NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17773 |
2cxj   |
6484 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 900}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "BBBB" and resid 8 and name HG2 ))
3.000 3.000 3.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.21897E-02 ppm1 6.601 ppm2 2.239 CV 1
ASSI { 85}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.400 2.400 3.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10775E-01 ppm1 0.983 ppm2 1.286 CV 1
ASSI { 176}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 51 and name HG2 ))
4.200 2.200 1.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.81945E-03 ppm1 1.194 ppm2 1.357 CV 1
ASSI { 266}
(( segid "AAAA" and resid 43 and name HG1 ))
( segid "AAAA" and resid 38 and name HD% )
3.400 3.400 2.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 1.100 ppm2 7.020 CV 1
ASSI { 608}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HG ))
2.500 2.500 3.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.86321E-02 ppm1 1.369 ppm2 0.988 CV 1
ASSI { 864}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 41 and name HG ))
3.100 3.100 2.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.24635E-02 ppm1 2.530 ppm2 0.994 CV 1
ASSI { 900}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "BBBB" and resid 8 and name HG2 ))
3.000 3.000 3.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.21897E-02 ppm1 6.601 ppm2 2.239 CV 1
ASSI { 85}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.400 2.400 3.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10775E-01 ppm1 0.983 ppm2 1.286 CV 1
ASSI { 176}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 51 and name HG2 ))
4.200 2.200 1.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.81945E-03 ppm1 1.194 ppm2 1.357 CV 1
ASSI { 266}
(( segid "AAAA" and resid 43 and name HG1 ))
( segid "AAAA" and resid 38 and name HD% )
3.400 3.400 2.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 1.100 ppm2 7.020 CV 1
ASSI { 608}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HG ))
2.500 2.500 3.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.86321E-02 ppm1 1.369 ppm2 0.988 CV 1
ASSI { 864}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 41 and name HG ))
3.100 3.100 2.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.24635E-02 ppm1 2.530 ppm2 0.994 CV 1
!run17noe table
ASSI { 261}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 25 and name HA2 ))
2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.42546E-02 ppm1 7.462 ppm2 3.853 CV 1
OR { 261}
(( segid "BBBB" and resid 25 and name HN ))
(( segid "BBBB" and resid 25 and name HA2 ))
ASSI { 295}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 30 and name HA ))
3.400 1.400 1.400 peak 295 spectrum 1 weight 0.10000E+01 volume 0.87364E-03 ppm1 8.276 ppm2 4.372 CV 1
OR { 295}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 30 and name HA ))
ASSI { 299}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 73 and name HB2 ))
4.200 2.200 1.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.12985E-02 ppm1 8.290 ppm2 3.005 CV 1
OR { 299}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
ASSI { 301}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.37148E-02 ppm1 8.269 ppm2 1.719 CV 1
OR { 301}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
ASSI { 304}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 25 and name HA2 ))
2.400 2.400 3.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.86192E-02 ppm1 8.276 ppm2 3.825 CV 1
OR { 304}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 25 and name HA2 ))
OR { 304}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 304}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 304}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 308}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 32 and name HN ))
2.600 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.59132E-02 ppm1 8.276 ppm2 7.025 CV 1
OR { 308}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 32 and name HN ))
ASSI { 533}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 68 and name HA ))
3.600 3.600 2.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.045 ppm2 4.837 CV 1
OR { 533}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 68 and name HA ))
ASSI { 582}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
3.400 3.400 2.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14539E-02 ppm1 7.059 ppm2 3.142 CV 1
OR { 582}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
ASSI { 612}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HB ))
2.700 0.900 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.62840E-02 ppm1 7.921 ppm2 4.071 CV 1
OR { 612}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HB ))
ASSI { 623}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 44 and name HB2 ))
3.300 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.25191E-02 ppm1 7.921 ppm2 2.321 CV 1
OR { 623}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 623}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
ASSI { 624}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 44 and name HN ))
2.200 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.83610E-02 ppm1 7.927 ppm2 8.447 CV 1
OR { 624}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HN ))
ASSI { 628}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HA ))
2.300 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.57181E-02 ppm1 7.927 ppm2 3.798 CV 1
OR { 628}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HA ))
ASSI { 633}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.600 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.44250E-02 ppm1 7.927 ppm2 3.470 CV 1
OR { 633}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 657}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "AAAA" and resid 1 and name HB2 ))
3.000 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.42887E-02 ppm1 7.914 ppm2 1.993 CV 1
OR { 657}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "BBBB" and resid 1 and name HB2 ))
ASSI { 714}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
2.200 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.74636E-02 ppm1 7.797 ppm2 7.162 CV 1
OR { 714}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HN ))
ASSI { 718}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 63 and name HN ))
2.100 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.89644E-02 ppm1 7.797 ppm2 7.517 CV 1
OR { 718}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HN ))
ASSI { 719}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HB2 ))
2.100 0.500 0.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10564E-01 ppm1 7.797 ppm2 1.911 CV 1
OR { 719}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HB2 ))
ASSI { 723}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
2.800 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 7.797 ppm2 3.962 CV 1
OR { 723}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HB ))
ASSI { 725}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HD2 ))
3.000 1.200 1.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.50618E-02 ppm1 7.804 ppm2 1.665 CV 1
OR { 725}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HD2 ))
OR { 725}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 63 and name HB2 ))
OR { 725}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HB2 ))
ASSI { 728}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HA ))
3.000 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.15071E-02 ppm1 7.797 ppm2 4.181 CV 1
OR { 728}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HA ))
ASSI { 730}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.000 0.500 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.97527E-02 ppm1 7.797 ppm2 1.227 CV 1
OR { 730}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 742}
(( segid "AAAA" and resid 67 and name HE22))
( segid "AAAA" and resid 73 and name HE% )
3.600 3.600 2.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.15987E-02 ppm1 6.847 ppm2 7.107 CV 1
OR { 742}
(( segid "BBBB" and resid 67 and name HE22))
( segid "BBBB" and resid 73 and name HE% )
OR { 742}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 75 and name HN ))
ASSI { 764}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HG2 ))
3.400 1.500 1.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.28731E-02 ppm1 6.840 ppm2 2.294 CV 1
OR { 764}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 772}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
3.500 1.500 1.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.22484E-02 ppm1 8.679 ppm2 2.102 CV 1
OR { 772}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 786}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HA ))
4.200 2.200 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.11537E-02 ppm1 6.840 ppm2 3.962 CV 1
OR { 786}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 67 and name HA ))
OR { 786}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 788}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "AAAA" and resid 86 and name HA ))
3.200 1.200 1.200 peak 788 spectrum 1 weight 0.10000E+01 volume 0.18075E-02 ppm1 8.700 ppm2 4.099 CV 1
OR { 788}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 788}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 5 and name HA ))
ASSI { 793}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 6 and name HB2 ))
2.700 0.900 0.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.66495E-02 ppm1 8.693 ppm2 1.665 CV 1
OR { 793}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 6 and name HB2 ))
OR { 793}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 9 and name HB2 ))
ASSI { 794}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
2.800 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.70234E-02 ppm1 8.693 ppm2 1.391 CV 1
OR { 794}
(( segid "BBBB" and resid 7 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 800}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 6 and name HA ))
2.200 0.600 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.73574E-02 ppm1 8.686 ppm2 4.372 CV 1
OR { 800}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 817}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HB2 ))
3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.32209E-02 ppm1 8.303 ppm2 1.665 CV 1
OR { 817}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HB2 ))
ASSI { 822}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
3.200 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18070E-02 ppm1 8.303 ppm2 3.442 CV 1
OR { 822}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
OR { 822}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HA ))
ASSI { 826}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.88710E-02 ppm1 8.303 ppm2 7.298 CV 1
OR { 826}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
ASSI { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
2.800 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.32286E-02 ppm1 8.310 ppm2 4.263 CV 1
OR { 828}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 41 and name HA ))
ASSI { 830}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
2.500 0.800 0.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.76350E-02 ppm1 8.303 ppm2 2.294 CV 1
OR { 830}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
ASSI { 836}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.300 3.300 2.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.39599E-02 ppm1 8.303 ppm2 2.540 CV 1
OR { 836}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 841}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.24078E-02 ppm1 8.303 ppm2 1.446 CV 1
OR { 841}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
ASSI { 858}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 76 and name HA ))
2.700 2.700 3.300 peak 858 spectrum 1 weight 0.10000E+01 volume 0.93609E-02 ppm1 8.932 ppm2 4.071 CV 1
OR { 858}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 76 and name HA ))
ASSI { 871}
(( segid "BBBB" and resid 74 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
2.500 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.33277E-02 ppm1 8.932 ppm2 6.560 CV 1
OR { 871}
(( segid "AAAA" and resid 74 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 878}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 75 and name HN ))
2.400 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.39164E-02 ppm1 8.926 ppm2 7.080 CV 1
OR { 878}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 75 and name HN ))
ASSI { 882}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "AAAA" and resid 41 and name HB2 ))
3.800 1.800 1.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 6.601 ppm2 1.610 CV 1
OR { 882}
(( segid "BBBB" and resid 45 and name HE22))
(( segid "BBBB" and resid 41 and name HB2 ))
ASSI { 900}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "BBBB" and resid 8 and name HG2 ))
3.200 3.200 2.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.28096E-02 ppm1 6.601 ppm2 2.239 CV 1
ASSI { 913}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HA ))
2.700 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.33820E-02 ppm1 8.303 ppm2 4.646 CV 1
OR { 913}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HA ))
ASSI { 922}
(( segid "AAAA" and resid 45 and name HE21))
(( segid "BBBB" and resid 1 and name HB2 ))
3.400 3.400 2.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.18327E-02 ppm1 7.633 ppm2 1.993 CV 1
ASSI { 971}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
2.600 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.44065E-02 ppm1 7.777 ppm2 8.365 CV 1
OR { 971}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
ASSI { 977}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 69 and name HN ))
3.200 1.300 1.300 peak 977 spectrum 1 weight 0.10000E+01 volume 0.17925E-02 ppm1 7.763 ppm2 10.361 CV 1
OR { 977}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 69 and name HN ))
ASSI { 979}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 65 and name HB ))
3.200 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.27539E-02 ppm1 7.784 ppm2 2.212 CV 1
OR { 979}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 65 and name HB ))
ASSI { 988}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HA ))
2.400 0.700 0.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.85146E-02 ppm1 7.852 ppm2 4.810 CV 1
OR { 988}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HA ))
ASSI { 998}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
2.500 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.41727E-02 ppm1 7.852 ppm2 3.224 CV 1
OR { 998}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 1014}
(( segid "AAAA" and resid 5 and name HN ))
(( segid "BBBB" and resid 51 and name HG2 ))
2.700 0.900 0.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.43951E-02 ppm1 7.907 ppm2 1.337 CV 1
OR { 1014}
(( segid "BBBB" and resid 5 and name HN ))
(( segid "AAAA" and resid 51 and name HG2 ))
ASSI { 1031}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.900 2.900 3.100 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.14541E-02 ppm1 10.368 ppm2 3.060 CV 1
OR { 1031}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 1031}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 85 and name HE2 ))
OR { 1031}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 85 and name HE2 ))
ASSI { 1032}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
2.200 0.600 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10262E-01 ppm1 10.368 ppm2 8.365 CV 1
OR { 1032}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
ASSI { 1037}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 10.375 ppm2 3.962 CV 1
OR { 1037}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 69 and name HB2 ))
ASSI { 1039}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
2.300 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.54274E-02 ppm1 7.312 ppm2 6.998 CV 1
OR { 1039}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HN ))
ASSI { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
2.900 2.900 3.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.32799E-02 ppm1 10.368 ppm2 2.266 CV 1
OR { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
OR { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 1042}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 70 and name HN ))
2.300 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.82694E-02 ppm1 10.368 ppm2 7.572 CV 1
OR { 1042}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 70 and name HN ))
ASSI { 1043}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HA ))
2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.34337E-02 ppm1 10.368 ppm2 4.810 CV 1
OR { 1043}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 68 and name HA ))
OR { 1043}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 66 and name HA ))
ASSI { 1044}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 67 and name HN ))
3.000 1.100 1.100 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.23871E-02 ppm1 10.368 ppm2 7.763 CV 1
OR { 1044}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 67 and name HN ))
ASSI { 1047}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HA ))
3.000 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.24335E-02 ppm1 7.319 ppm2 4.126 CV 1
OR { 1047}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 1048}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
2.200 0.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.60164E-02 ppm1 7.312 ppm2 3.278 CV 1
OR { 1048}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
ASSI { 1050}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
2.900 2.900 3.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.39801E-02 ppm1 10.368 ppm2 3.661 CV 1
OR { 1050}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 1050}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
ASSI { 1055}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
2.400 0.700 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.73869E-02 ppm1 7.326 ppm2 3.825 CV 1
OR { 1055}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 1055}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 1055}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HA ))
ASSI { 1057}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
3.300 1.400 1.400 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.39650E-02 ppm1 7.326 ppm2 2.266 CV 1
OR { 1057}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 1057}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
OR { 1057}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1059}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
3.900 1.900 1.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12572E-02 ppm1 10.361 ppm2 1.501 CV 1
OR { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 1059}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 1066}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 84 and name HN ))
2.300 0.700 0.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.65586E-02 ppm1 7.333 ppm2 8.666 CV 1
OR { 1066}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 84 and name HN ))
ASSI { 1090}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.34128E-02 ppm1 7.339 ppm2 2.075 CV 1
OR { 1090}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HB2 ))
OR { 1090}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HB2 ))
ASSI { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
2.900 2.900 3.100 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.67599E-02 ppm1 7.346 ppm2 1.419 CV 1
OR { 1098}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 1098}
(( segid "AAAA" and resid 85 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
OR { 1098}
(( segid "BBBB" and resid 85 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
OR { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "BBBB" and resid 80 and name HB ))
ASSI { 1123}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.300 0.700 0.700 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.70845E-02 ppm1 8.768 ppm2 4.454 CV 1
OR { 1123}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
OR { 1123}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 36 and name HA ))
ASSI { 1128}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
2.400 2.400 3.600 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.10518E-01 ppm1 8.768 ppm2 1.993 CV 1
OR { 1128}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 35 and name HB ))
ASSI { 1130}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
3.100 3.100 2.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.51745E-02 ppm1 9.773 ppm2 8.529 CV 1
OR { 1130}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
ASSI { 1131}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 34 and name HB2 ))
2.500 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.60524E-02 ppm1 8.768 ppm2 3.442 CV 1
OR { 1131}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 34 and name HB2 ))
ASSI { 1144}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
2.800 2.800 3.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.65113E-02 ppm1 7.592 ppm2 1.501 CV 1
OR { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 1144}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
ASSI { 1167}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
3.100 1.200 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.26424E-02 ppm1 9.787 ppm2 7.435 CV 1
OR { 1167}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
ASSI { 1174}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 27 and name HG2 ))
2.700 2.700 3.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.19685E-02 ppm1 8.768 ppm2 2.212 CV 1
OR { 1174}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 1174}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 40 and name HB2 ))
OR { 1174}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 1183}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 27 and name HB2 ))
4.200 2.200 1.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.47400E-03 ppm1 9.780 ppm2 1.774 CV 1
OR { 1183}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 27 and name HB2 ))
ASSI { 1191}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 48 and name HA ))
2.500 0.800 0.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.63171E-02 ppm1 9.746 ppm2 4.482 CV 1
OR { 1191}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 48 and name HA ))
ASSI { 1193}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
3.300 3.300 2.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 9.794 ppm2 9.158 CV 1
OR { 1193}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
ASSI { 1199}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
2.500 0.800 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.64723E-02 ppm1 8.447 ppm2 4.263 CV 1
OR { 1199}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
ASSI { 1200}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "AAAA" and resid 5 and name HN ))
2.700 2.700 3.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.85070E-02 ppm1 9.746 ppm2 7.900 CV 1
OR { 1200}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "BBBB" and resid 5 and name HN ))
ASSI { 1204}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 50 and name HN ))
3.300 3.300 2.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.34433E-02 ppm1 9.746 ppm2 7.763 CV 1
OR { 1204}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 50 and name HN ))
ASSI { 1212}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 79 and name HN ))
2.400 0.700 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.41806E-02 ppm1 7.497 ppm2 6.888 CV 1
OR { 1212}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 79 and name HN ))
ASSI { 1219}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.800 1.000 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.25024E-02 ppm1 7.510 ppm2 3.224 CV 1
OR { 1219}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 1221}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
3.000 1.200 1.200 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.26375E-02 ppm1 7.490 ppm2 2.294 CV 1
OR { 1221}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 1269}
(( segid "AAAA" and resid 50 and name HN ))
(( segid "AAAA" and resid 51 and name HN ))
2.400 0.700 0.700 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.66811E-02 ppm1 7.777 ppm2 7.107 CV 1
OR { 1269}
(( segid "BBBB" and resid 50 and name HN ))
(( segid "BBBB" and resid 51 and name HN ))
ASSI { 1280}
(( segid "AAAA" and resid 50 and name HN ))
(( segid "AAAA" and resid 89 and name HD2 ))
2.900 2.900 3.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.41364E-02 ppm1 7.784 ppm2 1.555 CV 1
OR { 1280}
(( segid "BBBB" and resid 50 and name HN ))
(( segid "BBBB" and resid 89 and name HD2 ))
ASSI { 1295}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 23 and name HA ))
2.900 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.27321E-02 ppm1 7.421 ppm2 3.962 CV 1
OR { 1295}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 23 and name HA ))
ASSI { 1303}
(( segid "BBBB" and resid 50 and name HN ))
(( segid "BBBB" and resid 49 and name HA ))
4.000 2.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.37589E-02 ppm1 7.777 ppm2 4.208 CV 1
OR { 1303}
(( segid "AAAA" and resid 50 and name HN ))
(( segid "AAAA" and resid 49 and name HA ))
ASSI { 1306}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
2.700 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.68316E-02 ppm1 8.413 ppm2 3.060 CV 1
OR { 1306}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
ASSI { 1309}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 51 and name HN ))
2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.87276E-02 ppm1 8.399 ppm2 7.107 CV 1
OR { 1309}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 51 and name HN ))
OR { 1309}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 36 and name HN ))
OR { 1309}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 36 and name HN ))
OR { 1309}
(( segid "BBBB" and resid 39 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1315}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 52 and name HB2 ))
3.800 1.800 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.44121E-03 ppm1 8.399 ppm2 2.759 CV 1
OR { 1315}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 52 and name HB2 ))
ASSI { 1317}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.300 0.700 0.700 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.82574E-02 ppm1 8.399 ppm2 1.309 CV 1
OR { 1317}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 1322}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 51 and name HA ))
2.300 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.62076E-02 ppm1 8.392 ppm2 3.989 CV 1
OR { 1322}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 1322}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1322}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
ASSI { 1323}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 93 and name HB2 ))
2.500 0.800 0.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.44560E-02 ppm1 7.545 ppm2 1.665 CV 1
OR { 1323}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
ASSI { 1330}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 92 and name HN ))
2.100 0.500 0.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.10691E-01 ppm1 7.565 ppm2 8.064 CV 1
OR { 1330}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 92 and name HN ))
ASSI { 1331}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
3.200 1.300 1.300 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.39030E-02 ppm1 7.880 ppm2 2.130 CV 1
OR { 1331}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 1333}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 23 and name HN ))
2.900 1.100 1.100 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 8.488 ppm2 7.435 CV 1
OR { 1333}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 23 and name HN ))
OR { 1333}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
OR { 1333}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
ASSI { 1335}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 11 and name HN ))
2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.41317E-02 ppm1 7.880 ppm2 9.240 CV 1
OR { 1335}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 11 and name HN ))
ASSI { 1337}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
2.300 0.700 0.700 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.48875E-02 ppm1 7.880 ppm2 8.638 CV 1
OR { 1337}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 1339}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
2.500 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.63810E-02 ppm1 8.481 ppm2 3.689 CV 1
OR { 1339}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 24 and name HA ))
ASSI { 1341}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HN ))
2.200 0.600 0.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.10526E-01 ppm1 8.385 ppm2 7.763 CV 1
OR { 1341}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 67 and name HN ))
ASSI { 1351}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
2.200 0.600 0.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.52303E-02 ppm1 7.251 ppm2 1.966 CV 1
OR { 1351}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
ASSI { 1356}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 8.030 ppm2 3.552 CV 1
OR { 1356}
(( segid "AAAA" and resid 83 and name HN ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 1356}
(( segid "AAAA" and resid 83 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 1356}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 1358}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.32375E-02 ppm1 7.886 ppm2 3.689 CV 1
OR { 1358}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 1363}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
2.900 2.900 3.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.41291E-02 ppm1 7.880 ppm2 2.266 CV 1
OR { 1363}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 1363}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "AAAA" and resid 90 and name HG2 ))
ASSI { 1365}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
2.400 0.700 0.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.42238E-02 ppm1 7.244 ppm2 9.295 CV 1
OR { 1365}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 1366}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
3.000 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.16305E-02 ppm1 7.251 ppm2 3.743 CV 1
OR { 1366}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1370}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
2.400 0.700 0.700 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.44381E-02 ppm1 7.244 ppm2 1.555 CV 1
OR { 1370}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 1371}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
2.300 0.600 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.98516E-02 ppm1 7.251 ppm2 3.989 CV 1
OR { 1371}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 1373}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 79 and name HN ))
2.200 0.600 0.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.63090E-02 ppm1 7.251 ppm2 6.888 CV 1
OR { 1373}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 79 and name HN ))
ASSI { 1377}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 75 and name HA ))
2.800 1.000 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 7.244 ppm2 4.400 CV 1
OR { 1377}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 1381}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HB2 ))
2.800 1.000 1.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.41275E-02 ppm1 7.251 ppm2 3.032 CV 1
OR { 1381}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 1384}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 61 and name HN ))
2.300 0.700 0.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.68865E-02 ppm1 8.242 ppm2 7.162 CV 1
OR { 1384}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
ASSI { 1388}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HN ))
2.200 0.600 0.600 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.10644E-01 ppm1 7.565 ppm2 7.818 CV 1
OR { 1388}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HN ))
ASSI { 1399}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
2.400 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.70525E-02 ppm1 8.242 ppm2 3.306 CV 1
OR { 1399}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 1405}
(( segid "AAAA" and resid 78 and name HN ))
( segid "AAAA" and resid 76 and name HE% )
4.000 2.000 2.000 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.15566E-02 ppm1 7.230 ppm2 6.697 CV 1
OR { 1405}
(( segid "BBBB" and resid 78 and name HN ))
( segid "BBBB" and resid 76 and name HE% )
ASSI { 1409}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "AAAA" and resid 74 and name HA ))
3.400 1.400 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.80879E-03 ppm1 7.579 ppm2 4.044 CV 1
OR { 1409}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 74 and name HA ))
OR { 1409}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 95 and name HA ))
OR { 1409}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 95 and name HA ))
ASSI { 1411}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
3.500 3.500 2.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 7.572 ppm2 3.142 CV 1
OR { 1411}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
ASSI { 1418}
(( segid "BBBB" and resid 20 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
3.600 3.600 2.400 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.29669E-02 ppm1 7.018 ppm2 1.419 CV 1
OR { 1418}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 1418}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 1418}
(( segid "AAAA" and resid 20 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 1435}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
3.000 3.000 3.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.59393E-02 ppm1 7.230 ppm2 3.224 CV 1
OR { 1435}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 1445}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
2.500 0.800 0.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.45563E-02 ppm1 8.748 ppm2 3.278 CV 1
OR { 1445}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 1451}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.700 0.900 0.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.44140E-02 ppm1 9.226 ppm2 4.454 CV 1
OR { 1451}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 1454}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.300 0.700 0.700 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.53481E-02 ppm1 9.226 ppm2 8.529 CV 1
OR { 1454}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 1459}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 14 and name HN ))
2.300 0.700 0.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.73382E-02 ppm1 8.926 ppm2 8.365 CV 1
OR { 1459}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 14 and name HN ))
ASSI { 1462}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
2.700 2.700 3.300 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.48531E-02 ppm1 8.748 ppm2 3.060 CV 1
ASSI { 1466}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
2.300 0.600 0.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.62064E-02 ppm1 9.226 ppm2 8.420 CV 1
OR { 1466}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
ASSI { 1467}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
3.800 1.800 1.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 7.025 ppm2 3.798 CV 1
OR { 1467}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
ASSI { 1468}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 53 and name HA ))
2.400 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.63641E-02 ppm1 7.579 ppm2 3.825 CV 1
OR { 1468}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 1468}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 1468}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HA1 ))
ASSI { 1472}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.300 0.700 0.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.96984E-02 ppm1 8.926 ppm2 4.126 CV 1
OR { 1472}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
ASSI { 1480}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 16 and name HN ))
2.300 0.600 0.600 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.66535E-02 ppm1 8.926 ppm2 8.611 CV 1
OR { 1480}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 16 and name HN ))
ASSI { 1481}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HB ))
3.700 1.800 1.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 8.748 ppm2 4.290 CV 1
OR { 1481}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 1493}
(( segid "BBBB" and resid 38 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
2.700 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.46221E-02 ppm1 9.226 ppm2 6.998 CV 1
OR { 1493}
(( segid "AAAA" and resid 38 and name HN ))
( segid "AAAA" and resid 23 and name HE% )
OR { 1493}
(( segid "AAAA" and resid 38 and name HN ))
( segid "AAAA" and resid 38 and name HD% )
OR { 1493}
(( segid "BBBB" and resid 38 and name HN ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 1494}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
2.300 2.300 3.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.61793E-02 ppm1 7.586 ppm2 7.271 CV 1
OR { 1494}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
OR { 1494}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 1494}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 1500}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
2.500 0.800 0.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.66629E-02 ppm1 8.926 ppm2 1.173 CV 1
OR { 1500}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 1500}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 1500}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
ASSI { 1505}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.400 0.700 0.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.69149E-02 ppm1 8.748 ppm2 0.817 CV 1
OR { 1505}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 1506}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 34 and name HN ))
3.300 1.300 1.300 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.19154E-02 ppm1 9.226 ppm2 9.787 CV 1
OR { 1506}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 34 and name HN ))
ASSI { 1507}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
3.100 1.200 1.200 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.19531E-02 ppm1 8.734 ppm2 6.998 CV 1
OR { 1507}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 20 and name HN ))
ASSI { 1509}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HB2 ))
2.900 1.000 1.000 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.61518E-02 ppm1 9.233 ppm2 2.020 CV 1
OR { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HB2 ))
OR { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
OR { 1509}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HB ))
