
! Unsurpressed signal in filtered NOESY
ASSI ! 355!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 16 and name HB2 ))
6.000 6.000 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.79941E-03 ppm1 0.911 ppm2 2.740 CV 1
ASSI ! 357!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 17 and name HN ))
3.400 1.400 1.400 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13780E-02 ppm1 0.912 ppm2 9.224 CV 1
ASSI ! 358!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 18 and name HN ))
3.500 1.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.16118E-02 ppm1 0.909 ppm2 8.472 CV 1
ASSI ! 361!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 19 and name HG1 ))
3.500 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 0.913 ppm2 6.399 CV 1
ASSI ! 362!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.38038E-02 ppm1 0.908 ppm2 7.280 CV 1
ASSI ! 363!
( segid " " and resid 19 and name HG2#)
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17906E-02 ppm1 0.908 ppm2 7.854 CV 1
ASSI ! 365!
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HN ))
4.400 2.400 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.43173E-03 ppm1 7.273 ppm2 9.224 CV 1
ASSI ! 366!
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.400 1.400 peak 366 spectrum 1 weight 0.10000E+01 volume 0.21161E-02 ppm1 7.275 ppm2 2.890 CV 1
ASSI ! 372!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
2.900 1.100 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14202E-02 ppm1 4.253 ppm2 1.054 CV 1
ASSI ! 373!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.19497E-02 ppm1 4.253 ppm2 0.046 CV 1
ASSI ! 374!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
2.600 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.95708E-02 ppm1 4.255 ppm2 0.868 CV 1
ASSI ! 375!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HA ))
4.900 3.000 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.29858E-03 ppm1 4.254 ppm2 5.391 CV 1
ASSI ! 376!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HB1 ))
4.700 2.700 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.69566E-03 ppm1 4.255 ppm2 2.936 CV 1
ASSI ! 377!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HB2 ))
4.600 2.600 1.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.68320E-03 ppm1 4.253 ppm2 2.432 CV 1
ASSI ! 380!
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.55440E-02 ppm1 1.052 ppm2 0.865 CV 1
ASSI ! 381!
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HN ))
3.600 1.600 1.600 peak 381 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 1.053 ppm2 7.854 CV 1
ASSI ! 382!
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 21 and name HN ))
3.500 1.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.59135E-03 ppm1 1.056 ppm2 8.470 CV 1
ASSI ! 383!
(( segid " " and resid 20 and name HB1 ))
( segid " " and resid 22 and name HD1#)
3.500 1.500 1.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.51966E-03 ppm1 1.050 ppm2 0.604 CV 1
ASSI ! 385!
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
1.900 0.400 0.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.26937E-02 ppm1 0.044 ppm2 1.055 CV 1
ASSI ! 386!
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.54434E-02 ppm1 0.039 ppm2 0.865 CV 1
ASSI ! 387!
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.96631E-03 ppm1 0.041 ppm2 7.852 CV 1
ASSI ! 388!
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
4.000 2.000 2.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.80528E-03 ppm1 0.042 ppm2 8.473 CV 1
ASSI ! 389!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 19 and name HG1 ))
2.800 2.800 3.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.56712E-03 ppm1 0.866 ppm2 6.400 CV 1
! Removed restraint HN Thr19 to (HD1# or HD2#) Leu20, small peak mainly due to spin diffusion
! ASSI ! 390!