ASSI { 1510}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HN ))
2.200 0.600 0.600 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.85153E-02 ppm1 8.741 ppm2 7.298 CV 1
OR { 1510}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HN ))
ASSI { 1525}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
3.200 1.300 1.300 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 7.579 ppm2 2.868 CV 1
OR { 1525}
(( segid "AAAA" and resid 64 and name HN ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 1532}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HA ))
2.900 1.000 1.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.30041E-02 ppm1 7.784 ppm2 4.263 CV 1
OR { 1532}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 1540}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
2.200 0.600 0.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.58403E-02 ppm1 8.659 ppm2 2.048 CV 1
OR { 1540}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
ASSI { 1557}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
3.200 1.300 1.300 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.26820E-02 ppm1 8.666 ppm2 4.454 CV 1
OR { 1557}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 7 and name HA ))
ASSI { 1558}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
5.000 3.100 1.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.20700E-03 ppm1 8.666 ppm2 2.266 CV 1
OR { 1558}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1563}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 17 and name HN ))
2.300 2.300 3.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.40142E-02 ppm1 8.727 ppm2 8.228 CV 1
OR { 1563}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
ASSI { 1566}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 58 and name HG2 ))
2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.74356E-02 ppm1 7.784 ppm2 2.266 CV 1
OR { 1566}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 1571}
(( segid "AAAA" and resid 95 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
3.900 1.900 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 7.586 ppm2 6.560 CV 1
OR { 1571}
(( segid "BBBB" and resid 95 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
OR { 1571}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HZ3 ))
ASSI { 1574}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 58 and name HB2 ))
3.400 1.400 1.400 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.68807E-03 ppm1 7.784 ppm2 2.020 CV 1
OR { 1574}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 58 and name HB2 ))
ASSI { 1580}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HN ))
2.600 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.42807E-02 ppm1 7.784 ppm2 8.201 CV 1
OR { 1580}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HN ))
ASSI { 1581}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
2.200 0.600 0.600 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.65902E-02 ppm1 8.673 ppm2 7.873 CV 1
OR { 1581}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
ASSI { 1583}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 53 and name HB ))
2.400 0.700 0.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.78405E-02 ppm1 7.586 ppm2 2.048 CV 1
OR { 1583}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 53 and name HB ))
ASSI { 1585}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 9 and name HA ))
2.300 0.700 0.700 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.65392E-02 ppm1 8.673 ppm2 4.153 CV 1
OR { 1585}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 1585}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 1592}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "BBBB" and resid 45 and name HA ))
2.800 2.800 3.200 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.33282E-02 ppm1 9.657 ppm2 4.646 CV 1
OR { 1592}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 5 and name HB ))
ASSI { 1594}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HB2 ))
2.400 0.700 0.700 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.71346E-02 ppm1 7.791 ppm2 2.513 CV 1
OR { 1594}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 1596}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
2.400 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.48347E-02 ppm1 9.664 ppm2 8.638 CV 1
OR { 1596}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 1599}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
2.000 0.500 0.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.91254E-02 ppm1 9.664 ppm2 2.239 CV 1
OR { 1599}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1603}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
2.800 1.000 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.17030E-02 ppm1 9.664 ppm2 4.454 CV 1
OR { 1603}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 7 and name HA ))
ASSI { 1605}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 10 and name HG2 ))
2.500 2.500 3.500 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.69684E-02 ppm1 9.664 ppm2 2.431 CV 1
OR { 1605}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
ASSI { 1608}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
2.300 0.700 0.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.73021E-02 ppm1 9.664 ppm2 2.048 CV 1
OR { 1608}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
ASSI { 1628}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 55 and name HB2 ))
3.300 1.300 1.300 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.29772E-02 ppm1 7.784 ppm2 3.771 CV 1
OR { 1628}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
ASSI { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 88 and name HA ))
2.800 2.800 3.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.76841E-02 ppm1 7.326 ppm2 4.044 CV 1
OR { 1655}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 89 and name HA ))
OR { 1655}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 89 and name HA ))
ASSI { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
3.400 1.400 1.400 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.18463E-02 ppm1 7.319 ppm2 1.446 CV 1
OR { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 1669}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
1.900 0.400 0.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.10723E-01 ppm1 7.326 ppm2 2.321 CV 1
OR { 1669}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 1671}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
3.100 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.26874E-02 ppm1 7.551 ppm2 3.306 CV 1
OR { 1671}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 1674}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
3.000 1.100 1.100 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.28234E-02 ppm1 9.664 ppm2 7.873 CV 1
OR { 1674}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
ASSI { 1689}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 13 and name HG12))
2.800 2.800 3.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.60039E-02 ppm1 7.326 ppm2 1.774 CV 1
OR { 1689}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 13 and name HG12))
OR { 1689}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HB2 ))
ASSI { 1703}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
2.300 0.600 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.93225E-02 ppm1 7.538 ppm2 4.181 CV 1
OR { 1703}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
ASSI { 1734}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
3.300 1.300 1.300 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.26000E-02 ppm1 8.522 ppm2 1.118 CV 1
OR { 1734}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 1738}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HN ))
2.200 0.600 0.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.75076E-02 ppm1 8.515 ppm2 7.900 CV 1
OR { 1738}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HN ))
OR { 1738}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
OR { 1738}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 40 and name HN ))
ASSI { 1752}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.100 0.600 0.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.77137E-02 ppm1 8.515 ppm2 3.470 CV 1
OR { 1752}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 1755}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
2.600 2.600 3.400 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.86696E-02 ppm1 9.274 ppm2 1.473 CV 1
OR { 1755}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 1755}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 1755}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 1755}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 1759}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.200 0.600 0.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.69284E-02 ppm1 7.121 ppm2 8.529 CV 1
OR { 1759}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 1769}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
3.100 1.200 1.200 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.32757E-02 ppm1 9.274 ppm2 8.638 CV 1
OR { 1769}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 1777}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.100 0.600 0.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.10805E-01 ppm1 7.121 ppm2 4.427 CV 1
OR { 1777}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 1783}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 41 and name HB2 ))
1.800 0.400 0.400 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.73634E-02 ppm1 8.509 ppm2 1.583 CV 1
OR { 1783}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
ASSI { 1788}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
2.300 0.700 0.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.51457E-02 ppm1 7.121 ppm2 8.748 CV 1
OR { 1788}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
ASSI { 1791}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 40 and name HG2 ))
3.100 1.200 1.200 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 7.900 ppm2 2.485 CV 1
OR { 1791}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
ASSI { 1796}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HA ))
2.500 0.800 0.800 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.53731E-02 ppm1 8.563 ppm2 4.071 CV 1
OR { 1796}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 37 and name HA ))
ASSI { 1797}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
2.300 0.700 0.700 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.58605E-02 ppm1 7.907 ppm2 8.420 CV 1
OR { 1797}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
ASSI { 1804}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HA ))
2.800 1.000 1.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.30181E-02 ppm1 7.914 ppm2 3.989 CV 1
OR { 1804}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 1804}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1804}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
ASSI { 1812}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 41 and name HN ))
4.100 2.100 1.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.23183E-03 ppm1 7.921 ppm2 8.201 CV 1
OR { 1812}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 60 and name HN ))
OR { 1812}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 41 and name HN ))
OR { 1812}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 60 and name HN ))
ASSI { 1814}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HG2 ))
3.400 1.400 1.400 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.24813E-02 ppm1 7.907 ppm2 2.294 CV 1
OR { 1814}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 1830}
(( segid "AAAA" and resid 37 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
3.300 3.300 2.700 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.72678E-02 ppm1 8.563 ppm2 7.080 CV 1
OR { 1830}
(( segid "BBBB" and resid 37 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1834}
(( segid "AAAA" and resid 40 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
2.800 2.800 3.200 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.75092E-02 ppm1 7.893 ppm2 7.080 CV 1
OR { 1834}
(( segid "BBBB" and resid 40 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1840}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
3.100 1.200 1.200 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.35952E-02 ppm1 8.563 ppm2 4.427 CV 1
OR { 1840}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 1879}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 93 and name HN ))
4.100 2.100 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.19046E-03 ppm1 8.071 ppm2 7.517 CV 1
OR { 1879}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "BBBB" and resid 93 and name HN ))
ASSI { 1889}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HA ))
2.600 0.800 0.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.42139E-02 ppm1 8.666 ppm2 3.962 CV 1
OR { 1889}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 83 and name HA ))
ASSI { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
2.900 1.100 1.100 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.27770E-02 ppm1 8.666 ppm2 3.798 CV 1
OR { 1891}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 1891}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
ASSI { 1894}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 85 and name HN ))
2.300 0.700 0.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.70341E-02 ppm1 8.659 ppm2 7.326 CV 1
OR { 1894}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 85 and name HN ))
ASSI { 1898}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
3.400 1.400 1.400 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.18718E-02 ppm1 8.652 ppm2 3.224 CV 1
OR { 1898}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 1898}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
ASSI { 1899}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HN ))
2.200 0.600 0.600 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.76349E-02 ppm1 8.659 ppm2 8.037 CV 1
OR { 1899}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 83 and name HN ))
ASSI { 1904}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
2.800 2.800 3.200 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.72944E-02 ppm1 8.659 ppm2 1.884 CV 1
OR { 1904}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
ASSI { 1945}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 46 and name HA ))
2.600 0.800 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.38533E-02 ppm1 7.319 ppm2 3.442 CV 1
OR { 1945}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 46 and name HA ))
ASSI { 1968}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
2.200 0.600 0.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.10281E-01 ppm1 8.180 ppm2 7.900 CV 1
OR { 1968}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 40 and name HN ))
ASSI { 1973}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
2.900 1.000 1.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.43095E-02 ppm1 8.174 ppm2 2.485 CV 1
OR { 1973}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 40 and name HG2 ))
ASSI { 1984}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
2.200 0.600 0.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.95983E-02 ppm1 7.955 ppm2 1.884 CV 1
OR { 1984}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
ASSI { 1994}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
2.000 0.500 0.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.91521E-02 ppm1 8.180 ppm2 1.583 CV 1
OR { 1994}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 2027}
(( segid "BBBB" and resid 6 and name HN ))
(( segid "BBBB" and resid 7 and name HN ))
3.300 1.400 1.400 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.18944E-02 ppm1 8.037 ppm2 8.666 CV 1
OR { 2027}
(( segid "AAAA" and resid 6 and name HN ))
(( segid "AAAA" and resid 7 and name HN ))
ASSI { 2035}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
2.100 0.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.71440E-02 ppm1 7.695 ppm2 2.321 CV 1
OR { 2035}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 2041}
(( segid "BBBB" and resid 65 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.800 1.000 1.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.27751E-02 ppm1 8.057 ppm2 2.841 CV 1
OR { 2041}
(( segid "AAAA" and resid 65 and name HN ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 2046}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
3.100 1.200 1.200 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 7.695 ppm2 3.224 CV 1
OR { 2046}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 2051}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 79 and name HA ))
2.600 0.900 0.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.50596E-02 ppm1 7.695 ppm2 3.962 CV 1
OR { 2051}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 79 and name HA ))
ASSI { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
3.300 1.400 1.400 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 7.695 ppm2 3.798 CV 1
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 81 and name HA1 ))
OR { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
ASSI { 2098}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
3.200 3.200 2.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.24870E-02 ppm1 10.334 ppm2 9.158 CV 1
OR { 2098}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
ASSI { 2113}
(( segid "BBBB" and resid 97 and name HN ))
(( segid "BBBB" and resid 97 and name HB2 ))
3.400 1.400 1.400 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 8.249 ppm2 1.719 CV 1
OR { 2113}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 97 and name HB2 ))
OR { 2113}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 96 and name HB2 ))
ASSI { 2124}
(( segid "BBBB" and resid 34 and name HN ))
( segid "BBBB" and resid 33 and name HD2%)
4.000 2.000 2.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.20027E-02 ppm1 9.801 ppm2 0.981 CV 1
OR { 2124}
(( segid "AAAA" and resid 34 and name HN ))
( segid "AAAA" and resid 33 and name HD2%)
ASSI { 2128}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "BBBB" and resid 95 and name HB ))
3.100 3.100 2.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 7.100 ppm2 1.747 CV 1
OR { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "AAAA" and resid 95 and name HB ))
OR { 2128}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "BBBB" and resid 96 and name HB2 ))
OR { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 70 and name HB2 ))
ASSI { 2133}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 72 and name HN ))
3.500 1.500 1.500 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.14206E-02 ppm1 10.348 ppm2 8.939 CV 1
OR { 2133}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 72 and name HN ))
ASSI { 2137}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
2.700 2.700 3.300 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.60751E-02 ppm1 9.808 ppm2 2.294 CV 1
OR { 2137}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
OR { 2137}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 72 and name HB2 ))
OR { 2137}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 2137}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 2139}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
2.900 1.100 1.100 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 9.808 ppm2 3.689 CV 1
OR { 2139}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 24 and name HA ))
ASSI { 2142}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 34 and name HB2 ))
3.000 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 9.808 ppm2 3.442 CV 1
OR { 2142}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 34 and name HB2 ))
ASSI { 2144}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
3.300 1.400 1.400 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.13258E-02 ppm1 9.801 ppm2 8.748 CV 1
OR { 2144}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
ASSI { 2147}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
3.100 1.200 1.200 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.25319E-02 ppm1 9.794 ppm2 8.529 CV 1
OR { 2147}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 2155}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HG ))
2.700 0.900 0.900 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.31102E-02 ppm1 9.808 ppm2 1.528 CV 1
OR { 2155}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HG ))
ASSI { 2157}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
2.600 0.900 0.900 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.60103E-02 ppm1 9.801 ppm2 2.020 CV 1
OR { 2157}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
OR { 2157}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 35 and name HB ))
ASSI { 2159}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
3.500 1.600 1.600 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 7.093 ppm2 9.295 CV 1
OR { 2159}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 2164}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
3.500 1.500 1.500 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.16445E-02 ppm1 9.808 ppm2 9.185 CV 1
OR { 2164}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
ASSI { 2184}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HA ))
2.700 0.900 0.900 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.38637E-02 ppm1 9.534 ppm2 4.892 CV 1
OR { 2184}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HA ))
ASSI { 2185}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HD2 ))
3.400 1.500 1.500 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 9.520 ppm2 3.306 CV 1
OR { 2185}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HD2 ))
ASSI { 2187}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 93 and name HA ))
2.500 2.500 3.500 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.83280E-02 ppm1 8.126 ppm2 4.071 CV 1
OR { 2187}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 93 and name HA ))
OR { 2187}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 98 and name HA ))
OR { 2187}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 98 and name HA ))
ASSI { 2189}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HB2 ))
2.800 1.000 1.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.27966E-02 ppm1 9.534 ppm2 2.294 CV 1
OR { 2189}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 2189}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 2193}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
3.500 1.500 1.500 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.17559E-02 ppm1 8.132 ppm2 3.142 CV 1
OR { 2193}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
ASSI { 2199}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 96 and name HB2 ))
2.600 0.900 0.900 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.41515E-02 ppm1 8.126 ppm2 1.747 CV 1
OR { 2199}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 96 and name HB2 ))
OR { 2199}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 95 and name HB ))
ASSI { 2200}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
3.000 1.100 1.100 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.39801E-02 ppm1 9.534 ppm2 3.005 CV 1
OR { 2200}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 2205}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HN ))
2.400 0.700 0.700 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.20302E-02 ppm1 9.527 ppm2 8.912 CV 1
OR { 2205}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HN ))
ASSI { 2215}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.700 0.900 0.900 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.44130E-02 ppm1 8.625 ppm2 4.126 CV 1
OR { 2215}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
ASSI { 2219}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
2.300 0.700 0.700 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.51816E-02 ppm1 8.625 ppm2 3.798 CV 1
OR { 2219}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 2231}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HB ))
2.100 0.600 0.600 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 8.625 ppm2 2.649 CV 1
OR { 2231}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HB ))
ASSI { 2250}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "AAAA" and resid 1 and name HB2 ))
2.600 0.800 0.800 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.10584E-01 ppm1 8.180 ppm2 1.993 CV 1
OR { 2250}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "BBBB" and resid 1 and name HB2 ))
ASSI { 2293}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
3.700 1.700 1.700 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.13894E-02 ppm1 9.172 ppm2 8.474 CV 1
OR { 2293}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
ASSI { 2307}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 32 and name HA ))
2.400 0.700 0.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.52759E-02 ppm1 9.179 ppm2 5.138 CV 1
OR { 2307}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 32 and name HA ))
ASSI { 2311}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 27 and name HG2 ))
3.000 3.000 3.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.24984E-02 ppm1 9.172 ppm2 2.212 CV 1
OR { 2311}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 27 and name HG2 ))
ASSI { 2314}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 34 and name HA ))
3.200 1.300 1.300 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.19554E-02 ppm1 9.172 ppm2 4.892 CV 1
OR { 2314}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
OR { 2314}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 72 and name HA ))
ASSI { 2330}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 33 and name HA ))
2.900 1.000 1.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 9.179 ppm2 5.275 CV 1
OR { 2330}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 33 and name HA ))
ASSI { 2532}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HG2 ))
2.700 0.900 0.900 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.16321E-02 ppm1 10.245 ppm2 1.555 CV 1
OR { 2532}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 2544}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HN ))
3.600 1.600 1.600 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 10.245 ppm2 9.322 CV 1
OR { 2544}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HN ))
ASSI { 2550}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HE3 ))
3.300 1.400 1.400 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 10.245 ppm2 7.654 CV 1
OR { 2550}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HE3 ))
ASSI { 2552}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HD1 ))
3.300 1.300 1.300 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 10.238 ppm2 7.216 CV 1
OR { 2552}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 2563}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HA ))
2.900 2.900 3.100 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.79313E-02 ppm1 10.238 ppm2 3.771 CV 1
OR { 2563}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 2573}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HA ))
3.800 1.800 1.800 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 10.238 ppm2 3.962 CV 1
OR { 2573}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 78 and name HA ))
!RUN17 2D NOE TABLE
ASSI { 5}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
1.600 0.300 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.74604E-01 ppm1 2.143 ppm2 2.334 CV 1
OR { 5}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 8}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
1.400 0.300 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.54758E-01 ppm1 2.014 ppm2 4.001 CV 1
OR { 8}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 8}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 8}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 8}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
ASSI { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 8 and name HA ))
2.000 2.000 4.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.42092E-01 ppm1 1.487 ppm2 4.130 CV 1
OR { 11}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 11}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 47 and name HA ))
OR { 11}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 11}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 74 and name HB2 ))
2.100 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.26519E-01 ppm1 0.865 ppm2 3.995 CV 1
OR { 12}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "AAAA" and resid 74 and name HB2 ))
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 95 and name HA ))
OR { 12}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 95 and name HA ))
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 74 and name HA ))
ASSI { 13}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.400 2.400 3.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18139E-01 ppm1 2.436 ppm2 2.544 CV 1
OR { 13}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 15}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 63 and name HA ))
1.800 0.400 0.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.22872E-01 ppm1 1.170 ppm2 4.194 CV 1
OR { 15}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 63 and name HA ))
ASSI { 18}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 22 and name HA ))
2.200 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.25251E-01 ppm1 0.830 ppm2 3.837 CV 1
OR { 18}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HA ))
OR { 18}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 18}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 94 and name HA1 ))
ASSI { 21}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HA ))
2.000 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.23828E-01 ppm1 1.194 ppm2 4.101 CV 1
OR { 21}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HA ))
OR { 21}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 21}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 21}
(( segid "BBBB" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 15 and name HA ))
ASSI { 22}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
1.800 0.400 0.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24880E-01 ppm1 1.697 ppm2 3.030 CV 1
OR { 22}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
ASSI { 24}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
2.700 2.700 3.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10849E-01 ppm1 3.561 ppm2 3.750 CV 1
OR { 24}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 27}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 61 and name HA ))
1.900 0.400 0.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.41038E-01 ppm1 1.897 ppm2 4.025 CV 1
OR { 27}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 61 and name HA ))
ASSI { 30}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 71 and name HG ))
2.100 2.100 3.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10637E-01 ppm1 1.299 ppm2 1.433 CV 1
OR { 30}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 93 and name HG ))
OR { 30}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 93 and name HG ))
OR { 30}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 30}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 30}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 61 and name HG2 ))
ASSI { 38}
(( segid "BBBB" and resid 98 and name HA ))
(( segid "BBBB" and resid 97 and name HA ))
3.300 1.400 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.20121E-02 ppm1 4.053 ppm2 4.194 CV 1
OR { 38}
(( segid "AAAA" and resid 98 and name HA ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 38}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 62 and name HA ))
OR { 38}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 62 and name HA ))
OR { 38}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 38}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 39}
(( segid "BBBB" and resid 78 and name HG2 ))
(( segid "BBBB" and resid 69 and name HA ))
2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12843E-01 ppm1 1.533 ppm2 4.323 CV 1
OR { 39}
(( segid "AAAA" and resid 78 and name HG2 ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 39}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 39}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 39}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 39}
(( segid "AAAA" and resid 89 and name HD2 ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 42}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 22 and name HB ))
2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10781E-01 ppm1 0.819 ppm2 4.323 CV 1
OR { 42}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HB ))
ASSI { 46}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HG2 ))
1.900 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.18940E-01 ppm1 1.018 ppm2 2.252 CV 1
OR { 46}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 90 and name HG2 ))
ASSI { 47}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 36 and name HB2 ))
2.100 2.100 3.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.28317E-01 ppm1 1.662 ppm2 2.925 CV 1
OR { 47}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 36 and name HB2 ))
ASSI { 51}
(( segid "BBBB" and resid 97 and name HB2 ))
(( segid "BBBB" and resid 97 and name HA ))
2.100 0.500 0.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.21686E-01 ppm1 1.697 ppm2 4.165 CV 1
OR { 51}
(( segid "AAAA" and resid 97 and name HB2 ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 51}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 9 and name HA ))
OR { 51}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 9 and name HA ))
ASSI { 60}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 96 and name HA ))
1.900 0.500 0.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.21275E-01 ppm1 1.721 ppm2 4.247 CV 1
OR { 60}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 57 and name HA ))
OR { 60}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 60}
(( segid "BBBB" and resid 60 and name HB2 ))
(( segid "BBBB" and resid 57 and name HA ))
ASSI { 64}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
2.400 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.12788E-01 ppm1 2.319 ppm2 4.107 CV 1
OR { 64}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 64}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 43 and name HB ))
OR { 64}
(( segid "BBBB" and resid 44 and name HB2 ))
(( segid "BBBB" and resid 43 and name HB ))
OR { 64}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 64}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 64}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
ASSI { 65}
(( segid "AAAA" and resid 17 and name HB ))
(( segid "AAAA" and resid 17 and name HA ))
2.100 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11303E-01 ppm1 2.283 ppm2 4.130 CV 1
OR { 65}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 65}
(( segid "BBBB" and resid 8 and name HG2 ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 65}
(( segid "AAAA" and resid 8 and name HG2 ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 68}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 82 and name HA ))
2.900 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.66054E-02 ppm1 3.561 ppm2 3.820 CV 1
OR { 68}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 68}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 68}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 68}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 68}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 81 and name HA1 ))
ASSI { 69}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 79 and name HA ))
2.300 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15511E-01 ppm1 1.498 ppm2 3.960 CV 1
OR { 69}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 79 and name HA ))
OR { 69}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 83 and name HA ))
OR { 69}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 83 and name HA ))
OR { 69}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 78 and name HA ))
OR { 69}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 78 and name HA ))
OR { 69}
(( segid "AAAA" and resid 50 and name HG ))
(( segid "AAAA" and resid 51 and name HA ))
ASSI { 70}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
2.200 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13970E-01 ppm1 2.131 ppm2 4.095 CV 1
OR { 70}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 71}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
2.200 2.200 3.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.14091E-01 ppm1 1.779 ppm2 3.545 CV 1
OR { 71}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 71}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 71}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 72}
(( segid "AAAA" and resid 67 and name HB2 ))
(( segid "AAAA" and resid 67 and name HA ))
2.000 0.500 0.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.19939E-01 ppm1 2.143 ppm2 3.990 CV 1
OR { 72}
(( segid "BBBB" and resid 67 and name HB2 ))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 73}
(( segid "BBBB" and resid 13 and name HG11))
(( segid "AAAA" and resid 87 and name HA ))
2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.90279E-02 ppm1 1.604 ppm2 4.329 CV 1
OR { 73}
(( segid "AAAA" and resid 13 and name HG11))
(( segid "BBBB" and resid 87 and name HA ))
OR { 73}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 1 and name HA ))
OR { 73}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 1 and name HA ))
ASSI { 74}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 67 and name HA ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.84532E-02 ppm1 1.651 ppm2 3.984 CV 1
OR { 74}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 67 and name HA ))
OR { 74}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 74}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 74}
(( segid "BBBB" and resid 51 and name HD2 ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 74}
(( segid "AAAA" and resid 51 and name HD2 ))
(( segid "AAAA" and resid 51 and name HA ))
ASSI { 75}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 89 and name HA ))
2.300 0.600 0.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12937E-01 ppm1 1.686 ppm2 4.013 CV 1
OR { 75}
(( segid "BBBB" and resid 89 and name HB2 ))
(( segid "BBBB" and resid 89 and name HA ))
OR { 75}
(( segid "BBBB" and resid 98 and name HB2 ))
(( segid "BBBB" and resid 98 and name HA ))
OR { 75}
(( segid "AAAA" and resid 98 and name HB2 ))
(( segid "AAAA" and resid 98 and name HA ))
OR { 75}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 75}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 75}
(( segid "BBBB" and resid 61 and name HD2 ))
(( segid "BBBB" and resid 61 and name HA ))
OR { 75}
(( segid "AAAA" and resid 61 and name HD2 ))
(( segid "AAAA" and resid 61 and name HA ))
ASSI { 78}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.10224E-01 ppm1 3.244 ppm2 3.978 CV 1
OR { 78}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 69 and name HB2 ))
OR { 78}
(( segid "AAAA" and resid 26 and name HD2 ))
(( segid "AAAA" and resid 26 and name HA ))
OR { 78}
(( segid "BBBB" and resid 26 and name HD2 ))
(( segid "BBBB" and resid 26 and name HA ))
ASSI { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 88 and name HG2 ))
2.400 2.400 3.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.12827E-01 ppm1 0.760 ppm2 1.544 CV 1
OR { 79}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 79 and name HG ))
ASSI { 82}
(( segid "BBBB" and resid 41 and name HG ))
( segid "AAAA" and resid 7 and name HG2%)
2.500 2.500 3.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.21153E-01 ppm1 0.983 ppm2 1.368 CV 1
OR { 82}
(( segid "AAAA" and resid 41 and name HG ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 85}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.400 2.400 3.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11736E-01 ppm1 0.983 ppm2 1.286 CV 1
ASSI { 90}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 4 and name HA ))
2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11717E-01 ppm1 2.190 ppm2 4.276 CV 1
OR { 90}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 4 and name HA ))
OR { 90}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HA ))
OR { 90}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 57 and name HA ))
ASSI { 91}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 21 and name HE% )
2.100 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.86957E-02 ppm1 6.702 ppm2 7.102 CV 1
OR { 91}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
OR { 91}
( segid "AAAA" and resid 76 and name HE% )
( segid "AAAA" and resid 21 and name HE% )
ASSI { 98}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 87 and name HA ))
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.94506E-02 ppm1 1.920 ppm2 4.270 CV 1
OR { 98}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 99}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 88 and name HA ))
2.300 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.12819E-01 ppm1 1.580 ppm2 4.001 CV 1
OR { 99}
(( segid "BBBB" and resid 88 and name HG2 ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 99}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HA ))
OR { 99}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HA ))
OR { 99}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 99}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
ASSI { 102}
( segid "AAAA" and resid 73 and name HD% )
(( segid "AAAA" and resid 75 and name HN ))
2.100 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.76178E-02 ppm1 6.573 ppm2 7.102 CV 1
OR { 102}
( segid "AAAA" and resid 73 and name HD% )
( segid "AAAA" and resid 73 and name HE% )
OR { 102}
( segid "BBBB" and resid 73 and name HD% )
( segid "BBBB" and resid 73 and name HE% )
OR { 102}
( segid "AAAA" and resid 20 and name HD% )
( segid "AAAA" and resid 20 and name HE% )
OR { 102}
( segid "BBBB" and resid 73 and name HD% )
(( segid "BBBB" and resid 75 and name HN ))
OR { 102}
( segid "BBBB" and resid 20 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
OR { 102}
( segid "BBBB" and resid 20 and name HD% )
( segid "BBBB" and resid 21 and name HE% )
ASSI { 106}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 30 and name HA ))
2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.78857E-02 ppm1 1.885 ppm2 4.405 CV 1
OR { 106}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 30 and name HA ))
ASSI { 108}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 11 and name HA ))
2.600 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.75258E-02 ppm1 2.436 ppm2 4.124 CV 1
OR { 108}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 108}
(( segid "BBBB" and resid 10 and name HG2 ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 108}
(( segid "BBBB" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
ASSI { 109}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
3.000 3.000 3.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.57659E-02 ppm1 2.295 ppm2 2.515 CV 1
OR { 109}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 109}
(( segid "BBBB" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 109}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 113}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
2.600 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.88780E-02 ppm1 2.037 ppm2 2.176 CV 1
OR { 113}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 113}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 67 and name HB2 ))
OR { 113}
(( segid "BBBB" and resid 35 and name HB ))
(( segid "BBBB" and resid 67 and name HB2 ))
ASSI { 114}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
2.500 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.98055E-02 ppm1 2.049 ppm2 2.187 CV 1
OR { 114}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 114}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
OR { 114}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 40 and name HB2 ))
ASSI { 116}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 57 and name HA ))
2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.83355E-02 ppm1 2.506 ppm2 4.294 CV 1
OR { 116}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 117}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 87 and name HA ))
2.800 2.800 3.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.58550E-02 ppm1 0.760 ppm2 4.329 CV 1
OR { 117}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 69 and name HA ))
OR { 117}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 69 and name HA ))
ASSI { 119}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 24 and name HA ))
2.300 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11495E-01 ppm1 2.061 ppm2 3.674 CV 1
OR { 119}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 119}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 119}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 24 and name HA ))
OR { 119}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 120}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 59 and name HA ))
3.300 3.300 2.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.71515E-02 ppm1 2.530 ppm2 4.118 CV 1
OR { 120}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 59 and name HA ))
ASSI { 121}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 43 and name HB ))
2.800 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.41420E-02 ppm1 3.807 ppm2 4.101 CV 1
OR { 121}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
OR { 121}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 121}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 17 and name HA ))
OR { 121}
(( segid "BBBB" and resid 22 and name HA ))
(( segid "BBBB" and resid 18 and name HA ))
OR { 121}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 18 and name HA ))
ASSI { 131}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "BBBB" and resid 79 and name HN ))
2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.65831E-02 ppm1 1.428 ppm2 6.857 CV 1
OR { 131}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 79 and name HN ))
ASSI { 134}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
2.200 2.200 3.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15894E-01 ppm1 1.862 ppm2 2.199 CV 1
OR { 134}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 134}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 65 and name HB ))
OR { 134}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 65 and name HB ))
ASSI { 137}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 78 and name HD2 ))
3.400 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.11900E-02 ppm1 3.092 ppm2 3.182 CV 1
OR { 137}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 78 and name HD2 ))
ASSI { 138}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 1 and name HA ))
2.800 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.50438E-02 ppm1 1.112 ppm2 4.311 CV 1
OR { 138}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 41 and name HA ))
OR { 138}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 41 and name HA ))
ASSI { 139}
( segid "BBBB" and resid 23 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.57613E-02 ppm1 6.854 ppm2 7.079 CV 1
OR { 139}
( segid "AAAA" and resid 23 and name HD% )
( segid "AAAA" and resid 20 and name HE% )
OR { 139}
( segid "AAAA" and resid 76 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
OR { 139}
( segid "BBBB" and resid 76 and name HD% )
( segid "BBBB" and resid 21 and name HE% )
ASSI { 141}
(( segid "AAAA" and resid 18 and name HB2 ))
(( segid "AAAA" and resid 18 and name HA ))
3.300 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12503E-02 ppm1 3.889 ppm2 4.066 CV 1
OR { 141}
(( segid "BBBB" and resid 18 and name HB2 ))
(( segid "BBBB" and resid 18 and name HA ))
OR { 141}
(( segid "AAAA" and resid 18 and name HB1 ))
(( segid "AAAA" and resid 18 and name HA ))
OR { 141}
(( segid "BBBB" and resid 18 and name HB1 ))
(( segid "BBBB" and resid 18 and name HA ))
ASSI { 142}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HE2 ))
2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.72365E-02 ppm1 1.604 ppm2 3.176 CV 1
OR { 142}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HE2 ))
ASSI { 145}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 76 and name HD% )
2.900 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.58404E-02 ppm1 6.713 ppm2 6.851 CV 1
OR { 145}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 76 and name HD% )
OR { 145}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 23 and name HD% )
OR { 145}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 23 and name HD% )
ASSI { 147}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 51 and name HA ))
2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.77204E-02 ppm1 1.346 ppm2 3.960 CV 1
OR { 147}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 51 and name HA ))
ASSI { 149}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 82 and name HA ))
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.60291E-02 ppm1 1.522 ppm2 3.832 CV 1
OR { 149}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 149}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 149}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 149}
(( segid "AAAA" and resid 96 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 150}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.700 2.700 3.300 peak 150 spectrum 1 weight 0.10000E+01 volume 0.11501E-01 ppm1 1.510 ppm2 2.825 CV 1
OR { 150}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 157}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
3.600 1.600 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.84538E-03 ppm1 2.248 ppm2 2.357 CV 1
OR { 157}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 157}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 157}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
OR { 157}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 157}
(( segid "BBBB" and resid 27 and name HG2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
ASSI { 160}
(( segid "BBBB" and resid 88 and name HG2 ))
(( segid "BBBB" and resid 85 and name HA ))
2.700 2.700 3.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.81358E-02 ppm1 1.580 ppm2 3.551 CV 1
OR { 160}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 161}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HA ))
2.300 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.73306E-02 ppm1 1.404 ppm2 4.089 CV 1
OR { 161}
(( segid "BBBB" and resid 93 and name HG ))
(( segid "BBBB" and resid 93 and name HA ))
ASSI { 162}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 79 and name HB2 ))
2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.86727E-02 ppm1 1.908 ppm2 2.240 CV 1
OR { 162}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 79 and name HB2 ))
ASSI { 163}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 61 and name HD2 ))
2.600 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.30176E-02 ppm1 1.428 ppm2 1.667 CV 1
OR { 163}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 61 and name HD2 ))
OR { 163}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 46 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 9 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 46 and name HB2 ))
OR { 163}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 9 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HB2 ))
ASSI { 165}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 35 and name HA ))
2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.68302E-02 ppm1 1.674 ppm2 4.405 CV 1
OR { 165}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 35 and name HA ))
OR { 165}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 165}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 168}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 44 and name HA ))
2.800 2.800 3.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.63466E-02 ppm1 2.026 ppm2 4.235 CV 1
OR { 168}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 168}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 4 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 49 and name HA ))
OR { 168}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 49 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 49 and name HA ))
OR { 168}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 49 and name HA ))
ASSI { 171}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 1 and name HA ))
2.800 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.47774E-02 ppm1 4.147 ppm2 4.358 CV 1
OR { 171}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "AAAA" and resid 1 and name HA ))
OR { 171}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 171}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 171}
(( segid "BBBB" and resid 15 and name HA ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 171}
(( segid "AAAA" and resid 15 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
ASSI { 174}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 43 and name HA ))
2.400 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.67674E-02 ppm1 1.440 ppm2 3.820 CV 1
OR { 174}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 174}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "AAAA" and resid 16 and name HA ))
OR { 174}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 174}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 174}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 81 and name HA1 ))
OR { 174}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 174}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 16 and name HA ))
OR { 174}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 176}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 51 and name HG2 ))
3.700 1.700 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.89264E-03 ppm1 1.194 ppm2 1.357 CV 1
OR { 176}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 51 and name HG2 ))
OR { 176}
( segid "BBBB" and resid 5 and name HG2%)
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 177}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
2.100 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.92390E-02 ppm1 1.779 ppm2 3.317 CV 1
OR { 177}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 183}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "BBBB" and resid 6 and name HA ))
2.400 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.60587E-02 ppm1 1.475 ppm2 4.370 CV 1
OR { 183}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 183}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 75 and name HA ))
ASSI { 184}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 20 and name HE% )
2.300 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.60328E-02 ppm1 4.170 ppm2 7.102 CV 1
OR { 184}
(( segid "AAAA" and resid 38 and name HA ))
( segid "AAAA" and resid 20 and name HE% )
OR { 184}
(( segid "BBBB" and resid 9 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
ASSI { 189}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 96 and name HD2 ))
2.600 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.74197E-02 ppm1 1.768 ppm2 3.112 CV 1
OR { 189}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 96 and name HD2 ))
OR { 189}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 189}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 51 and name HE2 ))
ASSI { 190}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 39 and name HA ))
2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.46925E-02 ppm1 2.506 ppm2 3.978 CV 1
OR { 190}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 190}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 190}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 40 and name HA ))
OR { 190}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HA ))
ASSI { 193}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 29 and name HD2 ))
2.500 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.61903E-02 ppm1 1.803 ppm2 3.170 CV 1
OR { 193}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
ASSI { 195}
(( segid "AAAA" and resid 13 and name HG11))
(( segid "BBBB" and resid 86 and name HG2 ))
2.600 2.600 3.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.88612E-02 ppm1 1.604 ppm2 2.334 CV 1
OR { 195}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 195}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
ASSI { 197}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
3.400 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.26699E-02 ppm1 4.030 ppm2 4.300 CV 1
OR { 197}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 197}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "BBBB" and resid 57 and name HA ))
OR { 197}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "AAAA" and resid 57 and name HA ))
OR { 197}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 12 and name HA ))
2.900 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 2.061 ppm2 4.393 CV 1
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 12 and name HA ))
ASSI { 200}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 75 and name HN ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.57354E-02 ppm1 1.440 ppm2 7.085 CV 1
OR { 200}
(( segid "BBBB" and resid 9 and name HG ))
( segid "AAAA" and resid 21 and name HE% )
OR { 200}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 75 and name HN ))
OR { 200}
(( segid "AAAA" and resid 9 and name HG ))
( segid "BBBB" and resid 21 and name HE% )
OR { 200}
(( segid "BBBB" and resid 71 and name HG ))
( segid "BBBB" and resid 73 and name HE% )
OR { 200}
(( segid "AAAA" and resid 71 and name HG ))
( segid "AAAA" and resid 73 and name HE% )
OR { 200}
(( segid "AAAA" and resid 83 and name HG ))
( segid "AAAA" and resid 21 and name HE% )
ASSI { 206}
(( segid "BBBB" and resid 60 and name HB2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.72012E-02 ppm1 1.721 ppm2 2.521 CV 1
OR { 206}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 207}
(( segid "AAAA" and resid 49 and name HB2 ))
(( segid "AAAA" and resid 49 and name HA ))
2.800 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.39080E-02 ppm1 1.580 ppm2 4.224 CV 1
OR { 207}
(( segid "BBBB" and resid 49 and name HB2 ))
(( segid "BBBB" and resid 49 and name HA ))
OR { 207}
(( segid "BBBB" and resid 96 and name HG2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 207}
(( segid "AAAA" and resid 96 and name HG2 ))
(( segid "AAAA" and resid 96 and name HA ))
ASSI { 209}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
3.000 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.38982E-02 ppm1 1.311 ppm2 3.012 CV 1
OR { 209}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 211}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 66 and name HB2 ))
2.500 2.500 3.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.42268E-02 ppm1 1.651 ppm2 3.252 CV 1
OR { 211}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 212}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.400 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.80161E-02 ppm1 2.858 ppm2 3.814 CV 1
OR { 212}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 212}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA2 ))
ASSI { 213}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 21 and name HE% )
2.800 2.800 3.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.62323E-02 ppm1 1.276 ppm2 7.102 CV 1
OR { 213}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 21 and name HE% )
OR { 213}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 20 and name HE% )
OR { 213}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 20 and name HE% )
OR { 213}
(( segid "BBBB" and resid 39 and name HG2 ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 217}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 43 and name HB ))
2.600 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.31814E-02 ppm1 1.112 ppm2 4.095 CV 1
OR { 217}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 43 and name HB ))
ASSI { 222}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 75 and name HB2 ))
2.300 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.73936E-02 ppm1 1.475 ppm2 2.316 CV 1
OR { 222}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 222}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 222}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 224}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 83 and name HA ))
3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.28844E-02 ppm1 3.561 ppm2 3.949 CV 1
OR { 224}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 83 and name HA ))
OR { 224}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 83 and name HA ))
OR { 224}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 83 and name HA ))
ASSI { 226}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.900 2.900 3.100 peak 226 spectrum 1 weight 0.10000E+01 volume 0.52004E-02 ppm1 1.873 ppm2 2.328 CV 1
OR { 226}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 226}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 226}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 226}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 233}
(( segid "AAAA" and resid 33 and name HB2 ))
(( segid "AAAA" and resid 70 and name HG2 ))
2.800 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.23940E-02 ppm1 1.955 ppm2 2.070 CV 1
OR { 233}
(( segid "BBBB" and resid 33 and name HB2 ))
(( segid "BBBB" and resid 70 and name HG2 ))
OR { 233}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 14 and name HB2 ))
ASSI { 236}
(( segid "BBBB" and resid 25 and name HA2 ))
(( segid "BBBB" and resid 25 and name HA1 ))
2.800 2.800 3.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.15885E-02 ppm1 3.889 ppm2 4.153 CV 1
OR { 236}
(( segid "AAAA" and resid 25 and name HA2 ))
(( segid "AAAA" and resid 25 and name HA1 ))
ASSI { 237}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 10 and name HA ))
3.000 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.33379E-02 ppm1 1.709 ppm2 3.703 CV 1
OR { 237}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 237}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 237}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 237}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 237}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 240}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 47 and name HA ))
3.100 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 2.014 ppm2 4.177 CV 1
OR { 240}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 240}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 47 and name HA ))
OR { 240}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 47 and name HA ))
ASSI { 242}
(( segid "BBBB" and resid 73 and name HB2 ))
( segid "BBBB" and resid 73 and name HD% )
2.600 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.40817E-02 ppm1 3.022 ppm2 6.582 CV 1
OR { 242}
(( segid "BBBB" and resid 20 and name HB2 ))
( segid "BBBB" and resid 20 and name HD% )
OR { 242}
(( segid "AAAA" and resid 20 and name HB2 ))
( segid "AAAA" and resid 20 and name HD% )
OR { 242}
(( segid "AAAA" and resid 73 and name HB2 ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 246}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 4 and name HA ))
2.900 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.34742E-02 ppm1 2.764 ppm2 4.288 CV 1
OR { 246}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 22 and name HB ))
OR { 246}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 22 and name HB ))
OR { 246}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
ASSI { 252}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.53741E-02 ppm1 3.069 ppm2 3.855 CV 1
OR { 252}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 252}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 252}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 252}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 252}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 257}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 42 and name HN ))
3.000 3.000 3.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 4.393 ppm2 8.501 CV 1
OR { 257}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 42 and name HN ))
ASSI { 259}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 75 and name HA ))
3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 4.030 ppm2 4.364 CV 1
OR { 259}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 75 and name HA ))
OR { 259}
(( segid "AAAA" and resid 89 and name HA ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 259}
(( segid "BBBB" and resid 89 and name HA ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 259}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 259}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 259}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "AAAA" and resid 1 and name HA ))
OR { 259}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 259}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
ASSI { 260}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "BBBB" and resid 86 and name HG2 ))
2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.45009E-02 ppm1 1.791 ppm2 2.334 CV 1
OR { 260}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 45 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 260}
(( segid "AAAA" and resid 45 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 260}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 261}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 46 and name HN ))
3.000 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.28488E-02 ppm1 1.369 ppm2 7.284 CV 1
OR { 261}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 46 and name HN ))
OR { 261}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "AAAA" and resid 86 and name HN ))
OR { 261}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 46 and name HN ))
OR { 261}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 86 and name HN ))
ASSI { 266}
(( segid "AAAA" and resid 43 and name HG1 ))
( segid "AAAA" and resid 38 and name HD% )
3.400 3.400 2.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.22373E-02 ppm1 1.100 ppm2 7.020 CV 1
ASSI { 267}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 42 and name HN ))
3.100 3.100 2.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.25300E-02 ppm1 1.428 ppm2 8.501 CV 1
OR { 267}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 42 and name HN ))
ASSI { 272}
(( segid "BBBB" and resid 96 and name HD2 ))
(( segid "BBBB" and resid 96 and name HA ))
2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.58693E-02 ppm1 3.092 ppm2 4.229 CV 1
OR { 272}
(( segid "AAAA" and resid 96 and name HD2 ))
(( segid "AAAA" and resid 96 and name HA ))
ASSI { 277}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 16 and name HN ))
2.900 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.39387E-02 ppm1 1.252 ppm2 8.641 CV 1
OR { 277}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 16 and name HN ))
OR { 277}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 278}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 38 and name HD% )
2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.41972E-02 ppm1 0.994 ppm2 7.015 CV 1
OR { 278}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 38 and name HD% )
OR { 278}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 279}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
2.900 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.32337E-02 ppm1 1.498 ppm2 3.048 CV 1
OR { 279}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
OR { 279}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 20 and name HB2 ))
ASSI { 284}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 42 and name HA ))
3.600 1.600 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.26270E-02 ppm1 1.240 ppm2 3.451 CV 1
OR { 284}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 287}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.24709E-02 ppm1 1.451 ppm2 3.551 CV 1
OR { 287}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 287}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 287}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 289}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 17 and name HN ))
2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.36544E-02 ppm1 1.276 ppm2 8.243 CV 1
OR { 289}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 17 and name HN ))
OR { 289}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 97 and name HN ))
ASSI { 298}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.29242E-02 ppm1 3.561 ppm2 4.101 CV 1
OR { 298}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 298}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 298}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 299}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
3.400 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.20769E-02 ppm1 2.072 ppm2 3.545 CV 1
OR { 299}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 299}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 300}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 76 and name HA ))
2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 2.881 ppm2 4.083 CV 1
OR { 300}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
ASSI { 301}
(( segid "BBBB" and resid 38 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
2.300 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.45882E-02 ppm1 3.080 ppm2 7.026 CV 1
OR { 301}
(( segid "AAAA" and resid 38 and name HB2 ))
( segid "AAAA" and resid 38 and name HD% )
OR { 301}
(( segid "BBBB" and resid 38 and name HB2 ))
( segid "BBBB" and resid 23 and name HE% )
OR { 301}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 20 and name HN ))
OR { 301}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 20 and name HN ))
ASSI { 302}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 8 and name HA ))
3.600 1.600 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 3.057 ppm2 4.112 CV 1
OR { 302}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 305}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HD2 ))
3.000 1.100 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.11431E-02 ppm1 1.194 ppm2 1.556 CV 1
OR { 305}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 89 and name HD2 ))
ASSI { 310}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 58 and name HG2 ))
2.800 2.800 3.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.48201E-02 ppm1 1.205 ppm2 2.316 CV 1
OR { 310}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 310}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 310}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 90 and name HG2 ))
OR { 310}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
ASSI { 311}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
3.200 1.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.22835E-02 ppm1 2.131 ppm2 3.258 CV 1
OR { 311}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 311}
(( segid "BBBB" and resid 67 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 311}
(( segid "AAAA" and resid 67 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 312}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 77 and name HN ))
3.300 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.23233E-02 ppm1 1.487 ppm2 9.279 CV 1
OR { 312}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 77 and name HN ))
OR { 312}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 77 and name HN ))
OR { 312}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HN ))
OR { 312}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 11 and name HN ))
OR { 312}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 11 and name HN ))
ASSI { 313}
(( segid "AAAA" and resid 66 and name HB2 ))
( segid "AAAA" and resid 38 and name HD% )
2.800 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.38792E-02 ppm1 3.221 ppm2 7.026 CV 1
OR { 313}
(( segid "BBBB" and resid 66 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
OR { 313}
(( segid "BBBB" and resid 66 and name HB2 ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 314}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38911E-02 ppm1 1.733 ppm2 2.234 CV 1
OR { 314}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 314}
(( segid "BBBB" and resid 60 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 314}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
ASSI { 316}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 41 and name HB2 ))
3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 1.205 ppm2 1.608 CV 1
OR { 316}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 50 and name HB2 ))
OR { 316}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 49 and name HB2 ))
OR { 316}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 317}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
2.900 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.31283E-02 ppm1 2.084 ppm2 3.311 CV 1
OR { 317}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 317}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 317}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
ASSI { 322}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 78 and name HN ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.22902E-02 ppm1 1.463 ppm2 7.254 CV 1
OR { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 322}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 77 and name HD1 ))
ASSI { 323}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.900 1.900 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13246E-02 ppm1 2.201 ppm2 2.515 CV 1
OR { 323}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 323}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 323}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 324}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 48 and name HB2 ))
3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.51190E-02 ppm1 2.014 ppm2 3.340 CV 1
OR { 324}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 324}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 324}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 324}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 56 and name HA ))
ASSI { 330}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 72 and name HB2 ))
2.300 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.58025E-02 ppm1 1.697 ppm2 2.310 CV 1
OR { 330}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 72 and name HB2 ))
OR { 330}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 332}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "BBBB" and resid 86 and name HA ))
3.500 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 1.756 ppm2 4.095 CV 1
OR { 332}
(( segid "AAAA" and resid 95 and name HB ))
(( segid "AAAA" and resid 93 and name HA ))
OR { 332}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 93 and name HA ))
OR { 332}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 17 and name HA ))
OR { 332}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 17 and name HA ))
OR { 332}
(( segid "BBBB" and resid 70 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 332}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 76 and name HA ))
OR { 332}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 11 and name HA ))
OR { 332}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 11 and name HA ))
OR { 332}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "AAAA" and resid 86 and name HA ))
OR { 332}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 332}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 332}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 76 and name HA ))
OR { 332}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 76 and name HA ))
OR { 332}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 93 and name HA ))
ASSI { 335}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 7 and name HB ))
2.900 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 4.487 ppm2 4.926 CV 1
OR { 335}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 7 and name HB ))
ASSI { 347}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.200 3.200 2.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.34855E-02 ppm1 0.994 ppm2 2.527 CV 1
OR { 347}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 350}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.600 1.600 1.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 1.194 ppm2 2.527 CV 1
OR { 350}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 356}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 77 and name HA ))
3.100 3.100 2.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.39645E-02 ppm1 1.979 ppm2 3.750 CV 1
OR { 356}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 357}
(( segid "AAAA" and resid 84 and name HA ))
( segid "BBBB" and resid 21 and name HE% )
3.200 3.200 2.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.25636E-02 ppm1 3.537 ppm2 7.102 CV 1
OR { 357}
(( segid "BBBB" and resid 84 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
OR { 357}
(( segid "AAAA" and resid 85 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
OR { 357}
(( segid "AAAA" and resid 84 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
OR { 357}
(( segid "AAAA" and resid 85 and name HA ))
( segid "AAAA" and resid 20 and name HE% )
ASSI { 359}
(( segid "AAAA" and resid 16 and name HB ))
(( segid "BBBB" and resid 9 and name HA ))
2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.31807E-02 ppm1 2.635 ppm2 4.183 CV 1
OR { 359}
(( segid "BBBB" and resid 16 and name HB ))
(( segid "AAAA" and resid 9 and name HA ))
ASSI { 361}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.26839E-02 ppm1 2.037 ppm2 3.264 CV 1
OR { 361}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
OR { 361}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 361}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 365}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 32 and name HN ))