! (( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
! (( segid " " and resid 19 and name HN ))
! 2.800 2.800 3.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.52625E-03 ppm1 0.866 ppm2 7.280 CV 1
ASSI ! 395!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 0.866 ppm2 7.852 CV 1
ASSI ! 397!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 21 and name HB1 ))
5.200 3.400 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.46278E-03 ppm1 0.862 ppm2 2.945 CV 1
ASSI ! 398!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 21 and name HB2 ))
4.900 3.000 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.53946E-03 ppm1 0.867 ppm2 2.438 CV 1
ASSI ! 399!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.54100E-02 ppm1 0.866 ppm2 8.470 CV 1
ASSI ! 400!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 22 and name HB1 ))
5.700 4.000 0.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.42557E-03 ppm1 0.867 ppm2 1.621 CV 1
ASSI ! 401!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 22 and name HB2 ))
4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 0.867 ppm2 1.521 CV 1
ASSI ! 402!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
( segid " " and resid 22 and name HD1#)
2.600 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.78412E-02 ppm1 0.864 ppm2 0.602 CV 1
ASSI ! 403!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
( segid " " and resid 22 and name HD2#)
3.700 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 0.866 ppm2 0.187 CV 1
ASSI ! 404!
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
(( segid " " and resid 22 and name HN ))
5.000 3.100 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.39110E-03 ppm1 0.865 ppm2 9.082 CV 1
ASSI ! 405!
(( segid " " and resid 20 and name HG ))
(( segid " " and resid 20 and name HB2 ))
3.300 1.300 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.80803E-03 ppm1 1.192 ppm2 0.039 CV 1
ASSI ! 406!
(( segid " " and resid 20 and name HG ))
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
2.200 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.71609E-02 ppm1 1.195 ppm2 0.863 CV 1
ASSI ! 407!
(( segid " " and resid 20 and name HG ))
(( segid " " and resid 20 and name HN ))
4.100 2.100 1.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.42685E-03 ppm1 1.193 ppm2 7.847 CV 1
ASSI ! 408!
(( segid " " and resid 20 and name HG ))
(( segid " " and resid 21 and name HN ))
3.900 1.900 1.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 1.192 ppm2 8.468 CV 1
ASSI ! 409!
(( segid " " and resid 20 and name HG ))
( segid " " and resid 22 and name HD1#)
3.400 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 1.196 ppm2 0.604 CV 1
ASSI ! 411!
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG1 ))
3.600 1.600 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.85212E-03 ppm1 7.855 ppm2 6.399 CV 1
ASSI ! 413!
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.600 1.700 1.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.84428E-03 ppm1 7.842 ppm2 7.274 CV 1
ASSI ! 414!
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
3.400 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.80565E-03 ppm1 7.856 ppm2 4.255 CV 1
ASSI ! 418!
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
4.500 2.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.48327E-03 ppm1 7.849 ppm2 8.468 CV 1
ASSI ! 420!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HD1# ) or ( segid " " and resid 20 and name HD2# ))
4.700 2.800 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.68488E-03 ppm1 5.391 ppm2 0.868 CV 1
ASSI ! 421!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HN ))
3.000 3.000 3.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.34764E-03 ppm1 5.393 ppm2 7.850 CV 1
ASSI ! 422!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.900 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.15542E-02 ppm1 5.391 ppm2 2.941 CV 1
ASSI ! 423!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.100 1.200 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 5.391 ppm2 2.430 CV 1
ASSI ! 424!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.14974E-02 ppm1 5.390 ppm2 8.468 CV 1
ASSI ! 425!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB1 ))
5.900 4.300 0.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.50816E-03 ppm1 5.389 ppm2 1.617 CV 1
ASSI ! 426!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB2 ))
4.200 2.200 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 5.387 ppm2 1.523 CV 1
ASSI ! 427!
(( segid " " and resid 21 and name HA ))
( segid " " and resid 22 and name HD1#)
4.200 2.200 1.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.63192E-03 ppm1 5.388 ppm2 0.601 CV 1
ASSI ! 428!
(( segid " " and resid 21 and name HA ))
( segid " " and resid 22 and name HD2#)
5.800 4.200 0.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.66834E-03 ppm1 5.388 ppm2 0.185 CV 1
ASSI ! 429!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.30851E-02 ppm1 5.389 ppm2 9.077 CV 1
ASSI ! 430!