4.800 3.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.29516E-02 ppm1 1.733 ppm2 7.026 CV 1
OR { 365}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 32 and name HN ))
ASSI { 366}
(( segid "AAAA" and resid 17 and name HB ))
(( segid "AAAA" and resid 17 and name HN ))
2.800 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.19237E-02 ppm1 2.260 ppm2 8.243 CV 1
OR { 366}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HN ))
OR { 366}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 31 and name HN ))
ASSI { 367}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HB2 ))
3.300 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.20375E-02 ppm1 0.994 ppm2 2.076 CV 1
OR { 367}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 90 and name HB2 ))
ASSI { 371}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 1 and name HA ))
3.400 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.21278E-02 ppm1 1.229 ppm2 4.364 CV 1
OR { 371}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 371}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 371}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 2 and name HA ))
ASSI { 383}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA2 ))
3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24388E-02 ppm1 1.709 ppm2 3.855 CV 1
OR { 383}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 31 and name HA2 ))
OR { 383}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA1 ))
OR { 383}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 31 and name HA1 ))
OR { 383}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 92 and name HA ))
OR { 383}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 92 and name HA ))
OR { 383}
(( segid "BBBB" and resid 51 and name HD2 ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 386}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 60 and name HA ))
3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.27311E-02 ppm1 1.440 ppm2 3.276 CV 1
OR { 386}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 386}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 386}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 386}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 56 and name HA ))
ASSI { 391}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 49 and name HA ))
3.500 1.500 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.33372E-02 ppm1 3.315 ppm2 4.206 CV 1
OR { 391}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 49 and name HA ))
OR { 391}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 391}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 63 and name HA ))
ASSI { 406}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 20 and name HD% )
3.400 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.24444E-02 ppm1 0.994 ppm2 6.582 CV 1
OR { 406}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 20 and name HD% )
OR { 406}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 45 and name HE22))
ASSI { 410}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 23 and name HD% )
3.300 1.300 1.300 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 0.994 ppm2 6.868 CV 1
OR { 410}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 23 and name HD% )
ASSI { 418}
(( segid "BBBB" and resid 17 and name HA ))
( segid "BBBB" and resid 76 and name HD% )
3.700 1.700 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 4.135 ppm2 6.880 CV 1
OR { 418}
(( segid "AAAA" and resid 17 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
OR { 418}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 79 and name HN ))
OR { 418}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 79 and name HN ))
OR { 418}
(( segid "BBBB" and resid 86 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 419}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 95 and name HB ))
3.500 1.600 1.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.58481E-03 ppm1 1.311 ppm2 1.760 CV 1
OR { 419}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 95 and name HB ))
OR { 419}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 95 and name HB ))
OR { 419}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 95 and name HB ))
ASSI { 427}
(( segid "AAAA" and resid 47 and name HD1 ))
(( segid "AAAA" and resid 46 and name HA ))
3.600 1.700 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 3.209 ppm2 3.463 CV 1
OR { 427}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 46 and name HA ))
OR { 427}
(( segid "AAAA" and resid 47 and name HD2 ))
(( segid "AAAA" and resid 46 and name HA ))
OR { 427}
(( segid "BBBB" and resid 47 and name HD2 ))
(( segid "BBBB" and resid 46 and name HA ))
ASSI { 437}
(( segid "BBBB" and resid 80 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
3.700 1.700 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 3.256 ppm2 3.738 CV 1
OR { 437}
(( segid "AAAA" and resid 80 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 441}
(( segid "BBBB" and resid 72 and name HA ))
(( segid "BBBB" and resid 32 and name HA ))
3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 4.909 ppm2 5.160 CV 1
OR { 441}
(( segid "AAAA" and resid 72 and name HA ))
(( segid "AAAA" and resid 32 and name HA ))
ASSI { 442}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 51 and name HN ))
2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20868E-02 ppm1 1.791 ppm2 7.102 CV 1
OR { 442}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 51 and name HN ))
ASSI { 445}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 59 and name HN ))
3.600 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 1.205 ppm2 7.933 CV 1
OR { 445}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 59 and name HN ))
OR { 445}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HN ))
OR { 445}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HN ))
OR { 445}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 43 and name HN ))
OR { 445}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 43 and name HN ))
ASSI { 451}
(( segid "BBBB" and resid 47 and name HD2 ))
(( segid "BBBB" and resid 44 and name HA ))
3.400 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.91723E-03 ppm1 3.186 ppm2 4.241 CV 1
OR { 451}
(( segid "AAAA" and resid 47 and name HD2 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 451}
(( segid "AAAA" and resid 47 and name HD1 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 451}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 44 and name HA ))
ASSI { 454}
(( segid "BBBB" and resid 31 and name HA1 ))
(( segid "BBBB" and resid 30 and name HA ))
4.100 2.100 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.65428E-03 ppm1 3.889 ppm2 4.411 CV 1
OR { 454}
(( segid "AAAA" and resid 31 and name HA1 ))
(( segid "AAAA" and resid 30 and name HA ))
OR { 454}
(( segid "BBBB" and resid 31 and name HA2 ))
(( segid "BBBB" and resid 30 and name HA ))
OR { 454}
(( segid "AAAA" and resid 31 and name HA2 ))
(( segid "AAAA" and resid 30 and name HA ))
OR { 454}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 454}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 15 and name HB ))
ASSI { 457}
(( segid "BBBB" and resid 78 and name HD2 ))
(( segid "BBBB" and resid 69 and name HA ))
3.800 1.800 1.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.95123E-03 ppm1 3.162 ppm2 4.329 CV 1
OR { 457}
(( segid "AAAA" and resid 78 and name HD2 ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 457}
(( segid "AAAA" and resid 89 and name HE2 ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 459}
(( segid "BBBB" and resid 23 and name HB2 ))
( segid "BBBB" and resid 20 and name HE% )
3.500 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.20218E-02 ppm1 2.740 ppm2 7.079 CV 1
OR { 459}
(( segid "AAAA" and resid 23 and name HB2 ))
( segid "AAAA" and resid 20 and name HE% )
ASSI { 460}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 13 and name HA ))
3.500 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.10175E-02 ppm1 2.119 ppm2 3.451 CV 1
OR { 460}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 13 and name HA ))
ASSI { 464}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 14 and name HN ))
2.900 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16240E-02 ppm1 2.061 ppm2 8.401 CV 1
OR { 464}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 14 and name HN ))
ASSI { 465}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 7 and name HB ))
3.200 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.17784E-02 ppm1 3.080 ppm2 4.932 CV 1
OR { 465}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 7 and name HB ))
OR { 465}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 7 and name HB ))
OR { 465}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 7 and name HB ))
OR { 465}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
OR { 465}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 34 and name HA ))
ASSI { 469}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
3.600 1.600 1.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 7.323 ppm2 8.501 CV 1
OR { 469}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
OR { 469}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 42 and name HN ))
OR { 469}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 42 and name HN ))
ASSI { 470}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 60 and name HA ))
3.400 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.20390E-02 ppm1 1.205 ppm2 3.328 CV 1
OR { 470}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 470}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 470}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 470}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 56 and name HA ))
OR { 470}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 56 and name HA ))
ASSI { 472}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 70 and name HA ))
3.300 1.400 1.400 peak 472 spectrum 1 weight 0.10000E+01 volume 0.20919E-02 ppm1 2.084 ppm2 4.961 CV 1
OR { 472}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 70 and name HA ))
OR { 472}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 7 and name HB ))
ASSI { 473}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 53 and name HA ))
3.200 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 3.420 ppm2 3.837 CV 1
OR { 473}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 473}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 473}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 473}
(( segid "BBBB" and resid 20 and name HA ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 473}
(( segid "AAAA" and resid 20 and name HA ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 473}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
ASSI { 476}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
3.800 1.800 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.91240E-03 ppm1 3.701 ppm2 4.300 CV 1
OR { 476}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 476}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 476}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 476}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 22 and name HB ))
OR { 476}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 22 and name HB ))
OR { 476}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 476}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 69 and name HA ))
ASSI { 483}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 65 and name HB ))
3.800 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.15691E-02 ppm1 1.194 ppm2 2.199 CV 1
OR { 483}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 65 and name HB ))
OR { 483}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 483}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 484}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 4 and name HG2 ))
3.600 1.600 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 1.311 ppm2 2.182 CV 1
OR { 484}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 484}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 40 and name HB2 ))
OR { 484}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 485}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
4.000 2.000 2.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 1.885 ppm2 3.018 CV 1
OR { 485}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 73 and name HB2 ))
OR { 485}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 77 and name HB2 ))
ASSI { 491}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
4.300 2.300 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.25067E-03 ppm1 3.057 ppm2 3.252 CV 1
OR { 491}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 493}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 77 and name HA ))
3.800 1.800 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 0.760 ppm2 3.738 CV 1
OR { 493}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 494}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
2.800 2.800 3.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.15331E-02 ppm1 2.283 ppm2 2.895 CV 1
OR { 494}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
OR { 494}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
OR { 494}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
OR { 494}
(( segid "AAAA" and resid 8 and name HG2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
ASSI { 497}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 59 and name HN ))
3.200 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 4.123 ppm2 7.945 CV 1
OR { 497}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 59 and name HN ))
OR { 497}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 12 and name HN ))
OR { 497}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 12 and name HN ))
OR { 497}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 87 and name HN ))
OR { 497}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 87 and name HN ))
ASSI { 499}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
3.500 1.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 1.580 ppm2 2.533 CV 1
OR { 499}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 504}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
3.600 3.600 2.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.19828E-02 ppm1 2.729 ppm2 3.247 CV 1
OR { 504}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 506}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 13 and name HA ))
3.400 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.72666E-03 ppm1 1.967 ppm2 3.457 CV 1
OR { 506}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "BBBB" and resid 13 and name HA ))
OR { 506}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 42 and name HA ))
ASSI { 511}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 10 and name HA ))
3.600 1.600 1.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 2.436 ppm2 3.732 CV 1
OR { 511}
(( segid "BBBB" and resid 10 and name HG2 ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 512}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 79 and name HN ))
3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 3.760 ppm2 6.868 CV 1
OR { 512}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 79 and name HN ))
OR { 512}
(( segid "AAAA" and resid 77 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 523}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 37 and name HB2 ))
3.700 3.700 2.300 peak 523 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 1.299 ppm2 2.070 CV 1
OR { 523}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 37 and name HB2 ))
ASSI { 524}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 45 and name HE22))
3.600 3.600 2.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 3.561 ppm2 6.582 CV 1
OR { 524}
(( segid "AAAA" and resid 85 and name HA ))
( segid "AAAA" and resid 20 and name HD% )
OR { 524}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 45 and name HE22))
OR { 524}
(( segid "AAAA" and resid 84 and name HA ))
( segid "AAAA" and resid 20 and name HD% )
OR { 524}
(( segid "AAAA" and resid 84 and name HA ))
( segid "BBBB" and resid 20 and name HD% )
ASSI { 530}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 2 and name HA ))
3.800 1.800 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 3.057 ppm2 4.382 CV 1
OR { 530}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 530}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 530}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 530}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
ASSI { 534}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 39 and name HN ))
2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 1.967 ppm2 8.407 CV 1
OR { 534}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
OR { 534}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 14 and name HN ))
OR { 534}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "BBBB" and resid 14 and name HN ))
OR { 534}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
ASSI { 536}
(( segid "AAAA" and resid 71 and name HB2 ))
( segid "AAAA" and resid 73 and name HE% )
3.400 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.12726E-02 ppm1 2.143 ppm2 7.102 CV 1
OR { 536}
(( segid "BBBB" and resid 71 and name HB2 ))
( segid "BBBB" and resid 73 and name HE% )
OR { 536}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 75 and name HN ))
OR { 536}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 75 and name HN ))
ASSI { 537}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 56 and name HA ))
4.500 2.500 1.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.23576E-03 ppm1 3.115 ppm2 3.311 CV 1
OR { 537}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 56 and name HA ))
OR { 537}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA2 ))
2.800 1.000 1.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.64765E-02 ppm1 3.901 ppm2 3.785 CV 1
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA2 ))
OR { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 544}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 544}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 544}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 544}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 16 and name HA ))
OR { 544}
(( segid "BBBB" and resid 92 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 92 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 544}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 547}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 98 and name HG2 ))
2.100 2.100 3.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.25169E-01 ppm1 1.416 ppm2 1.292 CV 1
OR { 547}
(( segid "BBBB" and resid 93 and name HG ))
(( segid "BBBB" and resid 98 and name HG2 ))
OR { 547}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 547}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 548}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 40 and name HG2 ))
2.200 2.200 3.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16520E-01 ppm1 2.530 ppm2 2.433 CV 1
OR { 548}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 44 and name HG2 ))
ASSI { 550}
(( segid "BBBB" and resid 98 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
2.100 2.100 3.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.38656E-01 ppm1 1.697 ppm2 0.830 CV 1
OR { 550}
(( segid "AAAA" and resid 96 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 550}
(( segid "BBBB" and resid 96 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 98 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 97 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 550}
(( segid "BBBB" and resid 97 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 93 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
ASSI { 551}
(( segid "AAAA" and resid 93 and name HG ))
( segid "AAAA" and resid 95 and name HG2%)
2.300 2.300 3.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.21279E-01 ppm1 1.416 ppm2 0.830 CV 1
OR { 551}
(( segid "BBBB" and resid 93 and name HG ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 552}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 67 and name HB2 ))
2.000 0.500 0.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.22820E-01 ppm1 2.319 ppm2 2.158 CV 1
OR { 552}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 67 and name HB2 ))
OR { 552}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 86 and name HB2 ))
OR { 552}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 555}
(( segid "AAAA" and resid 96 and name HG2 ))
( segid "AAAA" and resid 95 and name HG2%)
2.000 2.000 4.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.42566E-01 ppm1 1.533 ppm2 0.842 CV 1
OR { 555}
(( segid "BBBB" and resid 96 and name HG2 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 563}
(( segid "BBBB" and resid 74 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
2.200 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18574E-01 ppm1 3.994 ppm2 0.871 CV 1
OR { 563}
(( segid "AAAA" and resid 74 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 563}
(( segid "AAAA" and resid 95 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 563}
(( segid "BBBB" and resid 95 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 563}
(( segid "BBBB" and resid 74 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
ASSI { 564}
(( segid "BBBB" and resid 5 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
2.100 0.500 0.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.20367E-01 ppm1 4.088 ppm2 1.193 CV 1
OR { 564}
(( segid "AAAA" and resid 5 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 566}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.000 0.500 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17761E-01 ppm1 4.311 ppm2 0.824 CV 1
OR { 566}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 568}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 58 and name HA ))
2.900 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.33849E-02 ppm1 4.147 ppm2 4.031 CV 1
OR { 568}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 568}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 37 and name HA ))
OR { 568}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 37 and name HA ))
OR { 568}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 61 and name HA ))
OR { 568}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 61 and name HA ))
ASSI { 570}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
2.700 2.700 3.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.94227E-02 ppm1 3.725 ppm2 3.551 CV 1
OR { 570}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 570}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 570}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 570}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 571}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.500 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17379E-01 ppm1 1.440 ppm2 1.251 CV 1
OR { 571}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 571}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 572}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "AAAA" and resid 40 and name HB2 ))
2.100 0.500 0.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.19315E-01 ppm1 3.901 ppm2 2.252 CV 1
OR { 572}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "BBBB" and resid 40 and name HB2 ))
OR { 572}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 17 and name HB ))
OR { 572}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 572}
(( segid "BBBB" and resid 31 and name HA2 ))
(( segid "BBBB" and resid 72 and name HB2 ))
ASSI { 580}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.13476E-01 ppm1 3.830 ppm2 0.830 CV 1
OR { 580}
(( segid "BBBB" and resid 22 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 580}
(( segid "AAAA" and resid 94 and name HA1 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 580}
(( segid "BBBB" and resid 94 and name HA1 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 583}
(( segid "BBBB" and resid 62 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
2.000 0.500 0.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.12868E-01 ppm1 3.983 ppm2 1.263 CV 1
OR { 583}
(( segid "AAAA" and resid 62 and name HB ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 583}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 583}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 584}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 23 and name HE% )
2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.96121E-02 ppm1 7.100 ppm2 7.003 CV 1
OR { 584}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 23 and name HE% )
OR { 584}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 38 and name HD% )
OR { 584}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 38 and name HD% )
OR { 584}
(( segid "BBBB" and resid 36 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 585}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.600 2.600 3.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.11461E-01 ppm1 4.100 ppm2 0.853 CV 1
OR { 585}
(( segid "AAAA" and resid 18 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 585}
(( segid "AAAA" and resid 93 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 585}
(( segid "BBBB" and resid 93 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 586}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
2.400 2.400 3.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.18124E-01 ppm1 4.123 ppm2 1.491 CV 1
OR { 586}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 586}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 586}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 85 and name HG2 ))
OR { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 586}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 586}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 586}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 79 and name HG ))
ASSI { 590}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
2.900 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.54372E-02 ppm1 3.315 ppm2 1.216 CV 1
OR { 590}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 590}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 19 and name HG1 ))
OR { 590}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 591}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 63 and name HG ))
2.000 0.500 0.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.11327E-01 ppm1 4.194 ppm2 1.181 CV 1
OR { 591}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 593}
(( segid "AAAA" and resid 96 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
2.600 2.600 3.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10223E-01 ppm1 4.217 ppm2 0.830 CV 1
OR { 593}
(( segid "BBBB" and resid 96 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 593}
(( segid "AAAA" and resid 97 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
ASSI { 597}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 21 and name HD% )
2.200 0.600 0.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.76212E-02 ppm1 7.100 ppm2 6.704 CV 1
OR { 597}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 21 and name HD% )
OR { 597}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 76 and name HE% )
ASSI { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
3.000 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.48677E-02 ppm1 2.506 ppm2 2.310 CV 1
OR { 606}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 606}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 606}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 606}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 45 and name HG2 ))
ASSI { 608}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HG ))
2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.94027E-02 ppm1 1.369 ppm2 0.988 CV 1
OR { 608}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 611}
(( segid "BBBB" and resid 78 and name HD2 ))
(( segid "BBBB" and resid 68 and name HB2 ))
3.000 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.23060E-02 ppm1 3.209 ppm2 3.100 CV 1
OR { 611}
(( segid "AAAA" and resid 78 and name HD2 ))
(( segid "AAAA" and resid 68 and name HB2 ))
ASSI { 612}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.60133E-02 ppm1 2.002 ppm2 0.982 CV 1
OR { 612}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 614}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 86 and name HN ))
2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.66453E-02 ppm1 7.604 ppm2 7.278 CV 1
OR { 614}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "BBBB" and resid 86 and name HN ))
OR { 614}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 614}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 614}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 615}
(( segid "BBBB" and resid 43 and name HB ))
(( segid "BBBB" and resid 43 and name HA ))
2.800 1.000 1.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.43068E-02 ppm1 4.100 ppm2 3.808 CV 1
OR { 615}
(( segid "AAAA" and resid 43 and name HB ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 615}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 615}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 615}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 22 and name HA ))
OR { 615}
(( segid "AAAA" and resid 18 and name HA ))
(( segid "AAAA" and resid 22 and name HA ))
OR { 615}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
ASSI { 622}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.69324E-02 ppm1 1.873 ppm2 1.304 CV 1
OR { 622}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
ASSI { 624}
( segid "BBBB" and resid 20 and name HE% )
(( segid "BBBB" and resid 38 and name HA ))
2.200 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.84947E-02 ppm1 7.100 ppm2 4.171 CV 1
OR { 624}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 625}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.63364E-02 ppm1 3.971 ppm2 3.252 CV 1
OR { 625}
(( segid "BBBB" and resid 69 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 625}
(( segid "AAAA" and resid 26 and name HA ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 625}
(( segid "BBBB" and resid 26 and name HA ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 627}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
2.600 0.800 0.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.90639E-02 ppm1 2.072 ppm2 1.006 CV 1
OR { 627}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
ASSI { 628}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.500 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.53012E-02 ppm1 4.030 ppm2 3.779 CV 1
OR { 628}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 628}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 628}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 628}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
OR { 628}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 628}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 628}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 628}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "BBBB" and resid 55 and name HB2 ))
OR { 628}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "AAAA" and resid 55 and name HB2 ))
ASSI { 631}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
2.600 2.600 3.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.74317E-02 ppm1 3.549 ppm2 0.994 CV 1
OR { 631}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
OR { 631}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 632}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "BBBB" and resid 13 and name HG11))
2.500 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.87070E-02 ppm1 4.311 ppm2 1.550 CV 1
OR { 632}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "AAAA" and resid 13 and name HG11))
OR { 632}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 85 and name HG2 ))
OR { 632}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 85 and name HG2 ))
OR { 632}
(( segid "BBBB" and resid 69 and name HA ))
(( segid "BBBB" and resid 78 and name HG2 ))
OR { 632}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 636}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HG2 ))
2.700 0.900 0.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.53072E-02 ppm1 1.627 ppm2 1.310 CV 1
OR { 636}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HG2 ))
ASSI { 638}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
2.800 1.000 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.48399E-02 ppm1 4.358 ppm2 4.159 CV 1
OR { 638}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 638}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 638}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 638}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 638}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 62 and name HA ))
ASSI { 643}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
3.700 1.700 1.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.17833E-02 ppm1 4.299 ppm2 4.165 CV 1
OR { 643}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 643}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 25 and name HA1 ))
OR { 643}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 25 and name HA1 ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "AAAA" and resid 9 and name HA ))
ASSI { 644}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
2.600 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.60352E-02 ppm1 7.545 ppm2 3.978 CV 1
OR { 644}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "AAAA" and resid 74 and name HB2 ))
OR { 644}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 62 and name HB ))
OR { 644}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 644}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 644}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 74 and name HB2 ))
OR { 644}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HB2 ))
OR { 644}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HB2 ))
OR { 644}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 644}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 51 and name HA ))
ASSI { 645}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 51 and name HG2 ))
2.500 2.500 3.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.72420E-02 ppm1 7.287 ppm2 1.374 CV 1
OR { 645}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 51 and name HG2 ))
OR { 645}
(( segid "AAAA" and resid 86 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
OR { 645}
(( segid "BBBB" and resid 21 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 648}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
3.600 1.600 1.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.60013E-02 ppm1 1.604 ppm2 1.222 CV 1
OR { 648}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 653}
(( segid "BBBB" and resid 98 and name HB2 ))
(( segid "BBBB" and resid 98 and name HG2 ))
2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.40848E-02 ppm1 1.697 ppm2 1.310 CV 1
OR { 653}
(( segid "AAAA" and resid 98 and name HB2 ))
(( segid "AAAA" and resid 98 and name HG2 ))
OR { 653}
(( segid "BBBB" and resid 97 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
OR { 653}
(( segid "AAAA" and resid 97 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
OR { 653}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 654}
(( segid "AAAA" and resid 4 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.500 2.500 3.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.54514E-02 ppm1 1.779 ppm2 1.234 CV 1
OR { 654}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 654}
(( segid "AAAA" and resid 4 and name HB2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 654}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 656}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 43 and name HG1 ))
2.800 2.800 3.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.32995E-02 ppm1 4.299 ppm2 1.111 CV 1
OR { 656}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
2.300 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.65161E-02 ppm1 3.948 ppm2 1.485 CV 1
OR { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 661}
(( segid "AAAA" and resid 79 and name HA ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 661}
(( segid "BBBB" and resid 79 and name HA ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 664}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 14 and name HG2 ))
2.900 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.41232E-02 ppm1 4.123 ppm2 2.439 CV 1
OR { 664}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
OR { 664}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 10 and name HG2 ))
OR { 664}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 10 and name HG2 ))
OR { 664}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 10 and name HG2 ))
OR { 664}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 10 and name HG2 ))
ASSI { 678}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 23 and name HD% )
2.600 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.38269E-02 ppm1 7.077 ppm2 6.857 CV 1
OR { 678}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 23 and name HD% )
OR { 678}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 76 and name HD% )
OR { 678}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 76 and name HD% )
ASSI { 686}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 60 and name HG2 ))
3.000 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.47052E-02 ppm1 4.264 ppm2 2.205 CV 1
OR { 686}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 689}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
2.000 0.500 0.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.65570E-02 ppm1 4.182 ppm2 0.994 CV 1
OR { 689}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 690}
(( segid "AAAA" and resid 61 and name HD2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
3.400 1.400 1.400 peak 690 spectrum 1 weight 0.10000E+01 volume 0.33334E-02 ppm1 1.674 ppm2 1.216 CV 1
OR { 690}
(( segid "BBBB" and resid 61 and name HD2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 690}
(( segid "AAAA" and resid 63 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 690}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 19 and name HG1 ))
OR { 690}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 700}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.600 0.900 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.60114E-02 ppm1 4.299 ppm2 2.509 CV 1
OR { 700}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 701}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "AAAA" and resid 54 and name HA2 ))
3.300 3.300 2.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.23202E-02 ppm1 4.030 ppm2 3.697 CV 1
OR { 701}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "BBBB" and resid 54 and name HA2 ))
OR { 701}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 701}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 701}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 701}
(( segid "AAAA" and resid 95 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 706}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 78 and name HA ))
2.600 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.37878E-02 ppm1 7.241 ppm2 3.990 CV 1
OR { 706}
(( segid "AAAA" and resid 77 and name HD1 ))
(( segid "AAAA" and resid 78 and name HA ))
OR { 706}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
OR { 706}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 707}
(( segid "AAAA" and resid 73 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
2.900 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.44072E-02 ppm1 3.010 ppm2 1.333 CV 1
OR { 707}
(( segid "BBBB" and resid 73 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 717}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 50 and name HG ))
2.700 2.700 3.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.43605E-02 ppm1 2.752 ppm2 1.468 CV 1
OR { 717}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 717}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 717}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 717}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 50 and name HG ))
ASSI { 719}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 19 and name HG1 ))
2.900 1.100 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.41264E-02 ppm1 8.635 ppm2 1.257 CV 1
OR { 719}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
OR { 719}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
ASSI { 720}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 97 and name HD2 ))
3.100 1.200 1.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.26678E-02 ppm1 1.873 ppm2 1.585 CV 1
OR { 720}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 97 and name HD2 ))
ASSI { 724}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 59 and name HG2 ))
3.700 1.700 1.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.26387E-02 ppm1 8.518 ppm2 1.193 CV 1
OR { 724}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 730}
(( segid "BBBB" and resid 94 and name HA1 ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.500 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.58354E-02 ppm1 3.807 ppm2 2.855 CV 1
OR { 730}
(( segid "AAAA" and resid 94 and name HA1 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 730}
(( segid "AAAA" and resid 94 and name HA2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 732}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "AAAA" and resid 74 and name HA ))
3.500 1.500 1.500 peak 732 spectrum 1 weight 0.10000E+01 volume 0.14332E-02 ppm1 4.369 ppm2 4.036 CV 1
OR { 732}
(( segid "BBBB" and resid 75 and name HA ))
(( segid "BBBB" and resid 74 and name HA ))
OR { 732}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 89 and name HA ))
OR { 732}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 732}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 732}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
OR { 732}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 43 and name HB ))
OR { 732}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 732}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 732}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "BBBB" and resid 95 and name HA ))
ASSI { 733}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
3.200 3.200 2.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.34954E-02 ppm1 3.315 ppm2 1.011 CV 1
OR { 733}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 733}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
OR { 733}
(( segid "BBBB" and resid 21 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
OR { 733}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 735}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 75 and name HA ))
2.800 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.27641E-02 ppm1 7.604 ppm2 4.376 CV 1
OR { 735}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 75 and name HA ))
OR { 735}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "BBBB" and resid 6 and name HA ))
ASSI { 738}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
3.200 1.300 1.300 peak 738 spectrum 1 weight 0.10000E+01 volume 0.21643E-02 ppm1 4.299 ppm2 3.697 CV 1
OR { 738}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 24 and name HA ))
OR { 738}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 738}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 738}
(( segid "BBBB" and resid 69 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 738}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 738}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 54 and name HA2 ))
OR { 738}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 54 and name HA2 ))
ASSI { 739}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
3.100 3.100 2.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.41927E-02 ppm1 2.072 ppm2 1.292 CV 1
OR { 739}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 739}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 740}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 13 and name HB ))
3.500 3.500 2.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.75525E-03 ppm1 2.096 ppm2 1.977 CV 1
OR { 740}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 13 and name HB ))
OR { 740}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 33 and name HB2 ))
OR { 740}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 10 and name HB2 ))
OR { 740}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 33 and name HB2 ))
ASSI { 746}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
3.500 1.600 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.23993E-02 ppm1 4.487 ppm2 1.433 CV 1
OR { 746}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 746}
(( segid "AAAA" and resid 48 and name HA ))
(( segid "AAAA" and resid 49 and name HG ))
ASSI { 749}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 34 and name HB2 ))
3.400 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 3.666 ppm2 3.416 CV 1
OR { 749}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 34 and name HB2 ))
ASSI { 750}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.30160E-02 ppm1 8.471 ppm2 1.140 CV 1
OR { 750}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 750}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 751}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
3.300 3.300 2.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.22960E-02 ppm1 8.565 ppm2 1.158 CV 1
OR { 751}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
OR { 751}
(( segid "AAAA" and resid 54 and name HN ))
( segid "BBBB" and resid 5 and name HG2%)
OR { 751}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 752}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 86 and name HB2 ))
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.41009E-02 ppm1 4.088 ppm2 2.135 CV 1
OR { 752}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 86 and name HB2 ))
ASSI { 754}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 85 and name HB2 ))
2.600 0.800 0.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.30087E-02 ppm1 3.022 ppm2 1.714 CV 1
OR { 754}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 85 and name HB2 ))
ASSI { 755}
(( segid "BBBB" and resid 25 and name HA1 ))
(( segid "BBBB" and resid 25 and name HA2 ))
2.900 2.900 3.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 4.158 ppm2 3.890 CV 1
OR { 755}
(( segid "AAAA" and resid 25 and name HA1 ))
(( segid "AAAA" and resid 25 and name HA2 ))
ASSI { 769}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
3.500 1.600 1.600 peak 769 spectrum 1 weight 0.10000E+01 volume 0.14958E-02 ppm1 2.002 ppm2 1.099 CV 1
OR { 769}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 771}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 44 and name HB2 ))
3.300 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.27534E-02 ppm1 3.819 ppm2 2.345 CV 1
OR { 771}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 771}
(( segid "AAAA" and resid 82 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 771}
(( segid "BBBB" and resid 82 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 771}
(( segid "BBBB" and resid 16 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 771}
(( segid "AAAA" and resid 16 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 773}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 43 and name HG1 ))
3.500 3.500 2.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.32945E-02 ppm1 7.018 ppm2 1.111 CV 1
OR { 773}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 774}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 39 and name HG2 ))
5.100 3.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.35992E-02 ppm1 7.100 ppm2 1.286 CV 1
OR { 774}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 776}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
2.500 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.45908E-02 ppm1 2.307 ppm2 1.474 CV 1
OR { 776}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 779}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.43279E-02 ppm1 3.338 ppm2 3.089 CV 1
OR { 779}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
OR { 779}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 779}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 51 and name HE2 ))
ASSI { 781}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
2.700 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.36700E-02 ppm1 3.819 ppm2 1.439 CV 1
OR { 781}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 781}
(( segid "AAAA" and resid 16 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 781}
(( segid "BBBB" and resid 16 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 781}
(( segid "BBBB" and resid 53 and name HA ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 781}
(( segid "AAAA" and resid 53 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 781}
(( segid "AAAA" and resid 81 and name HA1 ))
(( segid "AAAA" and resid 80 and name HB ))
ASSI { 785}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
2.900 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.43415E-02 ppm1 2.061 ppm2 1.497 CV 1
OR { 785}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 785}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 785}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 85 and name HG2 ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 85 and name HG2 ))
OR { 785}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 88 and name HB2 ))
ASSI { 792}
( segid "AAAA" and resid 21 and name HE% )
(( segid "BBBB" and resid 9 and name HG ))
2.800 1.000 1.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.39216E-02 ppm1 7.077 ppm2 1.439 CV 1
OR { 792}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 792}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 792}
( segid "BBBB" and resid 21 and name HE% )
(( segid "AAAA" and resid 9 and name HG ))
OR { 792}
( segid "BBBB" and resid 73 and name HE% )
(( segid "BBBB" and resid 71 and name HG ))
OR { 792}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 71 and name HG ))
OR { 792}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 795}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 2.307 ppm2 1.216 CV 1
OR { 795}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 795}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 795}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 796}
( segid "BBBB" and resid 20 and name HE% )
(( segid "BBBB" and resid 41 and name HG ))
2.800 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.23981E-02 ppm1 7.100 ppm2 0.988 CV 1
OR { 796}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 802}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.700 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.17026E-02 ppm1 3.971 ppm2 2.515 CV 1
OR { 802}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 802}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
OR { 802}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 809}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 22 and name HA ))
3.300 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.12082E-02 ppm1 4.311 ppm2 3.820 CV 1
OR { 809}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HA ))
ASSI { 810}
(( segid "BBBB" and resid 98 and name HE2 ))
(( segid "BBBB" and resid 98 and name HD2 ))
3.200 1.300 1.300 peak 810 spectrum 1 weight 0.10000E+01 volume 0.20725E-02 ppm1 3.162 ppm2 1.602 CV 1
OR { 810}
(( segid "AAAA" and resid 98 and name HE2 ))
(( segid "AAAA" and resid 98 and name HD2 ))
OR { 810}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 97 and name HD2 ))
OR { 810}
(( segid "AAAA" and resid 97 and name HE2 ))
(( segid "AAAA" and resid 97 and name HD2 ))
ASSI { 813}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
2.900 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.24008E-02 ppm1 7.545 ppm2 4.311 CV 1
OR { 813}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 813}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 813}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
ASSI { 818}
(( segid "AAAA" and resid 93 and name HA ))
(( segid "AAAA" and resid 93 and name HG ))
2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 4.053 ppm2 1.427 CV 1
OR { 818}
(( segid "BBBB" and resid 93 and name HA ))
(( segid "BBBB" and resid 93 and name HG ))
OR { 818}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
ASSI { 822}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
2.800 1.000 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.30604E-02 ppm1 3.994 ppm2 1.585 CV 1
OR { 822}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
OR { 822}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "BBBB" and resid 41 and name HB2 ))
OR { 822}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 825}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
2.800 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 7.018 ppm2 1.000 CV 1
OR { 825}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
OR { 825}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 828}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
3.100 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.32146E-02 ppm1 9.268 ppm2 1.497 CV 1
OR { 828}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 828}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 828}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 828}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 830}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
2.600 0.900 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.33060E-02 ppm1 8.237 ppm2 2.264 CV 1
OR { 830}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
OR { 830}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 72 and name HB2 ))
ASSI { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 80 and name HB ))
3.400 1.500 1.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 1.932 ppm2 1.439 CV 1
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 837}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 837}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 837}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 80 and name HB ))
ASSI { 843}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
2.500 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.43850E-02 ppm1 7.944 ppm2 4.118 CV 1
OR { 843}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 843}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 843}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 843}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 843}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 845}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.29406E-02 ppm1 8.237 ppm2 4.171 CV 1
OR { 845}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 845}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 845}
(( segid "BBBB" and resid 97 and name HN ))
(( segid "BBBB" and resid 97 and name HA ))
ASSI { 846}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
3.300 1.400 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 3.315 ppm2 1.433 CV 1
OR { 846}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 846}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 49 and name HG ))
OR { 846}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 49 and name HG ))
OR { 846}
(( segid "BBBB" and resid 72 and name HD2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 846}
(( segid "AAAA" and resid 72 and name HD2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 846}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 846}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 846}
(( segid "BBBB" and resid 21 and name HB2 ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 848}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
3.100 3.100 2.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.26366E-02 ppm1 8.495 ppm2 1.433 CV 1
OR { 848}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 848}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 855}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 36 and name HB2 ))
3.000 1.100 1.100 peak 855 spectrum 1 weight 0.10000E+01 volume 0.31545E-02 ppm1 4.065 ppm2 2.890 CV 1
OR { 855}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 36 and name HB2 ))
OR { 855}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 64 and name HB2 ))
ASSI { 858}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
3.400 1.500 1.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.24864E-02 ppm1 7.944 ppm2 1.491 CV 1
OR { 858}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
ASSI { 864}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 41 and name HG ))
3.000 3.000 3.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.26834E-02 ppm1 2.530 ppm2 0.994 CV 1
ASSI { 870}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
3.100 1.200 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.28701E-02 ppm1 3.057 ppm2 1.439 CV 1
OR { 870}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 874}
(( segid "BBBB" and resid 30 and name HA ))
(( segid "BBBB" and resid 31 and name HA1 ))
3.600 1.600 1.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13763E-02 ppm1 4.405 ppm2 3.890 CV 1
OR { 874}
(( segid "AAAA" and resid 30 and name HA ))
(( segid "AAAA" and resid 31 and name HA1 ))
OR { 874}
(( segid "BBBB" and resid 30 and name HA ))
(( segid "BBBB" and resid 31 and name HA2 ))
OR { 874}
(( segid "AAAA" and resid 30 and name HA ))
(( segid "AAAA" and resid 31 and name HA2 ))
OR { 874}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 14 and name HA ))
OR { 874}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 14 and name HA ))
ASSI { 881}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
3.400 3.400 2.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.79254E-03 ppm1 3.069 ppm2 2.884 CV 1
OR { 881}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 881}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
OR { 881}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
OR { 881}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
ASSI { 887}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.26514E-02 ppm1 7.299 ppm2 2.340 CV 1
OR { 887}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 888}
( segid "BBBB" and resid 21 and name HE% )
(( segid "AAAA" and resid 84 and name HA ))
3.300 3.300 2.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.23947E-02 ppm1 7.100 ppm2 3.545 CV 1
OR { 888}
( segid "AAAA" and resid 21 and name HE% )
(( segid "BBBB" and resid 84 and name HA ))
OR { 888}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 85 and name HA ))
OR { 888}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 84 and name HA ))
OR { 888}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 84 and name HA ))
OR { 888}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 85 and name HA ))
OR { 888}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 894}
(( segid "BBBB" and resid 73 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
3.000 3.000 3.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.52122E-02 ppm1 9.526 ppm2 0.865 CV 1
OR { 894}
(( segid "AAAA" and resid 73 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 896}
( segid "BBBB" and resid 73 and name HD% )
(( segid "BBBB" and resid 73 and name HB2 ))
2.900 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.20794E-02 ppm1 6.573 ppm2 3.024 CV 1
OR { 896}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 20 and name HB2 ))
OR { 896}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 20 and name HB2 ))
OR { 896}
( segid "AAAA" and resid 73 and name HD% )
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 901}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 9 and name HA ))
2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.27214E-02 ppm1 8.635 ppm2 4.159 CV 1
OR { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 901}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 901}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 901}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 907}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HA ))
2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.27616E-02 ppm1 8.401 ppm2 4.130 CV 1
OR { 907}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 907}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 907}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 907}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
ASSI { 910}
(( segid "BBBB" and resid 7 and name HB ))
(( segid "BBBB" and resid 7 and name HA ))
3.100 1.200 1.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 4.920 ppm2 4.487 CV 1
OR { 910}
(( segid "AAAA" and resid 7 and name HB ))
(( segid "AAAA" and resid 7 and name HA ))
ASSI { 911}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 15 and name HG1 ))
3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.69064E-03 ppm1 4.381 ppm2 1.181 CV 1
OR { 911}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 911}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 911}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HG1 ))
OR { 911}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 911}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "BBBB" and resid 15 and name HG1 ))
OR { 911}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HG1 ))
ASSI { 912}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
3.700 1.700 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 4.358 ppm2 1.210 CV 1
OR { 912}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 912}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 912}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
ASSI { 914}
(( segid "AAAA" and resid 65 and name HB ))
(( segid "AAAA" and resid 62 and name HG1 ))
3.900 1.900 1.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.89854E-03 ppm1 2.190 ppm2 1.216 CV 1
OR { 914}
(( segid "BBBB" and resid 65 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 930}
( segid "AAAA" and resid 76 and name HE% )
(( segid "AAAA" and resid 71 and name HG ))
3.400 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.22911E-02 ppm1 6.702 ppm2 1.444 CV 1
OR { 930}
( segid "BBBB" and resid 76 and name HE% )
(( segid "BBBB" and resid 71 and name HG ))
OR { 930}
( segid "AAAA" and resid 21 and name HD% )
(( segid "BBBB" and resid 9 and name HG ))
OR { 930}
( segid "BBBB" and resid 21 and name HD% )
(( segid "AAAA" and resid 9 and name HG ))
OR { 930}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 83 and name HG ))
OR { 930}
( segid "BBBB" and resid 21 and name HD% )
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 932}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 88 and name HB2 ))
3.000 1.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.15261E-02 ppm1 3.537 ppm2 1.450 CV 1
OR { 932}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 932}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HB ))
ASSI { 946}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
3.300 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.16980E-02 ppm1 7.311 ppm2 4.276 CV 1
OR { 946}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 946}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 946}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 19 and name HA ))
OR { 946}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 946}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
OR { 946}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 947}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
3.700 1.700 1.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.82554E-03 ppm1 8.553 ppm2 8.430 CV 1
OR { 947}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
OR { 947}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 52 and name HN ))
ASSI { 948}
(( segid "BBBB" and resid 23 and name HA ))
(( segid "BBBB" and resid 23 and name HB2 ))
2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.17686E-02 ppm1 3.971 ppm2 2.761 CV 1
OR { 948}
(( segid "AAAA" and resid 23 and name HA ))
(( segid "AAAA" and resid 23 and name HB2 ))
ASSI { 951}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.11528E-02 ppm1 3.326 ppm2 2.521 CV 1
OR { 951}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 951}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 951}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 955}
(( segid "BBBB" and resid 77 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
3.600 1.600 1.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.15416E-02 ppm1 3.737 ppm2 0.766 CV 1
OR { 955}
(( segid "AAAA" and resid 77 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 956}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 51 and name HE2 ))
3.200 3.200 2.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 3.467 ppm2 3.100 CV 1
OR { 956}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 51 and name HE2 ))
OR { 956}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 956}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
OR { 956}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 956}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 961}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
4.300 2.300 1.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.92975E-03 ppm1 3.315 ppm2 1.286 CV 1
OR { 961}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 967}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
3.600 1.600 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.16745E-02 ppm1 3.549 ppm2 1.573 CV 1
OR { 967}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 967}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 967}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
ASSI { 968}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "BBBB" and resid 90 and name HA ))
3.100 1.200 1.200 peak 968 spectrum 1 weight 0.10000E+01 volume 0.21962E-02 ppm1 8.084 ppm2 4.007 CV 1
OR { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "BBBB" and resid 74 and name HA ))
ASSI { 970}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
3.600 1.600 1.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 6.866 ppm2 1.006 CV 1
OR { 970}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 974}
(( segid "BBBB" and resid 96 and name HA ))
(( segid "BBBB" and resid 96 and name HD2 ))
3.200 1.300 1.300 peak 974 spectrum 1 weight 0.10000E+01 volume 0.14956E-02 ppm1 4.241 ppm2 3.106 CV 1
OR { 974}
(( segid "AAAA" and resid 96 and name HA ))
(( segid "AAAA" and resid 96 and name HD2 ))
ASSI { 976}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.66361E-03 ppm1 4.018 ppm2 3.551 CV 1
OR { 976}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 976}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 981}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
3.700 1.700 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 6.573 ppm2 1.000 CV 1
OR { 981}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 993}
(( segid "BBBB" and resid 47 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
4.000 2.000 2.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 4.194 ppm2 3.323 CV 1
OR { 993}
(( segid "AAAA" and resid 47 and name HA ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 993}
(( segid "AAAA" and resid 49 and name HA ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 993}
(( segid "BBBB" and resid 49 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 993}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 60 and name HA ))
ASSI { 994}
(( segid "AAAA" and resid 96 and name HA ))
(( segid "AAAA" and resid 96 and name HB2 ))
3.400 1.400 1.400 peak 994 spectrum 1 weight 0.10000E+01 volume 0.76406E-03 ppm1 4.252 ppm2 1.731 CV 1
OR { 994}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 60 and name HB2 ))
OR { 994}
(( segid "BBBB" and resid 96 and name HA ))
(( segid "BBBB" and resid 96 and name HB2 ))
OR { 994}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 60 and name HB2 ))
ASSI { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.10847E-02 ppm1 4.088 ppm2 3.545 CV 1
OR { 995}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 995}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 1002}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 90 and name HB2 ))
4.100 2.100 1.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.21062E-03 ppm1 2.260 ppm2 2.088 CV 1
OR { 1002}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 90 and name HB2 ))
OR { 1002}
(( segid "AAAA" and resid 8 and name HG2 ))
(( segid "AAAA" and resid 8 and name HB2 ))
OR { 1002}
(( segid "BBBB" and resid 8 and name HG2 ))
(( segid "BBBB" and resid 8 and name HB2 ))
ASSI { 1007}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
4.400 2.400 1.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.96671E-03 ppm1 2.530 ppm2 1.205 CV 1
OR { 1007}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 1007}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 63 and name HG ))
ASSI { 1010}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
3.600 1.600 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 4.358 ppm2 0.994 CV 1
OR { 1010}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 1010}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 1012}
(( segid "BBBB" and resid 69 and name HA ))
(( segid "BBBB" and resid 78 and name HD2 ))
4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.75698E-03 ppm1 4.323 ppm2 3.170 CV 1
OR { 1012}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 78 and name HD2 ))
OR { 1012}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 89 and name HE2 ))
ASSI { 1016}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 30 and name HB2 ))
4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.62270E-03 ppm1 2.295 ppm2 1.889 CV 1
OR { 1016}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 30 and name HB2 ))
OR { 1016}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 87 and name HB ))
OR { 1016}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 87 and name HB ))
OR { 1016}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 87 and name HB ))
OR { 1016}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 59 and name HB2 ))
OR { 1016}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 59 and name HB2 ))
ASSI { 1017}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 40 and name HA ))
3.200 1.300 1.300 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.17943E-02 ppm1 7.909 ppm2 3.978 CV 1
OR { 1017}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 40 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 5 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
ASSI { 1020}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
3.900 1.900 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.93035E-03 ppm1 8.670 ppm2 3.697 CV 1
OR { 1020}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 1020}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 1020}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 1022}
(( segid "BBBB" and resid 51 and name HN ))
(( segid "BBBB" and resid 48 and name HB2 ))
3.800 1.800 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.11697E-02 ppm1 7.100 ppm2 3.328 CV 1
OR { 1022}
(( segid "AAAA" and resid 51 and name HN ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 1022}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 1024}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 80 and name HA ))
3.700 1.700 1.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.54850E-03 ppm1 3.561 ppm2 3.252 CV 1
OR { 1024}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HA ))
ASSI { 1032}
(( segid "AAAA" and resid 32 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
3.200 1.300 1.300 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.94304E-03 ppm1 5.155 ppm2 3.674 CV 1
OR { 1032}
(( segid "BBBB" and resid 32 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 1034}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 75 and name HB2 ))
2.600 2.600 3.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 7.100 ppm2 2.275 CV 1
OR { 1034}
( segid "BBBB" and resid 73 and name HE% )
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 1034}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 1034}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 1035}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 38 and name HB2 ))
2.900 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 7.018 ppm2 3.089 CV 1
OR { 1035}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 38 and name HB2 ))
OR { 1035}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 1035}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
OR { 1035}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 20 and name HB2 ))
ASSI { 1044}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
3.300 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.29050E-02 ppm1 3.069 ppm2 0.994 CV 1
OR { 1044}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 1049}
(( segid "AAAA" and resid 44 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.67050E-03 ppm1 4.241 ppm2 3.176 CV 1
OR { 1049}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 1049}
(( segid "AAAA" and resid 44 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 1049}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 47 and name HD1 ))
ASSI { 1055}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.11537E-02 ppm1 7.241 ppm2 4.317 CV 1
OR { 1055}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 1055}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 69 and name HA ))
ASSI { 1059}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HG2 ))
2.900 1.000 1.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.20846E-02 ppm1 7.920 ppm2 2.316 CV 1
OR { 1059}
(( segid "BBBB" and resid 67 and name HE21))
(( segid "BBBB" and resid 67 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 1059}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 1061}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 45 and name HG2 ))
3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 3.467 ppm2 2.293 CV 1
OR { 1061}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 1061}
(( segid "AAAA" and resid 13 and name HA ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 1061}
(( segid "BBBB" and resid 13 and name HA ))
(( segid "BBBB" and resid 17 and name HB ))
ASSI { 1065}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
2.900 1.000 1.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.14301E-02 ppm1 8.635 ppm2 8.243 CV 1
OR { 1065}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 17 and name HN ))
!run15 noe table
ASSI { 261}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 25 and name HA2 ))
2.900 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.43754E-02 ppm1 7.462 ppm2 3.853 CV 1
OR { 261}
(( segid "BBBB" and resid 25 and name HN ))
(( segid "BBBB" and resid 25 and name HA2 ))
ASSI { 264}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
3.600 1.700 1.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 7.462 ppm2 2.020 CV 1
OR { 264}
(( segid "BBBB" and resid 25 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 283}
(( segid "BBBB" and resid 25 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.59763E-02 ppm1 7.462 ppm2 8.447 CV 1
OR { 283}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
ASSI { 295}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 30 and name HA ))
3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.89846E-03 ppm1 8.276 ppm2 4.372 CV 1
OR { 295}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 30 and name HA ))
ASSI { 299}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
4.000 2.100 2.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.13354E-02 ppm1 8.290 ppm2 3.005 CV 1
OR { 299}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 301}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.38204E-02 ppm1 8.269 ppm2 1.719 CV 1
OR { 301}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
ASSI { 308}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 32 and name HN ))
2.300 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.60812E-02 ppm1 8.276 ppm2 7.025 CV 1
OR { 308}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 32 and name HN ))
ASSI { 449}
(( segid "AAAA" and resid 94 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
3.200 1.300 1.300 peak 449 spectrum 1 weight 0.10000E+01 volume 0.44429E-02 ppm1 7.839 ppm2 0.817 CV 1
OR { 449}
(( segid "BBBB" and resid 94 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 453}
(( segid "BBBB" and resid 94 and name HN ))
(( segid "BBBB" and resid 93 and name HB2 ))
2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.79486E-02 ppm1 7.839 ppm2 1.665 CV 1
OR { 453}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
ASSI { 456}
(( segid "BBBB" and resid 94 and name HN ))
(( segid "BBBB" and resid 93 and name HN ))
2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26679E-02 ppm1 7.839 ppm2 7.517 CV 1
OR { 456}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HN ))
ASSI { 459}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HG ))
2.600 2.600 3.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.68229E-02 ppm1 7.839 ppm2 1.391 CV 1
OR { 459}
(( segid "BBBB" and resid 94 and name HN ))
(( segid "BBBB" and resid 93 and name HG ))
ASSI { 526}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
3.000 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.36637E-02 ppm1 7.066 ppm2 3.661 CV 1
OR { 526}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 528}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 31 and name HN ))
2.300 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.62099E-02 ppm1 7.066 ppm2 8.256 CV 1
OR { 528}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 31 and name HN ))
ASSI { 533}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 68 and name HA ))
3.900 3.900 2.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.12374E-02 ppm1 7.045 ppm2 4.837 CV 1
OR { 533}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 68 and name HA ))