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 23 and name HN ))
3.900 1.900 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.65908E-03 ppm1 5.392 ppm2 8.767 CV 1
ASSI ! 434!
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.23731E-02 ppm1 2.936 ppm2 8.472 CV 1
ASSI ! 435!
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 22 and name HN ))
4.800 2.900 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.51291E-03 ppm1 2.938 ppm2 9.076 CV 1
ASSI ! 436!
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 23 and name HD21))
4.700 2.800 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.35871E-03 ppm1 2.940 ppm2 7.836 CV 1
ASSI ! 437!
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 23 and name HN ))
5.400 3.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.18703E-03 ppm1 2.935 ppm2 8.769 CV 1
ASSI ! 440!
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB1 ))
1.900 0.400 0.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.63918E-02 ppm1 2.429 ppm2 2.938 CV 1
ASSI ! 441!
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.26859E-02 ppm1 2.429 ppm2 8.472 CV 1
ASSI ! 442!
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
4.700 2.800 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.62771E-03 ppm1 2.427 ppm2 9.076 CV 1
ASSI ! 443!
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 23 and name HD21))
4.900 3.000 1.100 peak 443 spectrum 1 weight 0.10000E+01 volume 0.39542E-03 ppm1 2.432 ppm2 7.840 CV 1
ASSI ! 444!
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 23 and name HN ))
5.400 3.700 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.22998E-03 ppm1 2.424 ppm2 8.764 CV 1
ASSI ! 445!
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.13795E-02 ppm1 8.469 ppm2 4.258 CV 1
ASSI ! 453!
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HD1#)
4.000 2.000 2.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.38438E-03 ppm1 8.467 ppm2 0.607 CV 1
ASSI ! 454!
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
4.300 2.300 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.45302E-03 ppm1 8.470 ppm2 9.081 CV 1
ASSI ! 455!
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
2.800 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.19895E-02 ppm1 4.296 ppm2 1.621 CV 1
ASSI ! 456!
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.41476E-02 ppm1 4.296 ppm2 1.519 CV 1
ASSI ! 457!
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HD1#)
2.400 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.95796E-02 ppm1 4.296 ppm2 0.604 CV 1
ASSI ! 458!
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HD2#)
4.100 2.100 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.24611E-02 ppm1 4.297 ppm2 0.184 CV 1
ASSI ! 459!
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 4.294 ppm2 9.077 CV 1
ASSI ! 460!
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 4.298 ppm2 8.766 CV 1
ASSI ! 464!
(( segid " " and resid 22 and name HB1 ))
( segid " " and resid 22 and name HD2#)
2.600 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.36082E-02 ppm1 1.632 ppm2 0.182 CV 1
ASSI ! 465!
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 1.621 ppm2 9.078 CV 1
ASSI ! 466!
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 23 and name HD21))
5.700 4.000 0.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.22660E-03 ppm1 1.621 ppm2 7.839 CV 1
ASSI ! 467!
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 23 and name HN ))
4.400 2.400 1.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.40124E-03 ppm1 1.618 ppm2 8.770 CV 1
ASSI ! 468!
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
4.800 2.800 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.30362E-03 ppm1 1.522 ppm2 1.053 CV 1
ASSI ! 471!
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB1 ))
1.600 0.300 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.76932E-02 ppm1 1.520 ppm2 1.624 CV 1
ASSI ! 472!
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.28572E-02 ppm1 1.520 ppm2 9.077 CV 1
ASSI ! 473!
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HD21))
4.800 2.900 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.37870E-03 ppm1 1.521 ppm2 7.839 CV 1
ASSI ! 474!
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.500 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.97049E-03 ppm1 1.522 ppm2 8.768 CV 1
ASSI ! 476!
( segid " " and resid 22 and name HD1#)
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.39310E-03 ppm1 0.605 ppm2 7.846 CV 1
ASSI ! 480!
( segid " " and resid 22 and name HD1#)
(( segid " " and resid 22 and name HB1 ))
3.500 1.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.32048E-02 ppm1 0.604 ppm2 1.620 CV 1
ASSI ! 481!
( segid " " and resid 22 and name HD1#)
(( segid " " and resid 22 and name HB2 ))
2.200 0.600 0.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.85228E-02 ppm1 0.604 ppm2 1.521 CV 1
ASSI ! 482!
( segid " " and resid 22 and name HD1#)
( segid " " and resid 22 and name HD2#)
2.200 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15015E-01 ppm1 0.604 ppm2 0.185 CV 1
ASSI ! 483!
( segid " " and resid 22 and name HD1#)
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.16161E-02 ppm1 0.604 ppm2 9.077 CV 1
ASSI ! 484!
( segid " " and resid 22 and name HD1#)
(( segid " " and resid 23 and name HN ))
2.700 2.700 3.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.60356E-03 ppm1 0.601 ppm2 8.770 CV 1
ASSI ! 486!
( segid " " and resid 22 and name HD2#)
(( segid " " and resid 20 and name HN ))
3.100 3.100 2.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.27943E-03 ppm1 0.183 ppm2 7.844 CV 1
ASSI ! 488!
( segid " " and resid 22 and name HD2#)
(( segid " " and resid 21 and name HN ))
3.300 3.300 2.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.20560E-03 ppm1 0.184 ppm2 8.472 CV 1
ASSI ! 491!
( segid " " and resid 22 and name HD2#)
(( segid " " and resid 22 and name HB2 ))
2.400 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.88921E-02 ppm1 0.185 ppm2 1.521 CV 1
ASSI ! 494!
( segid " " and resid 22 and name HD2#)
(( segid " " and resid 23 and name HN ))
2.800 2.800 3.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.50995E-03 ppm1 0.185 ppm2 8.768 CV 1
ASSI ! 495!
(( segid " " and resid 22 and name HG ))
( segid " " and resid 22 and name HD1#)
2.100 0.600 0.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.85509E-02 ppm1 1.527 ppm2 0.604 CV 1
ASSI ! 496!
(( segid " " and resid 22 and name HG ))
( segid " " and resid 22 and name HD2#)
2.100 0.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.99760E-02 ppm1 1.530 ppm2 0.185 CV 1
ASSI ! 505!
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HD2#)
4.500 2.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.13840E-02 ppm1 9.078 ppm2 0.186 CV 1
ASSI ! 506!
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB1 ))
6.000 4.600 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.24204E-03 ppm1 9.078 ppm2 2.849 CV 1
ASSI ! 507!
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB2 ))
5.400 3.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.34335E-03 ppm1 9.075 ppm2 2.783 CV 1
ASSI ! 508!
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HD21))
4.500 2.500 1.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18669E-03 ppm1 9.076 ppm2 7.844 CV 1
ASSI ! 509!
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 9.078 ppm2 8.768 CV 1
ASSI ! 510!
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HB2 ))
4.500 2.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.40593E-03 ppm1 4.723 ppm2 1.521 CV 1
ASSI ! 511!
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.300 0.700 0.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.64270E-02 ppm1 4.726 ppm2 2.847 CV 1
ASSI ! 512!
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.900 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.38536E-02 ppm1 4.726 ppm2 2.790 CV 1
ASSI ! 513!
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.29439E-02 ppm1 4.721 ppm2 8.767 CV 1
ASSI ! 514!
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.40543E-02 ppm1 4.723 ppm2 7.835 CV 1
ASSI ! 515!
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HD22))
4.200 2.200 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 2.837 ppm2 6.930 CV 1
ASSI ! 516!
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19223E-02 ppm1 2.839 ppm2 8.768 CV 1
ASSI ! 517!
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 2.841 ppm2 7.838 CV 1
ASSI ! 519!
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD21))
2.600 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 2.789 ppm2 7.839 CV 1
ASSI ! 520!