ASSI { 535}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 33 and name HB2 ))
3.200 3.200 2.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 7.066 ppm2 1.993 CV 1
OR { 535}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 33 and name HB2 ))
OR { 535}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
ASSI { 543}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 32 and name HA ))
2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.33296E-02 ppm1 7.066 ppm2 5.138 CV 1
OR { 543}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 32 and name HA ))
ASSI { 545}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 30 and name HA ))
3.300 3.300 2.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.59827E-02 ppm1 7.066 ppm2 4.372 CV 1
OR { 545}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 30 and name HA ))
OR { 545}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 555}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 7.073 ppm2 1.747 CV 1
OR { 555}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
ASSI { 612}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HB ))
2.700 0.900 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.64626E-02 ppm1 7.921 ppm2 4.071 CV 1
OR { 612}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HB ))
ASSI { 623}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HB2 ))
3.300 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.25907E-02 ppm1 7.921 ppm2 2.321 CV 1
OR { 623}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 623}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 623}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
ASSI { 624}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HN ))
2.100 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.85985E-02 ppm1 7.927 ppm2 8.447 CV 1
OR { 624}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 44 and name HN ))
ASSI { 628}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HA ))
2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.58805E-02 ppm1 7.927 ppm2 3.798 CV 1
OR { 628}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HA ))
ASSI { 633}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.45507E-02 ppm1 7.927 ppm2 3.470 CV 1
OR { 633}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 651}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 47 and name HD2 ))
3.900 1.900 1.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 7.893 ppm2 3.224 CV 1
OR { 651}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 651}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 651}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 47 and name HD1 ))
ASSI { 657}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "AAAA" and resid 1 and name HB2 ))
3.300 1.400 1.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.44106E-02 ppm1 7.914 ppm2 1.993 CV 1
OR { 657}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "BBBB" and resid 1 and name HB2 ))
ASSI { 714}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
2.200 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.76756E-02 ppm1 7.797 ppm2 7.162 CV 1
OR { 714}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HN ))
ASSI { 715}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HG2 ))
3.400 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 7.797 ppm2 1.391 CV 1
OR { 715}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HG2 ))
ASSI { 718}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HN ))
2.100 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.92190E-02 ppm1 7.797 ppm2 7.517 CV 1
OR { 718}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 63 and name HN ))
ASSI { 719}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HB2 ))
1.900 0.500 0.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10864E-01 ppm1 7.797 ppm2 1.911 CV 1
OR { 719}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HB2 ))
ASSI { 723}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
2.800 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.23419E-02 ppm1 7.797 ppm2 3.962 CV 1
OR { 723}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HB ))
ASSI { 725}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HB2 ))
2.900 2.900 3.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.52056E-02 ppm1 7.804 ppm2 1.665 CV 1
OR { 725}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 63 and name HB2 ))
OR { 725}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HD2 ))
ASSI { 728}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HA ))
3.000 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.15499E-02 ppm1 7.797 ppm2 4.181 CV 1
OR { 728}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HA ))
ASSI { 730}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.000 0.500 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10030E-01 ppm1 7.797 ppm2 1.227 CV 1
OR { 730}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 742}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 75 and name HN ))
3.700 3.700 2.300 peak 742 spectrum 1 weight 0.10000E+01 volume 0.16441E-02 ppm1 6.847 ppm2 7.107 CV 1
OR { 742}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 75 and name HN ))
OR { 742}
(( segid "AAAA" and resid 67 and name HE22))
( segid "AAAA" and resid 73 and name HE% )
ASSI { 754}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HG2 ))
2.100 0.600 0.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.49954E-02 ppm1 7.866 ppm2 2.294 CV 1
OR { 754}
(( segid "BBBB" and resid 67 and name HE21))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 764}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HG2 ))
3.400 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.29547E-02 ppm1 6.840 ppm2 2.294 CV 1
OR { 764}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 770}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HB2 ))
3.900 1.900 1.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.28043E-02 ppm1 6.833 ppm2 2.184 CV 1
OR { 770}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 67 and name HB2 ))
ASSI { 772}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
3.600 1.600 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.23122E-02 ppm1 8.679 ppm2 2.102 CV 1
OR { 772}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 777}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
3.300 3.300 2.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.31174E-02 ppm1 8.550 ppm2 3.771 CV 1
OR { 777}
(( segid "AAAA" and resid 54 and name HN ))
(( segid "AAAA" and resid 55 and name HB2 ))
ASSI { 780}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "AAAA" and resid 4 and name HB2 ))
3.300 1.400 1.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 8.550 ppm2 1.774 CV 1
OR { 780}
(( segid "AAAA" and resid 54 and name HN ))
(( segid "BBBB" and resid 4 and name HB2 ))
ASSI { 781}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 53 and name HB ))
3.200 1.300 1.300 peak 781 spectrum 1 weight 0.10000E+01 volume 0.32060E-02 ppm1 8.550 ppm2 2.075 CV 1
OR { 781}
(( segid "AAAA" and resid 54 and name HN ))
(( segid "AAAA" and resid 53 and name HB ))
ASSI { 783}
(( segid "AAAA" and resid 54 and name HN ))
(( segid "AAAA" and resid 54 and name HA1 ))
4.100 2.100 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.19262E-03 ppm1 8.550 ppm2 3.962 CV 1
OR { 783}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 54 and name HA1 ))
ASSI { 786}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HA ))
4.200 2.200 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.11864E-02 ppm1 6.840 ppm2 3.962 CV 1
OR { 786}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 788}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "AAAA" and resid 86 and name HA ))
3.500 1.500 1.500 peak 788 spectrum 1 weight 0.10000E+01 volume 0.18588E-02 ppm1 8.700 ppm2 4.099 CV 1
OR { 788}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 788}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 793}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 6 and name HB2 ))
2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.68384E-02 ppm1 8.693 ppm2 1.665 CV 1
OR { 793}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 6 and name HB2 ))
OR { 793}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 9 and name HB2 ))
ASSI { 794}
(( segid "BBBB" and resid 7 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
2.800 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.72230E-02 ppm1 8.693 ppm2 1.391 CV 1
OR { 794}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 800}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 6 and name HA ))
2.100 0.600 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.75664E-02 ppm1 8.686 ppm2 4.372 CV 1
OR { 800}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 6 and name HA ))
ASSI { 810}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
3.600 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.21941E-02 ppm1 8.666 ppm2 3.743 CV 1
OR { 810}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 817}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HB2 ))
3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.33124E-02 ppm1 8.303 ppm2 1.665 CV 1
OR { 817}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HB2 ))
ASSI { 821}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HB2 ))
2.600 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.44239E-02 ppm1 8.303 ppm2 1.856 CV 1
OR { 821}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HB2 ))
ASSI { 822}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
3.500 1.600 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18583E-02 ppm1 8.303 ppm2 3.442 CV 1
OR { 822}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
ASSI { 824}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 43 and name HN ))
3.400 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.13392E-02 ppm1 8.331 ppm2 7.955 CV 1
OR { 824}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 43 and name HN ))
ASSI { 826}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
2.100 0.500 0.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.91230E-02 ppm1 8.303 ppm2 7.298 CV 1
OR { 826}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
ASSI { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
3.000 1.100 1.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.33204E-02 ppm1 8.310 ppm2 4.263 CV 1
OR { 828}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 41 and name HA ))
OR { 828}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 41 and name HA ))
ASSI { 830}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
1.900 0.500 0.500 peak 830 spectrum 1 weight 0.10000E+01 volume 0.78519E-02 ppm1 8.303 ppm2 2.294 CV 1
OR { 830}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
ASSI { 836}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.200 3.200 2.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.40724E-02 ppm1 8.303 ppm2 2.540 CV 1
ASSI { 841}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 8.303 ppm2 1.446 CV 1
OR { 841}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
ASSI { 855}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 73 and name HB2 ))
2.200 0.600 0.600 peak 855 spectrum 1 weight 0.10000E+01 volume 0.37232E-02 ppm1 8.932 ppm2 2.977 CV 1
OR { 855}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
ASSI { 857}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
4.000 2.000 2.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.28475E-02 ppm1 8.932 ppm2 2.266 CV 1
OR { 857}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 858}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 76 and name HA ))
3.200 3.200 2.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.96269E-02 ppm1 8.932 ppm2 4.071 CV 1
OR { 858}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 76 and name HA ))
ASSI { 861}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 73 and name HN ))
2.800 1.000 1.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.19364E-02 ppm1 8.939 ppm2 9.486 CV 1
OR { 861}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 73 and name HN ))
ASSI { 871}
(( segid "AAAA" and resid 74 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
3.400 1.400 1.400 peak 871 spectrum 1 weight 0.10000E+01 volume 0.34223E-02 ppm1 8.932 ppm2 6.560 CV 1
OR { 871}
(( segid "BBBB" and resid 74 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
ASSI { 878}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 75 and name HN ))
2.100 0.500 0.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 8.926 ppm2 7.080 CV 1
OR { 878}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 75 and name HN ))
ASSI { 882}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "AAAA" and resid 41 and name HB2 ))
4.500 2.500 1.500 peak 882 spectrum 1 weight 0.10000E+01 volume 0.16333E-02 ppm1 6.601 ppm2 1.610 CV 1
OR { 882}
(( segid "BBBB" and resid 45 and name HE22))
(( segid "BBBB" and resid 41 and name HB2 ))
ASSI { 895}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
3.700 1.700 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.14600E-02 ppm1 8.912 ppm2 1.446 CV 1
OR { 895}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 899}
(( segid "AAAA" and resid 45 and name HE21))
(( segid "BBBB" and resid 8 and name HG2 ))
2.900 2.900 3.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.56371E-02 ppm1 7.627 ppm2 2.239 CV 1
OR { 899}
(( segid "BBBB" and resid 45 and name HE21))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 900}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "BBBB" and resid 8 and name HG2 ))
2.700 2.700 3.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.28894E-02 ppm1 6.601 ppm2 2.239 CV 1
OR { 900}
(( segid "BBBB" and resid 45 and name HE22))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 913}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HA ))
2.700 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.34780E-02 ppm1 8.303 ppm2 4.646 CV 1
OR { 913}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HA ))
ASSI { 946}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "AAAA" and resid 48 and name HB2 ))
5.400 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 6.567 ppm2 2.731 CV 1
OR { 946}
(( segid "BBBB" and resid 45 and name HE22))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 971}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
2.700 0.900 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.45317E-02 ppm1 7.777 ppm2 8.365 CV 1
OR { 971}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
ASSI { 976}
(( segid "BBBB" and resid 55 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
2.200 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.10712E-01 ppm1 7.955 ppm2 3.743 CV 1
OR { 976}
(( segid "AAAA" and resid 55 and name HN ))
(( segid "AAAA" and resid 55 and name HB2 ))
OR { 976}
(( segid "AAAA" and resid 55 and name HN ))
(( segid "AAAA" and resid 54 and name HA2 ))
ASSI { 977}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 69 and name HN ))
3.300 1.300 1.300 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18434E-02 ppm1 7.763 ppm2 10.361 CV 1
OR { 977}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 69 and name HN ))
ASSI { 978}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 65 and name HA ))
2.400 2.400 3.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.83512E-02 ppm1 7.784 ppm2 3.907 CV 1
OR { 978}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 65 and name HA ))
ASSI { 979}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 65 and name HB ))
3.200 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.28322E-02 ppm1 7.784 ppm2 2.212 CV 1
OR { 979}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 65 and name HB ))
ASSI { 988}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HA ))
2.400 0.700 0.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.87565E-02 ppm1 7.852 ppm2 4.810 CV 1
OR { 988}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HA ))
ASSI { 998}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
2.400 0.700 0.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.42913E-02 ppm1 7.852 ppm2 3.224 CV 1
OR { 998}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 999}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.500 2.500 3.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.25238E-02 ppm1 7.804 ppm2 2.841 CV 1
OR { 999}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 1014}
(( segid "AAAA" and resid 5 and name HN ))
(( segid "BBBB" and resid 51 and name HG2 ))
3.100 3.100 2.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.45200E-02 ppm1 7.907 ppm2 1.337 CV 1
ASSI { 1031}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
3.800 1.800 1.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 10.368 ppm2 3.060 CV 1
OR { 1031}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
ASSI { 1032}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
2.200 2.200 3.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10553E-01 ppm1 10.368 ppm2 8.365 CV 1
OR { 1032}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
ASSI { 1033}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.67212E-02 ppm1 7.312 ppm2 3.032 CV 1
OR { 1033}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HB2 ))
ASSI { 1037}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 69 and name HB2 ))
2.800 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.51630E-02 ppm1 10.375 ppm2 3.962 CV 1
OR { 1037}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 69 and name HB2 ))
OR { 1037}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 1039}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
2.400 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.55816E-02 ppm1 7.312 ppm2 6.998 CV 1
OR { 1039}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HN ))
OR { 1039}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
3.200 1.300 1.300 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.33730E-02 ppm1 10.368 ppm2 2.266 CV 1
OR { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
ASSI { 1042}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 70 and name HN ))
2.300 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.85043E-02 ppm1 10.368 ppm2 7.572 CV 1
OR { 1042}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 70 and name HN ))
ASSI { 1043}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HA ))
2.600 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.35313E-02 ppm1 10.368 ppm2 4.810 CV 1
OR { 1043}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 68 and name HA ))
ASSI { 1044}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 67 and name HN ))
3.100 1.200 1.200 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.24549E-02 ppm1 10.368 ppm2 7.763 CV 1
OR { 1044}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 67 and name HN ))
ASSI { 1047}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 17 and name HA ))
3.400 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.25027E-02 ppm1 7.319 ppm2 4.126 CV 1
OR { 1047}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HA ))
ASSI { 1048}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
2.200 0.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.61874E-02 ppm1 7.312 ppm2 3.278 CV 1
OR { 1048}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 1049}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
2.700 0.900 0.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27796E-02 ppm1 10.368 ppm2 4.290 CV 1
OR { 1049}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
ASSI { 1050}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
3.000 3.000 3.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.40932E-02 ppm1 10.368 ppm2 3.661 CV 1
OR { 1050}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 1050}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
ASSI { 1052}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 23 and name HD% )
3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.27519E-02 ppm1 7.326 ppm2 6.806 CV 1
OR { 1052}
(( segid "AAAA" and resid 21 and name HN ))
( segid "AAAA" and resid 23 and name HD% )
ASSI { 1054}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 19 and name HB ))
2.500 2.500 3.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.26056E-02 ppm1 7.305 ppm2 5.603 CV 1
OR { 1054}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 19 and name HB ))
ASSI { 1055}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
2.400 0.700 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.75967E-02 ppm1 7.326 ppm2 3.825 CV 1
OR { 1055}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 1055}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 1055}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HA ))
ASSI { 1057}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
3.400 1.400 1.400 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.40776E-02 ppm1 7.326 ppm2 2.266 CV 1
OR { 1057}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 1057}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 1057}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
ASSI { 1059}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
4.200 2.200 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 10.361 ppm2 1.501 CV 1
OR { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 1059}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 1066}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 84 and name HN ))
2.300 0.700 0.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.67450E-02 ppm1 7.333 ppm2 8.666 CV 1
OR { 1066}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 84 and name HN ))
ASSI { 1090}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HB2 ))
3.300 1.400 1.400 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.35097E-02 ppm1 7.339 ppm2 2.075 CV 1
OR { 1090}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HB2 ))
OR { 1090}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
OR { 1090}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 37 and name HB2 ))
OR { 1090}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 37 and name HB2 ))
OR { 1090}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 70 and name HG2 ))
ASSI { 1095}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 85 and name HB2 ))
2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.27356E-02 ppm1 7.346 ppm2 1.747 CV 1
OR { 1095}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 85 and name HB2 ))
ASSI { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
3.000 3.000 3.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.69519E-02 ppm1 7.346 ppm2 1.419 CV 1
OR { 1098}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 1098}
(( segid "AAAA" and resid 85 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
OR { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "BBBB" and resid 80 and name HB ))
ASSI { 1114}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
3.800 3.800 2.200 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 7.579 ppm2 7.271 CV 1
OR { 1114}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
ASSI { 1122}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 68 and name HB2 ))
3.400 1.400 1.400 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20775E-02 ppm1 7.592 ppm2 3.114 CV 1
OR { 1122}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 68 and name HB2 ))
ASSI { 1123}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.300 0.600 0.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.72858E-02 ppm1 8.768 ppm2 4.454 CV 1
OR { 1123}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
OR { 1123}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 36 and name HA ))
ASSI { 1126}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 70 and name HA ))
2.400 0.700 0.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.54748E-02 ppm1 7.592 ppm2 4.919 CV 1
OR { 1126}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 70 and name HA ))
ASSI { 1128}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.10817E-01 ppm1 8.768 ppm2 1.993 CV 1
OR { 1128}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 35 and name HB ))
ASSI { 1129}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
2.200 0.600 0.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.73083E-02 ppm1 8.768 ppm2 4.892 CV 1
OR { 1129}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 34 and name HA ))
ASSI { 1130}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
3.600 3.600 2.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.53215E-02 ppm1 9.773 ppm2 8.529 CV 1
OR { 1130}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
ASSI { 1131}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.62244E-02 ppm1 8.768 ppm2 3.442 CV 1
OR { 1131}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 34 and name HB2 ))
ASSI { 1132}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
3.100 3.100 2.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.42499E-02 ppm1 7.599 ppm2 8.365 CV 1
OR { 1132}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
ASSI { 1144}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
3.100 3.100 2.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.66962E-02 ppm1 7.592 ppm2 1.501 CV 1
OR { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
OR { 1144}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 1150}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HA1 ))
3.100 3.100 2.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 9.767 ppm2 4.126 CV 1
OR { 1150}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HA1 ))
ASSI { 1153}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
2.500 2.500 3.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.90909E-02 ppm1 7.592 ppm2 3.661 CV 1
OR { 1153}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 1153}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 1153}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
ASSI { 1163}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 27 and name HG2 ))
3.400 1.400 1.400 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.39739E-02 ppm1 9.780 ppm2 2.184 CV 1
OR { 1163}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 27 and name HG2 ))
ASSI { 1166}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
3.000 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 7.586 ppm2 4.290 CV 1
OR { 1166}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
ASSI { 1167}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
3.300 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.27174E-02 ppm1 9.787 ppm2 7.435 CV 1
OR { 1167}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
ASSI { 1168}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.77686E-02 ppm1 9.787 ppm2 2.020 CV 1
OR { 1168}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
ASSI { 1183}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 27 and name HB2 ))
3.600 1.600 1.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.48747E-03 ppm1 9.780 ppm2 1.774 CV 1
OR { 1183}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 27 and name HB2 ))
ASSI { 1191}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 48 and name HA ))
2.500 0.800 0.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.64966E-02 ppm1 9.746 ppm2 4.482 CV 1
OR { 1191}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 48 and name HA ))
ASSI { 1193}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
4.000 2.000 2.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 9.794 ppm2 9.158 CV 1
OR { 1193}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
ASSI { 1198}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.43090E-02 ppm1 8.440 ppm2 7.271 CV 1
OR { 1198}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
ASSI { 1199}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
2.500 0.800 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.66562E-02 ppm1 8.447 ppm2 4.263 CV 1
OR { 1199}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 1199}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 41 and name HA ))
ASSI { 1202}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
3.700 1.700 1.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.14805E-02 ppm1 7.517 ppm2 1.938 CV 1
OR { 1202}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
OR { 1202}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
ASSI { 1203}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.61016E-02 ppm1 9.753 ppm2 3.306 CV 1
OR { 1203}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 48 and name HB2 ))
ASSI { 1204}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 50 and name HN ))
3.300 3.300 2.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.35412E-02 ppm1 9.746 ppm2 7.763 CV 1
OR { 1204}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 50 and name HN ))
ASSI { 1212}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 79 and name HN ))
2.400 0.700 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.42994E-02 ppm1 7.497 ppm2 6.888 CV 1
OR { 1212}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 79 and name HN ))
ASSI { 1219}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.800 1.000 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 7.510 ppm2 3.224 CV 1
OR { 1219}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 1221}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
3.200 1.300 1.300 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.27125E-02 ppm1 7.490 ppm2 2.294 CV 1
OR { 1221}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 1269}
(( segid "AAAA" and resid 50 and name HN ))
(( segid "AAAA" and resid 51 and name HN ))
2.900 2.900 3.100 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.68710E-02 ppm1 7.777 ppm2 7.107 CV 1
OR { 1269}
(( segid "BBBB" and resid 50 and name HN ))
(( segid "BBBB" and resid 51 and name HN ))
ASSI { 1285}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 22 and name HN ))
2.500 0.800 0.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.40992E-02 ppm1 7.428 ppm2 8.720 CV 1
OR { 1285}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 22 and name HN ))
ASSI { 1291}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
2.400 0.700 0.700 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.43672E-02 ppm1 7.421 ppm2 8.447 CV 1
OR { 1291}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
ASSI { 1293}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 23 and name HB2 ))
3.200 1.300 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.44751E-02 ppm1 7.428 ppm2 2.731 CV 1
OR { 1293}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 23 and name HB2 ))
ASSI { 1295}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 23 and name HA ))
2.700 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 7.421 ppm2 3.962 CV 1
OR { 1295}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 23 and name HA ))
ASSI { 1303}
(( segid "BBBB" and resid 50 and name HN ))
(( segid "BBBB" and resid 49 and name HA ))
4.000 2.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.38657E-02 ppm1 7.777 ppm2 4.208 CV 1
OR { 1303}
(( segid "AAAA" and resid 50 and name HN ))
(( segid "AAAA" and resid 49 and name HA ))
ASSI { 1306}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.700 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.70257E-02 ppm1 8.413 ppm2 3.060 CV 1
OR { 1306}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 1307}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 22 and name HB ))
3.100 1.200 1.200 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.44591E-02 ppm1 7.428 ppm2 4.290 CV 1
OR { 1307}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 1309}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 51 and name HN ))
2.400 0.700 0.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.89755E-02 ppm1 8.399 ppm2 7.107 CV 1
OR { 1309}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 51 and name HN ))
OR { 1309}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 36 and name HN ))
OR { 1309}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 36 and name HN ))
ASSI { 1312}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
3.400 3.400 2.600 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.62299E-02 ppm1 8.433 ppm2 3.470 CV 1
OR { 1312}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
OR { 1312}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 46 and name HA ))
OR { 1312}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 46 and name HA ))
ASSI { 1315}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 52 and name HB2 ))
3.500 1.500 1.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.45374E-03 ppm1 8.399 ppm2 2.759 CV 1
OR { 1315}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 52 and name HB2 ))
ASSI { 1317}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 39 and name HG2 ))
2.600 0.800 0.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.84920E-02 ppm1 8.399 ppm2 1.309 CV 1
OR { 1317}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 1322}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 51 and name HA ))
2.300 0.600 0.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.63839E-02 ppm1 8.392 ppm2 3.989 CV 1
OR { 1322}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 1322}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1322}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 1322}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HA ))
ASSI { 1323}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
2.400 0.700 0.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.45826E-02 ppm1 7.545 ppm2 1.665 CV 1
OR { 1323}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 93 and name HB2 ))
ASSI { 1330}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 92 and name HN ))
2.100 0.500 0.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.10995E-01 ppm1 7.565 ppm2 8.064 CV 1
OR { 1330}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 92 and name HN ))
ASSI { 1331}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
3.600 1.600 1.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.40139E-02 ppm1 7.880 ppm2 2.130 CV 1
OR { 1331}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 1332}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 69 and name HN ))
2.800 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.30927E-02 ppm1 8.379 ppm2 10.334 CV 1
OR { 1332}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 69 and name HN ))
ASSI { 1333}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
2.800 1.000 1.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.18282E-02 ppm1 8.488 ppm2 7.435 CV 1
OR { 1333}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
OR { 1333}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 23 and name HN ))
OR { 1333}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 23 and name HN ))
ASSI { 1335}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 11 and name HN ))
2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.42491E-02 ppm1 7.880 ppm2 9.240 CV 1
OR { 1335}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 11 and name HN ))
ASSI { 1337}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
2.300 0.700 0.700 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.50263E-02 ppm1 7.880 ppm2 8.638 CV 1
OR { 1337}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
ASSI { 1339}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
2.200 0.600 0.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.65623E-02 ppm1 8.481 ppm2 3.689 CV 1
OR { 1339}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 24 and name HA ))
ASSI { 1341}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HN ))
2.300 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.10825E-01 ppm1 8.385 ppm2 7.763 CV 1
OR { 1341}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 67 and name HN ))
ASSI { 1345}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 32 and name HB2 ))
2.800 2.800 3.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.66438E-02 ppm1 8.385 ppm2 3.661 CV 1
OR { 1345}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
ASSI { 1351}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
2.200 0.600 0.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.53789E-02 ppm1 7.251 ppm2 1.966 CV 1
OR { 1351}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
ASSI { 1353}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 50 and name HG ))
5.400 3.700 1.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.53643E-02 ppm1 8.399 ppm2 1.501 CV 1
OR { 1353}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 50 and name HG ))
ASSI { 1356}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.27441E-02 ppm1 8.030 ppm2 3.552 CV 1
OR { 1356}
(( segid "AAAA" and resid 83 and name HN ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 1356}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 1357}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
2.800 1.000 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.39121E-02 ppm1 7.886 ppm2 2.403 CV 1
OR { 1357}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 10 and name HG2 ))
ASSI { 1358}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
2.600 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.33294E-02 ppm1 7.886 ppm2 3.689 CV 1
OR { 1358}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 1363}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
3.100 3.100 2.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.42464E-02 ppm1 7.880 ppm2 2.266 CV 1
OR { 1363}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 1363}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "AAAA" and resid 90 and name HG2 ))
ASSI { 1365}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
2.400 0.700 0.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.43439E-02 ppm1 7.244 ppm2 9.295 CV 1
OR { 1365}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 1366}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
3.000 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 7.251 ppm2 3.743 CV 1
OR { 1366}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1370}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HG2 ))
2.100 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.45642E-02 ppm1 7.244 ppm2 1.555 CV 1
OR { 1370}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 1371}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
2.300 0.600 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.10132E-01 ppm1 7.251 ppm2 3.989 CV 1
OR { 1371}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 1373}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 79 and name HN ))
2.200 0.600 0.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.64882E-02 ppm1 7.251 ppm2 6.888 CV 1
OR { 1373}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 79 and name HN ))
ASSI { 1377}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 75 and name HA ))
2.900 1.000 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.31878E-02 ppm1 7.244 ppm2 4.400 CV 1
OR { 1377}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 1381}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HB2 ))
2.800 1.000 1.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.42448E-02 ppm1 7.251 ppm2 3.032 CV 1