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD22))
3.800 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 2.789 ppm2 6.929 CV 1
ASSI ! 521!
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.24243E-02 ppm1 2.790 ppm2 8.767 CV 1
ASSI ! 522!
(( segid " " and resid 23 and name HD21))
( segid " " and resid 22 and name HD1#)
3.200 3.200 2.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.24268E-03 ppm1 7.841 ppm2 0.603 CV 1
ASSI ! 524!
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HB1 ))
3.200 1.200 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.19155E-02 ppm1 7.840 ppm2 2.845 CV 1
ASSI ! 525!
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HD22))
1.400 0.200 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.29410E-01 ppm1 7.844 ppm2 6.931 CV 1
ASSI ! 529!
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HN ))
4.900 3.000 1.100 peak 529 spectrum 1 weight 0.10000E+01 volume 0.33582E-03 ppm1 6.931 ppm2 8.766 CV 1
ASSI ! 538!
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD21))
2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.13620E-02 ppm1 8.764 ppm2 7.841 CV 1
ASSI ! 540!
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.99176E-03 ppm1 8.764 ppm2 7.831 CV 1
ASSI ! 541!
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2#)
2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.79946E-02 ppm1 4.529 ppm2 1.229 CV 1
ASSI ! 542!
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.24775E-02 ppm1 4.530 ppm2 7.833 CV 1
ASSI ! 543!
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HG1 ))
5.000 3.100 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.84521E-03 ppm1 4.530 ppm2 2.035 CV 1
ASSI ! 544!
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 23 and name HN ))
5.700 4.000 0.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.23729E-03 ppm1 4.120 ppm2 8.767 CV 1
ASSI ! 545!
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.16032E-02 ppm1 4.119 ppm2 4.524 CV 1
ASSI ! 546!
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2#)
2.000 0.500 0.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18783E-01 ppm1 4.121 ppm2 1.230 CV 1
ASSI ! 547!
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.28343E-02 ppm1 4.122 ppm2 7.831 CV 1
ASSI ! 548!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 22 and name HN ))
3.300 3.300 2.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18361E-03 ppm1 1.231 ppm2 9.078 CV 1
ASSI ! 549!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 23 and name HB1 ))
3.200 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.26051E-03 ppm1 1.232 ppm2 2.845 CV 1
ASSI ! 550!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.45614E-03 ppm1 1.230 ppm2 2.780 CV 1
ASSI ! 551!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 23 and name HD21))
2.300 2.300 3.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 1.232 ppm2 7.840 CV 1
ASSI ! 552!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 23 and name HN ))
4.800 2.900 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.25495E-03 ppm1 1.234 ppm2 8.769 CV 1
ASSI ! 555!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.21589E-02 ppm1 1.232 ppm2 7.824 CV 1
ASSI ! 557!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 25 and name HG1 ))
3.400 1.400 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.85911E-02 ppm1 1.238 ppm2 2.032 CV 1
ASSI ! 558!
( segid " " and resid 24 and name HG2#)
(( segid " " and resid 25 and name HB2 ))
4.200 2.200 1.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.35356E-02 ppm1 1.231 ppm2 1.882 CV 1
ASSI ! 562!
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB1 ))
2.200 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.43824E-02 ppm1 4.440 ppm2 2.280 CV 1
ASSI ! 563!
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
2.700 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.35706E-02 ppm1 4.440 ppm2 1.899 CV 1
ASSI ! 564!
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG1 ))
4.400 2.400 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.96687E-03 ppm1 4.439 ppm2 2.038 CV 1
ASSI ! 565!
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
4.100 2.100 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 4.440 ppm2 1.976 CV 1
ASSI ! 566!
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
1.800 0.400 0.400 peak 566 spectrum 1 weight 0.10000E+01 volume 0.16868E-01 ppm1 4.440 ppm2 8.211 CV 1
ASSI ! 568!
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HB2 ))
1.600 0.300 0.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.86210E-02 ppm1 2.278 ppm2 1.904 CV 1
ASSI ! 570!
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HG1 ))
2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.21159E-02 ppm1 2.273 ppm2 2.037 CV 1
ASSI ! 571!
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 26 and name HN ))
4.300 2.300 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.12245E-02 ppm1 2.281 ppm2 8.212 CV 1
ASSI ! 574!
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD1 ))
4.900 3.000 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.55626E-03 ppm1 1.901 ppm2 3.844 CV 1
ASSI ! 575!
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HB ))
2.700 2.700 3.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.43149E-02 ppm1 1.893 ppm2 2.041 CV 1
ASSI ! 576!
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.700 1.700 1.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 1.898 ppm2 8.211 CV 1
ASSI ! 577!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 24 and name HA ))
3.200 1.300 1.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.81515E-03 ppm1 3.842 ppm2 4.529 CV 1
ASSI ! 578!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 24 and name HB ))
3.300 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.26350E-02 ppm1 3.846 ppm2 4.115 CV 1
ASSI ! 579!
(( segid " " and resid 25 and name HD1 ))
( segid " " and resid 24 and name HG2#)
3.700 1.700 1.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16339E-02 ppm1 3.841 ppm2 1.228 CV 1
ASSI ! 580!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 24 and name HN ))
4.200 2.200 1.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.58894E-03 ppm1 3.845 ppm2 7.834 CV 1
ASSI ! 581!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HB1 ))
3.500 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.86138E-03 ppm1 3.842 ppm2 2.280 CV 1
ASSI ! 583!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HG1 ))
2.400 0.700 0.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.27012E-02 ppm1 3.842 ppm2 2.035 CV 1
ASSI ! 584!
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HG2 ))
2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.37437E-02 ppm1 3.844 ppm2 1.969 CV 1
ASSI ! 585!
(( segid " " and resid 25 and name HD2 ))
( segid " " and resid 24 and name HG2#)
2.900 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.34396E-02 ppm1 3.670 ppm2 1.230 CV 1
ASSI ! 586!
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 24 and name HN ))
4.500 2.600 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.30594E-03 ppm1 3.672 ppm2 7.834 CV 1
ASSI ! 587!
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG1 ))
2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.37184E-02 ppm1 3.672 ppm2 2.034 CV 1
ASSI ! 591!
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB1 ))
3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 1.977 ppm2 2.284 CV 1
ASSI ! 593!
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HB ))
2.000 2.000 4.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.23648E-01 ppm1 1.977 ppm2 2.041 CV 1
ASSI ! 595!
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HG1# ) or ( segid " " and resid 26 and name HG2# ))
2.800 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.30088E-02 ppm1 4.101 ppm2 0.903 CV 1
ASSI ! 596!
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.36530E-02 ppm1 4.101 ppm2 8.212 CV 1
ASSI ! 597!
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.100 0.500 0.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.70489E-02 ppm1 4.102 ppm2 8.352 CV 1
ASSI ! 598!
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 28 and name HN ))
4.900 3.000 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.40028E-03 ppm1 4.103 ppm2 7.779 CV 1
ASSI ! 599!
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HA ))
3.100 1.200 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.12855E-02 ppm1 2.038 ppm2 4.106 CV 1
ASSI ! 600!
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HG2# ) or ( segid " " and resid 26 and name HG1# ))
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.57256E-02 ppm1 2.038 ppm2 0.891 CV 1
ASSI ! 601!
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HN ))
3.000 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.22490E-02 ppm1 2.038 ppm2 8.210 CV 1
ASSI ! 602!
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 27 and name HN ))
4.600 2.600 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.67295E-03 ppm1 2.039 ppm2 8.347 CV 1
ASSI ! 605!
(( segid " " and resid 26 and name HG1# ) or ( segid " " and resid 26 and name HG2# ))
(( segid " " and resid 26 and name HN ))
2.900 1.100 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.46956E-02 ppm1 0.904 ppm2 8.212 CV 1
ASSI ! 606!