OR { 1381}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 1384}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 61 and name HN ))
2.200 0.600 0.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.70822E-02 ppm1 8.242 ppm2 7.162 CV 1
OR { 1384}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
ASSI { 1388}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HN ))
2.100 0.600 0.600 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.10947E-01 ppm1 7.565 ppm2 7.818 CV 1
OR { 1388}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HN ))
ASSI { 1389}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
2.900 1.000 1.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.40087E-02 ppm1 7.018 ppm2 4.318 CV 1
OR { 1389}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 19 and name HA ))
ASSI { 1394}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 22 and name HN ))
3.200 1.300 1.300 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 7.025 ppm2 8.720 CV 1
OR { 1394}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 22 and name HN ))
ASSI { 1399}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
2.300 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.72529E-02 ppm1 8.242 ppm2 3.306 CV 1
OR { 1399}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 1406}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.17671E-02 ppm1 7.025 ppm2 1.227 CV 1
OR { 1406}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 1407}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 21 and name HN ))
2.500 0.800 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.33193E-02 ppm1 7.032 ppm2 7.298 CV 1
OR { 1407}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 21 and name HN ))
ASSI { 1409}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 95 and name HA ))
3.400 1.400 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.83177E-03 ppm1 7.579 ppm2 4.044 CV 1
OR { 1409}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 95 and name HA ))
OR { 1409}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "AAAA" and resid 74 and name HA ))
OR { 1409}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 74 and name HA ))
OR { 1409}
(( segid "AAAA" and resid 64 and name HN ))
(( segid "AAAA" and resid 61 and name HA ))
ASSI { 1411}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
3.400 3.400 2.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 7.572 ppm2 3.142 CV 1
OR { 1411}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
ASSI { 1417}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "BBBB" and resid 86 and name HN ))
3.200 3.200 2.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.29040E-02 ppm1 8.050 ppm2 7.271 CV 1
OR { 1417}
(( segid "AAAA" and resid 83 and name HN ))
(( segid "AAAA" and resid 86 and name HN ))
ASSI { 1435}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
3.000 3.000 3.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.61081E-02 ppm1 7.230 ppm2 3.224 CV 1
OR { 1435}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 1436}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 20 and name HA ))
2.400 0.700 0.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.55496E-02 ppm1 7.025 ppm2 3.442 CV 1
OR { 1436}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 20 and name HA ))
ASSI { 1445}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
2.400 0.700 0.700 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.46858E-02 ppm1 8.748 ppm2 3.278 CV 1
OR { 1445}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 1447}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HB ))
2.800 1.000 1.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.26112E-02 ppm1 7.025 ppm2 5.603 CV 1
OR { 1447}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 19 and name HB ))
ASSI { 1450}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HB ))
2.100 0.600 0.600 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.10727E-01 ppm1 8.926 ppm2 4.454 CV 1
OR { 1450}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HB ))
ASSI { 1451}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
2.500 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.45394E-02 ppm1 9.226 ppm2 4.454 CV 1
OR { 1451}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
ASSI { 1454}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.300 0.600 0.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.55000E-02 ppm1 9.226 ppm2 8.529 CV 1
OR { 1454}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 1457}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.100 0.500 0.500 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.70635E-02 ppm1 9.233 ppm2 3.032 CV 1
OR { 1457}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 1459}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 14 and name HN ))
2.200 0.600 0.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.75467E-02 ppm1 8.926 ppm2 8.365 CV 1
OR { 1459}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 14 and name HN ))
ASSI { 1462}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 20 and name HB2 ))
3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.49910E-02 ppm1 8.748 ppm2 3.060 CV 1
OR { 1462}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
ASSI { 1466}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
2.300 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.63827E-02 ppm1 9.226 ppm2 8.420 CV 1
OR { 1466}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
ASSI { 1467}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
3.300 1.400 1.400 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.15102E-02 ppm1 7.025 ppm2 3.798 CV 1
OR { 1467}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
ASSI { 1468}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 53 and name HA ))
2.300 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.65449E-02 ppm1 7.579 ppm2 3.825 CV 1
OR { 1468}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 1468}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 1468}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 1468}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HA2 ))
ASSI { 1471}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HA ))
3.500 1.500 1.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.54385E-03 ppm1 8.748 ppm2 3.798 CV 1
OR { 1471}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
ASSI { 1472}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.300 0.700 0.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.99739E-02 ppm1 8.926 ppm2 4.126 CV 1
OR { 1472}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
ASSI { 1479}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
2.800 2.800 3.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.73229E-02 ppm1 8.926 ppm2 2.294 CV 1
OR { 1479}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
ASSI { 1480}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 16 and name HN ))
2.300 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.68425E-02 ppm1 8.926 ppm2 8.611 CV 1
OR { 1480}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 16 and name HN ))
ASSI { 1481}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HB ))
3.900 1.900 1.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 8.748 ppm2 4.290 CV 1
OR { 1481}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 1483}
(( segid "BBBB" and resid 57 and name HN ))
(( segid "BBBB" and resid 58 and name HN ))
3.200 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 8.228 ppm2 7.763 CV 1
OR { 1483}
(( segid "AAAA" and resid 57 and name HN ))
(( segid "AAAA" and resid 58 and name HN ))
OR { 1483}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 58 and name HN ))
OR { 1483}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 58 and name HN ))
ASSI { 1487}
(( segid "BBBB" and resid 57 and name HN ))
(( segid "BBBB" and resid 57 and name HB2 ))
3.000 1.100 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.43677E-02 ppm1 8.228 ppm2 2.485 CV 1
OR { 1487}
(( segid "AAAA" and resid 57 and name HN ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 1487}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 1493}
(( segid "BBBB" and resid 38 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
2.900 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.47535E-02 ppm1 9.226 ppm2 6.998 CV 1
OR { 1493}
(( segid "AAAA" and resid 38 and name HN ))
( segid "AAAA" and resid 23 and name HE% )
OR { 1493}
(( segid "AAAA" and resid 38 and name HN ))
( segid "AAAA" and resid 38 and name HD% )
OR { 1493}
(( segid "BBBB" and resid 38 and name HN ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 1494}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
2.800 2.800 3.200 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.63549E-02 ppm1 7.586 ppm2 7.271 CV 1
OR { 1494}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
ASSI { 1496}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 16 and name HB ))
3.800 1.800 1.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 8.926 ppm2 2.595 CV 1
OR { 1496}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 16 and name HB ))
ASSI { 1497}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 60 and name HG2 ))
4.500 2.600 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.66405E-03 ppm1 8.249 ppm2 2.184 CV 1
OR { 1497}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 1498}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 59 and name HN ))
2.300 0.700 0.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.49605E-02 ppm1 8.256 ppm2 7.900 CV 1
OR { 1498}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 59 and name HN ))
ASSI { 1500}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
2.600 0.800 0.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.68522E-02 ppm1 8.926 ppm2 1.173 CV 1
OR { 1500}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 1500}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
ASSI { 1505}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.400 0.700 0.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.71114E-02 ppm1 8.748 ppm2 0.817 CV 1
OR { 1505}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 1506}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 34 and name HN ))
3.000 3.000 3.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.19698E-02 ppm1 9.226 ppm2 9.787 CV 1
OR { 1506}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 34 and name HN ))
ASSI { 1507}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
3.200 1.300 1.300 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 8.734 ppm2 6.998 CV 1
OR { 1507}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 20 and name HN ))
OR { 1507}
(( segid "AAAA" and resid 22 and name HN ))
( segid "AAAA" and resid 23 and name HE% )
OR { 1507}
(( segid "BBBB" and resid 22 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 1509}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HB ))
3.000 1.100 1.100 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.63266E-02 ppm1 9.233 ppm2 2.020 CV 1
OR { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
OR { 1509}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HB2 ))
OR { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HB2 ))
ASSI { 1510}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HN ))
2.200 0.600 0.600 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.87572E-02 ppm1 8.741 ppm2 7.298 CV 1
OR { 1510}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HN ))
ASSI { 1511}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 14 and name HB2 ))
2.400 0.700 0.700 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.61381E-02 ppm1 8.926 ppm2 2.020 CV 1
OR { 1511}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 14 and name HB2 ))
ASSI { 1512}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.30379E-02 ppm1 8.256 ppm2 1.856 CV 1
OR { 1512}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 59 and name HB2 ))
OR { 1512}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 61 and name HB2 ))
ASSI { 1522}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 13 and name HA ))
3.000 1.200 1.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 8.912 ppm2 3.415 CV 1
OR { 1522}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 13 and name HA ))
ASSI { 1525}
(( segid "AAAA" and resid 64 and name HN ))
(( segid "AAAA" and resid 64 and name HB2 ))
3.600 1.600 1.600 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 7.579 ppm2 2.868 CV 1
OR { 1525}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
ASSI { 1531}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HB2 ))
2.700 0.900 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.81386E-02 ppm1 8.659 ppm2 1.637 CV 1
OR { 1531}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 9 and name HB2 ))
ASSI { 1532}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HA ))
2.900 1.000 1.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.30894E-02 ppm1 7.784 ppm2 4.263 CV 1
OR { 1532}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 1533}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
3.300 1.400 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.19971E-02 ppm1 9.226 ppm2 8.720 CV 1
OR { 1533}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
ASSI { 1538}
(( segid "AAAA" and resid 9 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.55852E-02 ppm1 8.666 ppm2 1.419 CV 1
OR { 1538}
(( segid "BBBB" and resid 9 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 1540}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
2.200 0.600 0.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.60063E-02 ppm1 8.659 ppm2 2.048 CV 1
OR { 1540}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
ASSI { 1543}
(( segid "AAAA" and resid 95 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
2.500 0.800 0.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.70039E-02 ppm1 7.579 ppm2 0.817 CV 1
OR { 1543}
(( segid "BBBB" and resid 95 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 1548}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 7 and name HB ))
2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.39042E-02 ppm1 8.666 ppm2 4.892 CV 1
OR { 1548}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 7 and name HB ))
ASSI { 1550}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HN ))
2.600 0.800 0.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.33152E-02 ppm1 8.666 ppm2 9.623 CV 1
OR { 1550}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HN ))
ASSI { 1554}
(( segid "AAAA" and resid 95 and name HN ))
( segid "BBBB" and resid 76 and name HD% )
3.400 1.400 1.400 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 7.579 ppm2 6.916 CV 1
ASSI { 1557}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 7 and name HA ))
3.100 1.200 1.200 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.27582E-02 ppm1 8.666 ppm2 4.454 CV 1
OR { 1557}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
ASSI { 1558}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
5.200 3.400 0.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.21289E-03 ppm1 8.666 ppm2 2.266 CV 1
OR { 1558}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
ASSI { 1563}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 17 and name HN ))
2.300 2.300 3.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.41282E-02 ppm1 8.727 ppm2 8.228 CV 1
OR { 1563}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
ASSI { 1566}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 58 and name HG2 ))
5.200 4.300 1.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.76469E-02 ppm1 7.784 ppm2 2.266 CV 1
OR { 1566}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 1571}
(( segid "AAAA" and resid 95 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
3.900 1.900 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 7.586 ppm2 6.560 CV 1
OR { 1571}
(( segid "BBBB" and resid 95 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
OR { 1571}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HZ3 ))
ASSI { 1574}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 58 and name HB2 ))
3.400 1.400 1.400 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.70762E-03 ppm1 7.784 ppm2 2.020 CV 1
OR { 1574}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 58 and name HB2 ))
ASSI { 1580}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HN ))
2.600 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.44023E-02 ppm1 7.784 ppm2 8.201 CV 1
OR { 1580}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HN ))
ASSI { 1581}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
2.200 0.600 0.600 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.67774E-02 ppm1 8.673 ppm2 7.873 CV 1
OR { 1581}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
ASSI { 1583}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 53 and name HB ))
2.200 0.600 0.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.80632E-02 ppm1 7.586 ppm2 2.048 CV 1
OR { 1583}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 53 and name HB ))
ASSI { 1585}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
2.300 0.700 0.700 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.67250E-02 ppm1 8.673 ppm2 4.153 CV 1
OR { 1585}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 9 and name HA ))
OR { 1585}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 1594}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.500 0.800 0.800 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.73373E-02 ppm1 7.791 ppm2 2.513 CV 1
OR { 1594}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 1596}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
2.400 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.49720E-02 ppm1 9.664 ppm2 8.638 CV 1
OR { 1596}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
ASSI { 1599}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
1.900 0.500 0.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.93846E-02 ppm1 9.664 ppm2 2.239 CV 1
OR { 1599}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
ASSI { 1602}
(( segid "AAAA" and resid 8 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
2.600 0.800 0.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.66969E-02 ppm1 9.671 ppm2 1.419 CV 1
OR { 1602}
(( segid "BBBB" and resid 8 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 1603}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 7 and name HA ))
2.800 1.000 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.17514E-02 ppm1 9.664 ppm2 4.454 CV 1
OR { 1603}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
ASSI { 1605}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
2.500 2.500 3.500 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.71664E-02 ppm1 9.664 ppm2 2.431 CV 1
OR { 1605}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 10 and name HG2 ))
OR { 1605}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "BBBB" and resid 44 and name HG2 ))
ASSI { 1608}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
2.200 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.75096E-02 ppm1 9.664 ppm2 2.048 CV 1
OR { 1608}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
ASSI { 1610}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
2.200 0.600 0.600 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.87015E-02 ppm1 9.671 ppm2 4.099 CV 1
OR { 1610}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 1613}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 7 and name HB ))
1.900 0.400 0.400 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.98220E-02 ppm1 9.664 ppm2 4.892 CV 1
OR { 1613}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 7 and name HB ))
ASSI { 1631}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.31859E-02 ppm1 7.319 ppm2 7.900 CV 1
OR { 1631}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
ASSI { 1637}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
2.600 0.800 0.800 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.51066E-02 ppm1 8.235 ppm2 3.825 CV 1
OR { 1637}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 1643}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 15 and name HN ))
3.300 1.400 1.400 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 8.221 ppm2 8.912 CV 1
OR { 1643}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 15 and name HN ))
ASSI { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 88 and name HA ))
2.800 2.800 3.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.79024E-02 ppm1 7.326 ppm2 4.044 CV 1
OR { 1655}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 89 and name HA ))
OR { 1655}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 89 and name HA ))
ASSI { 1658}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 16 and name HN ))
2.400 0.700 0.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.49557E-02 ppm1 8.228 ppm2 8.584 CV 1
OR { 1658}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 16 and name HN ))
ASSI { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
3.800 1.800 1.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 7.319 ppm2 1.446 CV 1
OR { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 1669}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
1.800 0.400 0.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.11028E-01 ppm1 7.326 ppm2 2.321 CV 1
OR { 1669}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 1671}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
3.100 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.27638E-02 ppm1 7.551 ppm2 3.306 CV 1
OR { 1671}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 1671}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 48 and name HB2 ))
ASSI { 1672}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 7.326 ppm2 2.102 CV 1
OR { 1672}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 1673}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 85 and name HA ))
2.500 0.800 0.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 7.326 ppm2 3.524 CV 1
OR { 1673}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 1673}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 1674}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
3.000 1.100 1.100 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.29036E-02 ppm1 9.664 ppm2 7.873 CV 1
OR { 1674}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
ASSI { 1689}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HB2 ))
2.700 2.700 3.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.61745E-02 ppm1 7.326 ppm2 1.774 CV 1
OR { 1689}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HB2 ))
OR { 1689}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 83 and name HB2 ))
ASSI { 1697}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
2.300 0.700 0.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.50093E-02 ppm1 6.916 ppm2 1.966 CV 1
OR { 1697}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
ASSI { 1703}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
2.300 0.700 0.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.95874E-02 ppm1 7.538 ppm2 4.181 CV 1
OR { 1703}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
ASSI { 1711}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 79 and name HB2 ))
2.500 0.800 0.800 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.44599E-02 ppm1 6.916 ppm2 2.266 CV 1
OR { 1711}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 79 and name HB2 ))
OR { 1711}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 1725}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
2.500 0.800 0.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.31752E-02 ppm1 6.916 ppm2 7.216 CV 1
OR { 1725}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
ASSI { 1726}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
2.200 0.600 0.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.55253E-02 ppm1 6.916 ppm2 1.528 CV 1
OR { 1726}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 1734}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
3.300 1.300 1.300 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.26738E-02 ppm1 8.522 ppm2 1.118 CV 1
OR { 1734}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 1738}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HN ))
2.200 0.600 0.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.77209E-02 ppm1 8.515 ppm2 7.900 CV 1
OR { 1738}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HN ))
OR { 1738}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
ASSI { 1739}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 41 and name HN ))
2.400 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.65911E-02 ppm1 8.515 ppm2 8.146 CV 1
OR { 1739}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 41 and name HN ))
ASSI { 1744}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 10 and name HG2 ))
3.500 1.500 1.500 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.52572E-02 ppm1 9.274 ppm2 2.431 CV 1
OR { 1744}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
ASSI { 1752}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.200 0.600 0.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.79329E-02 ppm1 8.515 ppm2 3.470 CV 1
OR { 1752}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 1755}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
2.700 0.900 0.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.89159E-02 ppm1 9.274 ppm2 1.473 CV 1
OR { 1755}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 1755}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 1755}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 1759}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.300 0.700 0.700 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.71252E-02 ppm1 7.121 ppm2 8.529 CV 1
OR { 1759}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 1762}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HB2 ))
3.000 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.73778E-02 ppm1 9.322 ppm2 3.032 CV 1
OR { 1762}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 1769}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
3.100 1.200 1.200 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.33688E-02 ppm1 9.274 ppm2 8.638 CV 1
OR { 1769}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 1770}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
2.400 0.700 0.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.63535E-02 ppm1 9.315 ppm2 3.716 CV 1
OR { 1770}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1771}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 6 and name HB2 ))
4.100 1.200 1.200 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.86892E-02 ppm1 9.274 ppm2 1.637 CV 1
ASSI { 1772}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 71 and name HA ))
4.100 2.200 1.900 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 6.847 ppm2 5.712 CV 1
OR { 1772}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 71 and name HA ))
ASSI { 1775}
(( segid "BBBB" and resid 51 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
2.600 0.900 0.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.35832E-02 ppm1 7.134 ppm2 3.989 CV 1
OR { 1775}
(( segid "AAAA" and resid 51 and name HN ))
(( segid "AAAA" and resid 51 and name HA ))
OR { 1775}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 1777}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.100 2.100 3.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.11112E-01 ppm1 7.121 ppm2 4.427 CV 1
OR { 1777}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 1783}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
1.900 0.500 0.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.75726E-02 ppm1 8.509 ppm2 1.583 CV 1
OR { 1783}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 1785}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
3.100 1.200 1.200 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 9.288 ppm2 4.099 CV 1
OR { 1785}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 1785}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 1785}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 1787}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
3.600 1.600 1.600 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.57810E-03 ppm1 9.274 ppm2 7.900 CV 1
OR { 1787}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
OR { 1787}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 12 and name HN ))
ASSI { 1788}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
2.200 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.52919E-02 ppm1 7.121 ppm2 8.748 CV 1
OR { 1788}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
ASSI { 1791}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 40 and name HG2 ))
2.800 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.12366E-02 ppm1 7.900 ppm2 2.485 CV 1
OR { 1791}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
ASSI { 1794}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HG2 ))
2.300 0.700 0.700 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.94024E-02 ppm1 8.556 ppm2 2.321 CV 1
OR { 1794}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 1795}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HZ3 ))
3.900 1.900 1.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.11809E-02 ppm1 9.322 ppm2 6.533 CV 1
OR { 1795}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 77 and name HZ3 ))
ASSI { 1796}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HA ))
2.300 0.700 0.700 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.55257E-02 ppm1 8.563 ppm2 4.071 CV 1
OR { 1796}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 37 and name HA ))
ASSI { 1797}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
2.300 0.700 0.700 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.60271E-02 ppm1 7.907 ppm2 8.420 CV 1
OR { 1797}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
ASSI { 1800}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 37 and name HB2 ))
2.100 0.600 0.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.71696E-02 ppm1 8.563 ppm2 2.048 CV 1
OR { 1800}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HB2 ))
OR { 1800}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 1802}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 38 and name HN ))
2.400 0.700 0.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.36269E-02 ppm1 8.563 ppm2 9.185 CV 1
OR { 1802}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 38 and name HN ))
ASSI { 1804}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 55 and name HA ))
2.900 1.000 1.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.31039E-02 ppm1 7.914 ppm2 3.989 CV 1
OR { 1804}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 55 and name HA ))
OR { 1804}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 1804}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 1804}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1804}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 39 and name HA ))
ASSI { 1805}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
2.300 0.600 0.600 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.68315E-02 ppm1 9.329 ppm2 7.216 CV 1
OR { 1805}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
ASSI { 1809}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 27 and name HN ))
3.400 1.400 1.400 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 8.577 ppm2 9.787 CV 1
OR { 1809}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 27 and name HN ))
OR { 1809}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 34 and name HN ))
ASSI { 1812}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 41 and name HN ))
4.000 2.000 2.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.23841E-03 ppm1 7.921 ppm2 8.201 CV 1
OR { 1812}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 41 and name HN ))
OR { 1812}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 60 and name HN ))
OR { 1812}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 60 and name HN ))
ASSI { 1814}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HG2 ))
3.800 1.800 1.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 7.907 ppm2 2.294 CV 1
OR { 1814}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 1830}
(( segid "AAAA" and resid 37 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
2.900 2.900 3.100 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.74742E-02 ppm1 8.563 ppm2 7.080 CV 1
OR { 1830}
(( segid "BBBB" and resid 37 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1834}
(( segid "AAAA" and resid 40 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
2.600 2.600 3.400 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.77226E-02 ppm1 7.893 ppm2 7.080 CV 1
OR { 1834}
(( segid "BBBB" and resid 40 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1840}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.900 1.000 1.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.36973E-02 ppm1 8.563 ppm2 4.427 CV 1
OR { 1840}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 1845}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
3.800 1.800 1.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.15023E-02 ppm1 8.577 ppm2 8.748 CV 1
OR { 1845}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
ASSI { 1856}
(( segid "AAAA" and resid 76 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
2.400 0.700 0.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.34235E-02 ppm1 7.873 ppm2 9.295 CV 1
OR { 1856}
(( segid "BBBB" and resid 76 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 1879}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 93 and name HN ))
4.000 2.000 2.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.19588E-03 ppm1 8.071 ppm2 7.517 CV 1
OR { 1879}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "BBBB" and resid 93 and name HN ))
ASSI { 1889}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HA ))
2.600 0.800 0.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.43336E-02 ppm1 8.666 ppm2 3.962 CV 1
OR { 1889}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 83 and name HA ))
ASSI { 1891}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
2.900 1.100 1.100 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.28559E-02 ppm1 8.666 ppm2 3.798 CV 1
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 1891}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA1 ))
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
ASSI { 1894}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 85 and name HN ))
2.300 0.700 0.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.72340E-02 ppm1 8.659 ppm2 7.326 CV 1
OR { 1894}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 85 and name HN ))
ASSI { 1898}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
3.300 1.400 1.400 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 8.652 ppm2 3.224 CV 1
OR { 1898}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 1898}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
ASSI { 1899}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HN ))
2.200 0.600 0.600 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.78518E-02 ppm1 8.659 ppm2 8.037 CV 1
OR { 1899}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 83 and name HN ))
ASSI { 1904}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
3.000 3.000 3.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.75016E-02 ppm1 8.659 ppm2 1.884 CV 1
OR { 1904}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
ASSI { 1908}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 82 and name HN ))
2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.24963E-02 ppm1 8.659 ppm2 7.654 CV 1
OR { 1908}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 82 and name HN ))
ASSI { 1944}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
2.500 0.800 0.800 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.34655E-02 ppm1 7.319 ppm2 1.419 CV 1
OR { 1944}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
ASSI { 1945}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 46 and name HA ))
2.500 0.800 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.39628E-02 ppm1 7.319 ppm2 3.442 CV 1
OR { 1945}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 46 and name HA ))
ASSI { 1962}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 45 and name HN ))
2.200 0.600 0.600 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.65443E-02 ppm1 7.319 ppm2 8.283 CV 1
OR { 1962}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 45 and name HN ))
ASSI { 1968}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
2.100 0.600 0.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.10573E-01 ppm1 8.180 ppm2 7.900 CV 1
OR { 1968}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 40 and name HN ))
ASSI { 1973}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
3.300 1.300 1.300 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 8.174 ppm2 2.485 CV 1
OR { 1973}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 40 and name HG2 ))
ASSI { 1983}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 42 and name HN ))
2.500 0.800 0.800 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.56540E-02 ppm1 8.174 ppm2 8.474 CV 1
OR { 1983}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 42 and name HN ))
ASSI { 1984}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
2.100 0.600 0.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.98710E-02 ppm1 7.955 ppm2 1.884 CV 1
OR { 1984}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
ASSI { 1989}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 11 and name HN ))
2.300 0.700 0.700 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.66904E-02 ppm1 7.948 ppm2 9.240 CV 1
OR { 1989}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 11 and name HN ))
ASSI { 1994}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
2.100 0.500 0.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.94121E-02 ppm1 8.180 ppm2 1.583 CV 1
OR { 1994}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 2015}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
4.300 2.400 1.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.17759E-02 ppm1 7.955 ppm2 3.743 CV 1
OR { 2015}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 2027}
(( segid "AAAA" and resid 6 and name HN ))
(( segid "AAAA" and resid 7 and name HN ))
3.200 1.300 1.300 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 8.037 ppm2 8.666 CV 1
OR { 2027}
(( segid "BBBB" and resid 6 and name HN ))
(( segid "BBBB" and resid 7 and name HN ))
ASSI { 2034}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HB2 ))
2.300 0.700 0.700 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.41775E-02 ppm1 7.695 ppm2 2.102 CV 1
OR { 2034}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 82 and name HB2 ))
ASSI { 2035}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
2.200 0.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.73470E-02 ppm1 7.695 ppm2 2.321 CV 1
OR { 2035}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 2037}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 84 and name HN ))