(( segid " " and resid 26 and name HG2# ) or ( segid " " and resid 26 and name HG1# ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 0.901 ppm2 8.347 CV 1
ASSI ! 610!
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HG1 ))
2.300 2.300 3.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 8.208 ppm2 2.039 CV 1
ASSI ! 614!
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
4.000 2.000 2.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 8.211 ppm2 8.347 CV 1
ASSI ! 615!
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.700 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.44950E-02 ppm1 4.597 ppm2 2.585 CV 1
ASSI ! 616!
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
3.000 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15833E-02 ppm1 4.597 ppm2 8.346 CV 1
ASSI ! 617!
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.39393E-02 ppm1 4.597 ppm2 7.777 CV 1
ASSI ! 618!
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HN ))
3.500 1.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10583E-02 ppm1 2.665 ppm2 8.348 CV 1
ASSI ! 619!
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 28 and name HN ))
4.400 2.400 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.38254E-03 ppm1 2.662 ppm2 7.779 CV 1
ASSI ! 620!
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.200 1.300 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 2.591 ppm2 8.347 CV 1
ASSI ! 625!
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.600 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.44985E-02 ppm1 4.148 ppm2 7.778 CV 1
ASSI ! 626!
(( segid " " and resid 28 and name HB2 ) or ( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HG1 ) or ( segid " " and resid 28 and name HG2 ))
2.700 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.26159E-02 ppm1 1.804 ppm2 1.356 CV 1
ASSI ! 627!
(( segid " " and resid 28 and name HB2 ) or ( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HN ))
3.900 1.900 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.45118E-03 ppm1 1.802 ppm2 7.776 CV 1
ASSI ! 628!
(( segid " " and resid 28 and name HD1 ) or ( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HA ))
3.600 1.600 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.20120E-02 ppm1 1.684 ppm2 4.152 CV 1
ASSI ! 629!
(( segid " " and resid 28 and name HD1 ) or ( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HN ))
4.400 2.400 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.88187E-03 ppm1 1.682 ppm2 7.776 CV 1
ASSI ! 632!
(( segid " " and resid 28 and name HG2 ) or ( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 28 and name HN ))
4.300 2.300 1.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.45486E-03 ppm1 1.360 ppm2 7.776 CV 1
ASSI ! 633!
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
3.300 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 7.778 ppm2 8.349 CV 1
!
! Unambiguous Aria1.2 Restraints C5aR(P7-28S) peptide:
! -----------------------------------
ASSI ! 3!
(( segid " " and resid 11 and name HB2 ) or ( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 11 and name H ))
3.500 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.23395E-02 ppm1 2.764 ppm2 8.140 CV 1
ASSI ! 4!
(( segid " " and resid 15 and name HB1 ) or ( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.97004E-03 ppm1 2.884 ppm2 9.223 CV 1
ASSI ! 5!
(( segid " " and resid 15 and name HA ) or ( segid " " and resid 18 and name HA ))
(( segid " " and resid 17 and name HN ))
4.600 2.600 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.56603E-03 ppm1 4.682 ppm2 9.222 CV 1
ASSI ! 6!
(( segid " " and resid 13 and name HA ) or ( segid " " and resid 15 and name HA ) or ( segid " " and resid 18 and name HA ))
(( segid " " and resid 13 and name HN ) or ( segid " " and resid 13 and name HD2 ))
2.300 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11055E-01 ppm1 4.676 ppm2 7.276 CV 1
ASSI ! 7!
(( segid " " and resid 19 and name HA ) or ( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.600 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.36477E-02 ppm1 4.251 ppm2 7.850 CV 1
ASSI ! 9!
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ) or ( segid " " and resid 18 and name HN ))
2.300 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.67183E-02 ppm1 4.256 ppm2 8.469 CV 1
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