3.100 1.200 1.200 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 7.688 ppm2 8.638 CV 1
OR { 2037}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 84 and name HN ))
ASSI { 2039}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 83 and name HN ))
2.600 0.800 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.31731E-02 ppm1 7.695 ppm2 8.064 CV 1
OR { 2039}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 83 and name HN ))
ASSI { 2041}
(( segid "AAAA" and resid 65 and name HN ))
(( segid "AAAA" and resid 64 and name HB2 ))
3.700 1.700 1.700 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.28539E-02 ppm1 8.057 ppm2 2.841 CV 1
OR { 2041}
(( segid "BBBB" and resid 65 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
ASSI { 2046}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
3.000 1.100 1.100 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 7.695 ppm2 3.224 CV 1
OR { 2046}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 2051}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 79 and name HA ))
2.600 0.800 0.800 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.52034E-02 ppm1 7.695 ppm2 3.962 CV 1
OR { 2051}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 79 and name HA ))
ASSI { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
3.300 1.300 1.300 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 7.695 ppm2 3.798 CV 1
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 81 and name HA1 ))
OR { 2053}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
ASSI { 2065}
(( segid "BBBB" and resid 65 and name HN ))
(( segid "BBBB" and resid 65 and name HB ))
3.600 1.700 1.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.50745E-03 ppm1 8.057 ppm2 2.239 CV 1
OR { 2065}
(( segid "AAAA" and resid 65 and name HN ))
(( segid "AAAA" and resid 65 and name HB ))
ASSI { 2081}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
2.800 1.000 1.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.73111E-02 ppm1 10.334 ppm2 1.501 CV 1
OR { 2081}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 2081}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 2089}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 71 and name HA ))
2.500 0.800 0.800 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.27997E-02 ppm1 10.334 ppm2 5.712 CV 1
OR { 2089}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 71 and name HA ))
ASSI { 2098}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
3.100 1.200 1.200 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.25577E-02 ppm1 10.334 ppm2 9.158 CV 1
OR { 2098}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
ASSI { 2102}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 76 and name HB2 ))
3.600 1.600 1.600 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.28812E-02 ppm1 7.114 ppm2 2.841 CV 1
OR { 2102}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 2107}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
2.300 0.700 0.700 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.44152E-02 ppm1 7.107 ppm2 4.400 CV 1
OR { 2107}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HA ))
ASSI { 2113}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 97 and name HB2 ))
3.600 1.700 1.700 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 8.249 ppm2 1.719 CV 1
OR { 2113}
(( segid "BBBB" and resid 97 and name HN ))
(( segid "BBBB" and resid 97 and name HB2 ))
OR { 2113}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 96 and name HB2 ))
OR { 2113}
(( segid "BBBB" and resid 97 and name HN ))
(( segid "BBBB" and resid 96 and name HB2 ))
ASSI { 2116}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 76 and name HN ))
2.500 0.800 0.800 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.42229E-02 ppm1 7.107 ppm2 7.845 CV 1
OR { 2116}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 76 and name HN ))
ASSI { 2124}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 70 and name HG2 ))
3.700 1.700 1.700 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.20596E-02 ppm1 9.801 ppm2 0.981 CV 1
OR { 2124}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 70 and name HG2 ))
ASSI { 2128}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "BBBB" and resid 95 and name HB ))
2.900 2.900 3.100 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.23108E-02 ppm1 7.100 ppm2 1.747 CV 1
OR { 2128}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
OR { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
OR { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 70 and name HB2 ))
ASSI { 2130}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
2.600 0.900 0.900 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.44316E-02 ppm1 7.107 ppm2 2.266 CV 1
OR { 2130}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 2133}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 72 and name HN ))
3.400 1.500 1.500 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.14609E-02 ppm1 10.348 ppm2 8.939 CV 1
OR { 2133}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 72 and name HN ))
ASSI { 2137}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
3.100 3.100 2.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.62477E-02 ppm1 9.808 ppm2 2.294 CV 1
OR { 2137}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
ASSI { 2139}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
4.100 2.100 1.900 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 9.808 ppm2 3.689 CV 1
OR { 2139}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 24 and name HA ))
ASSI { 2142}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 34 and name HB2 ))
2.700 0.900 0.900 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 9.808 ppm2 3.442 CV 1
OR { 2142}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 34 and name HB2 ))
ASSI { 2144}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
3.700 1.700 1.700 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.13634E-02 ppm1 9.801 ppm2 8.748 CV 1
OR { 2144}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
ASSI { 2147}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
3.100 3.100 2.900 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.26038E-02 ppm1 9.794 ppm2 8.529 CV 1
OR { 2147}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
ASSI { 2155}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HG ))
2.300 0.700 0.700 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.31985E-02 ppm1 9.808 ppm2 1.528 CV 1
OR { 2155}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HG ))
ASSI { 2157}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
3.600 1.600 1.600 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.61810E-02 ppm1 9.801 ppm2 2.020 CV 1
OR { 2157}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 2159}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
3.600 1.600 1.600 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.12907E-02 ppm1 7.093 ppm2 9.295 CV 1
OR { 2159}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 2164}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
3.500 1.500 1.500 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.16913E-02 ppm1 9.808 ppm2 9.185 CV 1
OR { 2164}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HN ))
ASSI { 2179}
(( segid "AAAA" and resid 73 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
2.400 0.700 0.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.25107E-02 ppm1 9.527 ppm2 6.533 CV 1
OR { 2179}
(( segid "BBBB" and resid 73 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
ASSI { 2184}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HA ))
2.700 0.900 0.900 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 9.534 ppm2 4.892 CV 1
OR { 2184}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HA ))
ASSI { 2185}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HD2 ))
4.000 2.000 2.000 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 9.520 ppm2 3.306 CV 1
OR { 2185}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 2187}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 93 and name HA ))
2.400 2.400 3.600 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.85646E-02 ppm1 8.126 ppm2 4.071 CV 1
OR { 2187}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 93 and name HA ))
ASSI { 2189}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.28761E-02 ppm1 9.534 ppm2 2.294 CV 1
OR { 2189}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 2189}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HB2 ))
ASSI { 2193}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
3.700 1.700 1.700 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 8.132 ppm2 3.142 CV 1
OR { 2193}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
ASSI { 2194}
(( segid "AAAA" and resid 96 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
2.900 2.900 3.100 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.83028E-02 ppm1 8.126 ppm2 0.817 CV 1
OR { 2194}
(( segid "BBBB" and resid 96 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 2199}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 96 and name HB2 ))
3.200 1.300 1.300 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.42694E-02 ppm1 8.126 ppm2 1.747 CV 1
OR { 2199}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 96 and name HB2 ))
ASSI { 2200}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
2.200 0.600 0.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.40932E-02 ppm1 9.534 ppm2 3.005 CV 1
OR { 2200}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 2205}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HN ))
2.200 0.600 0.600 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.20878E-02 ppm1 9.527 ppm2 8.912 CV 1
OR { 2205}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HN ))
OR { 2205}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 74 and name HN ))
ASSI { 2207}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 13 and name HA ))
3.100 1.200 1.200 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 8.618 ppm2 3.415 CV 1
OR { 2207}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 13 and name HA ))
ASSI { 2212}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 97 and name HG2 ))
3.700 1.700 1.700 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 8.160 ppm2 1.337 CV 1
OR { 2212}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 2213}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 14 and name HB2 ))
3.200 3.200 2.800 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.25540E-02 ppm1 8.632 ppm2 2.075 CV 1
OR { 2213}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
OR { 2213}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "BBBB" and resid 8 and name HB2 ))
OR { 2213}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "BBBB" and resid 14 and name HB2 ))
ASSI { 2215}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.800 1.000 1.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.45384E-02 ppm1 8.625 ppm2 4.126 CV 1
OR { 2215}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 2215}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 17 and name HA ))
ASSI { 2219}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
2.400 0.700 0.700 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.53288E-02 ppm1 8.625 ppm2 3.798 CV 1
OR { 2219}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 2228}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
3.500 1.600 1.600 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.45076E-02 ppm1 8.625 ppm2 1.200 CV 1
OR { 2228}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
ASSI { 2231}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HB ))
2.100 0.600 0.600 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.86094E-02 ppm1 8.625 ppm2 2.649 CV 1
OR { 2231}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HB ))
ASSI { 2244}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "AAAA" and resid 1 and name HG2 ))
3.700 1.700 1.700 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.25788E-02 ppm1 8.187 ppm2 2.513 CV 1
ASSI { 2250}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "AAAA" and resid 1 and name HB2 ))
2.700 2.700 3.300 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.10885E-01 ppm1 8.180 ppm2 1.993 CV 1
OR { 2250}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "BBBB" and resid 1 and name HB2 ))
ASSI { 2303}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
3.500 1.500 1.500 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.57031E-02 ppm1 9.179 ppm2 1.501 CV 1
OR { 2303}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
ASSI { 2307}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 32 and name HA ))
2.200 0.600 0.600 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.54258E-02 ppm1 9.179 ppm2 5.138 CV 1
OR { 2307}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 32 and name HA ))
ASSI { 2311}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 27 and name HG2 ))
3.300 3.300 2.700 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.25694E-02 ppm1 9.172 ppm2 2.212 CV 1
OR { 2311}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 2311}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 79 and name HB2 ))
ASSI { 2314}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 72 and name HA ))
3.300 1.300 1.300 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.20109E-02 ppm1 9.172 ppm2 4.892 CV 1
OR { 2314}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 72 and name HA ))
OR { 2314}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 34 and name HA ))
ASSI { 2330}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 33 and name HA ))
2.700 0.900 0.900 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.22683E-02 ppm1 9.179 ppm2 5.275 CV 1
OR { 2330}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 33 and name HA ))
ASSI { 2337}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 27 and name HN ))
4.100 2.100 1.900 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.13680E-02 ppm1 9.151 ppm2 9.760 CV 1
OR { 2337}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 27 and name HN ))
ASSI { 2443}
(( segid "AAAA" and resid 98 and name HN ))
(( segid "AAAA" and resid 98 and name HA ))
2.500 0.800 0.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.74696E-02 ppm1 7.880 ppm2 4.071 CV 1
OR { 2443}
(( segid "BBBB" and resid 98 and name HN ))
(( segid "BBBB" and resid 98 and name HA ))
ASSI { 2532}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 78 and name HG2 ))
2.700 0.900 0.900 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.16785E-02 ppm1 10.245 ppm2 1.555 CV 1
OR { 2532}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HG2 ))
ASSI { 2544}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HN ))
3.800 1.800 1.800 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 10.245 ppm2 9.322 CV 1
OR { 2544}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HN ))
ASSI { 2550}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HE3 ))
3.200 3.200 2.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.13375E-02 ppm1 10.245 ppm2 7.654 CV 1
OR { 2550}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HE3 ))
ASSI { 2552}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HD1 ))
3.200 1.300 1.300 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 10.238 ppm2 7.216 CV 1
OR { 2552}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 2552}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HN ))
ASSI { 2563}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HA ))
2.800 2.800 3.200 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.81567E-02 ppm1 10.238 ppm2 3.771 CV 1
OR { 2563}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 2573}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HA ))
3.500 1.500 1.500 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.23260E-02 ppm1 10.238 ppm2 3.962 CV 1
OR { 2573}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 2}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
2.500 2.500 3.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.34654E-01 ppm1 3.561 ppm2 3.685 CV 1
OR { 2}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 2}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 2}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 5}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
1.300 0.200 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.88463E-01 ppm1 2.143 ppm2 2.334 CV 1
OR { 5}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 7}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "BBBB" and resid 3 and name HA ))
1.900 0.500 0.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.32664E-01 ppm1 1.358 ppm2 4.247 CV 1
OR { 7}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "AAAA" and resid 3 and name HA ))
OR { 7}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HA ))
ASSI { 8}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
1.400 0.300 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.64930E-01 ppm1 2.014 ppm2 4.001 CV 1
OR { 8}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 8}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 8}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 8}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 8}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
ASSI { 9}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 53 and name HA ))
2.300 2.300 3.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.32697E-01 ppm1 1.369 ppm2 3.873 CV 1
OR { 9}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 9}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 53 and name HA ))
ASSI { 10}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 25 and name HA1 ))
2.100 2.100 3.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.51146E-01 ppm1 0.807 ppm2 4.171 CV 1
OR { 10}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 10}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 25 and name HA1 ))
ASSI { 11}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "AAAA" and resid 86 and name HA ))
2.100 2.100 3.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.49911E-01 ppm1 1.487 ppm2 4.130 CV 1
OR { 11}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 11}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
ASSI { 12}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 95 and name HA ))
1.800 0.400 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.31445E-01 ppm1 0.865 ppm2 3.995 CV 1
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 95 and name HA ))
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 74 and name HA ))
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 74 and name HB2 ))
OR { 12}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "AAAA" and resid 74 and name HB2 ))
ASSI { 13}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.300 2.300 3.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.21509E-01 ppm1 2.436 ppm2 2.544 CV 1
OR { 13}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 14}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.600 2.600 3.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.98109E-02 ppm1 1.088 ppm2 1.281 CV 1
ASSI { 15}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 63 and name HA ))
2.200 2.200 3.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.27120E-01 ppm1 1.170 ppm2 4.194 CV 1
OR { 15}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 63 and name HA ))
ASSI { 17}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 62 and name HB ))
1.500 0.300 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.31461E-01 ppm1 1.252 ppm2 3.984 CV 1
OR { 17}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 62 and name HB ))
OR { 17}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 55 and name HA ))
OR { 17}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 55 and name HA ))
OR { 17}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 58 and name HA ))
ASSI { 18}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 22 and name HA ))
2.200 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.29942E-01 ppm1 0.830 ppm2 3.837 CV 1
OR { 18}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HA ))
OR { 18}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 31 and name HA2 ))
OR { 18}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 18}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 31 and name HA1 ))
OR { 18}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 21 and name HA ))
ASSI { 20}
(( segid "BBBB" and resid 22 and name HG1 ))
( segid "AAAA" and resid 7 and name HG2%)
6.500 5.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.24024E-01 ppm1 0.807 ppm2 1.403 CV 1
OR { 20}
(( segid "AAAA" and resid 22 and name HG1 ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 21}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HA ))
2.000 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28254E-01 ppm1 1.194 ppm2 4.101 CV 1
OR { 21}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HA ))
OR { 21}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 21}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 21}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 21}
(( segid "BBBB" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 15 and name HA ))
ASSI { 22}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
1.400 0.300 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.29501E-01 ppm1 1.697 ppm2 3.030 CV 1
OR { 22}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
ASSI { 24}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
2.700 2.700 3.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12864E-01 ppm1 3.561 ppm2 3.750 CV 1
OR { 24}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 26}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
3.100 3.100 2.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.49365E-02 ppm1 2.905 ppm2 3.036 CV 1
OR { 26}
(( segid "BBBB" and resid 36 and name HB2 ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 27}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 61 and name HA ))
1.700 0.400 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.48662E-01 ppm1 1.897 ppm2 4.025 CV 1
OR { 27}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 61 and name HA ))
OR { 27}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 27}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 58 and name HA ))
ASSI { 29}
(( segid "AAAA" and resid 82 and name HG2 ))
(( segid "AAAA" and resid 79 and name HA ))
1.600 0.300 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.32198E-01 ppm1 2.319 ppm2 3.984 CV 1
OR { 29}
(( segid "BBBB" and resid 82 and name HG2 ))
(( segid "BBBB" and resid 79 and name HA ))
OR { 29}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 29}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 67 and name HA ))
OR { 29}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 29}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 67 and name HA ))
OR { 29}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 58 and name HA ))
ASSI { 30}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 71 and name HG ))
6.400 5.400 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.12614E-01 ppm1 1.299 ppm2 1.433 CV 1
OR { 30}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 30}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 30}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 61 and name HG2 ))
ASSI { 31}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 18 and name HA ))
2.400 2.400 3.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.19130E-01 ppm1 0.842 ppm2 4.107 CV 1
OR { 31}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 18 and name HA ))
OR { 31}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 76 and name HA ))
OR { 31}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 93 and name HA ))
OR { 31}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 37 and name HA ))
ASSI { 32}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 62 and name HA ))
1.900 1.900 4.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.30087E-01 ppm1 1.252 ppm2 4.218 CV 1
OR { 32}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 62 and name HA ))
OR { 32}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 4 and name HA ))
ASSI { 36}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 59 and name HA ))
1.900 1.900 4.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.24802E-01 ppm1 1.826 ppm2 4.101 CV 1
OR { 36}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 36}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "BBBB" and resid 5 and name HA ))
ASSI { 38}
(( segid "BBBB" and resid 98 and name HA ))
(( segid "BBBB" and resid 97 and name HA ))
3.300 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.23858E-02 ppm1 4.053 ppm2 4.194 CV 1
OR { 38}
(( segid "AAAA" and resid 98 and name HA ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 38}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 62 and name HA ))
OR { 38}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 62 and name HA ))
OR { 38}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 38}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 38}
(( segid "BBBB" and resid 95 and name HA ))
(( segid "BBBB" and resid 97 and name HA ))
ASSI { 39}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 69 and name HA ))
2.600 2.600 3.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15229E-01 ppm1 1.533 ppm2 4.323 CV 1
OR { 39}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 39}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 39}
(( segid "AAAA" and resid 89 and name HD2 ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 39}
(( segid "BBBB" and resid 89 and name HD2 ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 39}
(( segid "AAAA" and resid 78 and name HG2 ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 39}
(( segid "BBBB" and resid 78 and name HG2 ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 39}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 40}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 40 and name HA ))
2.500 2.500 3.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16374E-01 ppm1 1.018 ppm2 3.902 CV 1
OR { 40}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 40 and name HA ))
ASSI { 41}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 9 and name HG ))
2.000 2.000 4.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.24443E-01 ppm1 1.252 ppm2 1.444 CV 1
OR { 41}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 41}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 41}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 61 and name HG2 ))
OR { 41}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 41}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 42}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 22 and name HB ))
2.100 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.12784E-01 ppm1 0.819 ppm2 4.323 CV 1
OR { 42}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HB ))
ASSI { 46}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HG2 ))
2.300 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.22458E-01 ppm1 1.018 ppm2 2.252 CV 1
OR { 46}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 90 and name HG2 ))
ASSI { 49}
(( segid "AAAA" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
1.700 0.300 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.29676E-01 ppm1 1.779 ppm2 4.229 CV 1
OR { 49}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "BBBB" and resid 4 and name HA ))
ASSI { 50}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "AAAA" and resid 53 and name HA ))
1.900 0.500 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.23492E-01 ppm1 2.096 ppm2 3.849 CV 1
OR { 50}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 50}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 50}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 82 and name HA ))
ASSI { 51}
(( segid "AAAA" and resid 97 and name HB2 ))
(( segid "AAAA" and resid 97 and name HA ))
1.900 0.500 0.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.25715E-01 ppm1 1.697 ppm2 4.165 CV 1
OR { 51}
(( segid "BBBB" and resid 97 and name HB2 ))
(( segid "BBBB" and resid 97 and name HA ))
OR { 51}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 51}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 9 and name HA ))
ASSI { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 81 and name HA2 ))
2.200 2.200 3.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.26698E-01 ppm1 1.862 ppm2 3.826 CV 1
OR { 52}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 25 and name HA2 ))
OR { 52}
(( segid "AAAA" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 25 and name HA2 ))
OR { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 52}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 52}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 52}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 52}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 94 and name HA2 ))
ASSI { 54}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 10 and name HA ))
3.500 3.500 2.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.41066E-02 ppm1 1.135 ppm2 3.691 CV 1
OR { 54}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 10 and name HA ))
OR { 54}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 57}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 78 and name HA ))
2.000 2.000 4.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.18917E-01 ppm1 0.748 ppm2 4.007 CV 1
OR { 57}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 78 and name HA ))
ASSI { 58}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 47 and name HA ))
2.300 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15640E-01 ppm1 2.072 ppm2 4.124 CV 1
OR { 58}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 47 and name HA ))
OR { 58}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 58}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 58}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 11 and name HA ))
ASSI { 60}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 96 and name HA ))
2.000 0.500 0.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.25228E-01 ppm1 1.721 ppm2 4.247 CV 1
OR { 60}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 60}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 62}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 96 and name HG2 ))
2.900 2.900 3.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.11908E-01 ppm1 0.830 ppm2 1.550 CV 1
OR { 62}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 96 and name HG2 ))
OR { 62}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 97 and name HD2 ))
OR { 62}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "AAAA" and resid 97 and name HD2 ))
ASSI { 64}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
2.100 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.15164E-01 ppm1 2.319 ppm2 4.107 CV 1
OR { 64}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 64}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 64}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 64}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 64}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 64}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
ASSI { 65}
(( segid "AAAA" and resid 17 and name HB ))
(( segid "AAAA" and resid 17 and name HA ))
2.000 0.500 0.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.13403E-01 ppm1 2.283 ppm2 4.130 CV 1
OR { 65}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 65}
(( segid "AAAA" and resid 8 and name HG2 ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 65}
(( segid "BBBB" and resid 8 and name HG2 ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 65}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
ASSI { 68}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 82 and name HA ))
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.78325E-02 ppm1 3.561 ppm2 3.820 CV 1
OR { 68}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 68}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 68}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 68}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 68}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 81 and name HA1 ))
ASSI { 69}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 83 and name HA ))
2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18393E-01 ppm1 1.498 ppm2 3.960 CV 1
OR { 69}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 83 and name HA ))
OR { 69}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 79 and name HA ))
OR { 69}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 79 and name HA ))
OR { 69}
(( segid "BBBB" and resid 50 and name HG ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 69}
(( segid "AAAA" and resid 50 and name HG ))
(( segid "AAAA" and resid 51 and name HA ))
OR { 69}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 70}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
1.800 0.400 0.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16565E-01 ppm1 2.131 ppm2 4.095 CV 1
OR { 70}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 76 and name HA ))
OR { 70}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 70}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 71}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
2.100 2.100 3.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16709E-01 ppm1 1.779 ppm2 3.545 CV 1
OR { 71}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 71}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 72}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 54 and name HA1 ))
1.600 0.300 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.23643E-01 ppm1 2.143 ppm2 3.990 CV 1
OR { 72}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 54 and name HA1 ))
OR { 72}
(( segid "AAAA" and resid 67 and name HB2 ))
(( segid "AAAA" and resid 67 and name HA ))
ASSI { 73}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 1 and name HA ))
2.600 2.600 3.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10705E-01 ppm1 1.604 ppm2 4.329 CV 1
OR { 73}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 73}
(( segid "BBBB" and resid 13 and name HG11))
(( segid "AAAA" and resid 87 and name HA ))
OR { 73}
(( segid "AAAA" and resid 13 and name HG11))
(( segid "BBBB" and resid 87 and name HA ))
OR { 73}
(( segid "AAAA" and resid 13 and name HG11))
(( segid "BBBB" and resid 12 and name HA ))
ASSI { 74}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 67 and name HA ))
2.000 0.500 0.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.651 ppm2 3.984 CV 1
OR { 74}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 67 and name HA ))
OR { 74}
(( segid "AAAA" and resid 51 and name HD2 ))
(( segid "AAAA" and resid 51 and name HA ))
OR { 74}
(( segid "BBBB" and resid 51 and name HD2 ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 74}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 90 and name HA ))
ASSI { 75}
(( segid "AAAA" and resid 61 and name HD2 ))
(( segid "AAAA" and resid 61 and name HA ))
2.000 0.500 0.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.15340E-01 ppm1 1.686 ppm2 4.013 CV 1
OR { 75}
(( segid "BBBB" and resid 61 and name HD2 ))
(( segid "BBBB" and resid 61 and name HA ))
OR { 75}
(( segid "BBBB" and resid 89 and name HB2 ))
(( segid "BBBB" and resid 89 and name HA ))
OR { 75}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 89 and name HA ))
OR { 75}
(( segid "AAAA" and resid 98 and name HB2 ))
(( segid "AAAA" and resid 98 and name HA ))
OR { 75}
(( segid "BBBB" and resid 98 and name HB2 ))
(( segid "BBBB" and resid 98 and name HA ))
OR { 75}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 75}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 78}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 69 and name HB2 ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12123E-01 ppm1 3.244 ppm2 3.978 CV 1
OR { 78}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 69 and name HB2 ))
OR { 78}
(( segid "BBBB" and resid 26 and name HD2 ))
(( segid "BBBB" and resid 26 and name HA ))
OR { 78}
(( segid "AAAA" and resid 26 and name HD2 ))
(( segid "AAAA" and resid 26 and name HA ))
OR { 78}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 88 and name HG2 ))
2.100 2.100 3.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.15210E-01 ppm1 0.760 ppm2 1.544 CV 1
OR { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 79 and name HG ))
OR { 79}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 82}
(( segid "AAAA" and resid 41 and name HG ))
( segid "BBBB" and resid 7 and name HG2%)
2.500 2.500 3.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.25082E-01 ppm1 0.983 ppm2 1.368 CV 1
OR { 82}
(( segid "BBBB" and resid 41 and name HG ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 85}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.200 2.200 3.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13917E-01 ppm1 0.983 ppm2 1.286 CV 1
ASSI { 88}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 85 and name HA ))
2.000 2.000 4.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.12750E-01 ppm1 0.994 ppm2 3.557 CV 1
OR { 88}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 90}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 4 and name HA ))
2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13893E-01 ppm1 2.190 ppm2 4.276 CV 1
OR { 90}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 4 and name HA ))
OR { 90}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HA ))
OR { 90}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 57 and name HA ))
OR { 90}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 41 and name HA ))
ASSI { 91}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 21 and name HE% )
2.100 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10311E-01 ppm1 6.702 ppm2 7.102 CV 1
OR { 91}
( segid "AAAA" and resid 76 and name HE% )
( segid "AAAA" and resid 21 and name HE% )
OR { 91}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
OR { 91}
( segid "BBBB" and resid 76 and name HE% )
( segid "BBBB" and resid 21 and name HE% )
ASSI { 98}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 87 and name HA ))
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.11206E-01 ppm1 1.920 ppm2 4.270 CV 1
OR { 98}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 99}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 88 and name HA ))
2.100 0.500 0.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.15201E-01 ppm1 1.580 ppm2 4.001 CV 1
OR { 99}
(( segid "BBBB" and resid 88 and name HG2 ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 99}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HA ))
OR { 99}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HA ))
OR { 99}
(( segid "BBBB" and resid 89 and name HD2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 99}
(( segid "AAAA" and resid 89 and name HD2 ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 102}
( segid "AAAA" and resid 73 and name HD% )
( segid "AAAA" and resid 73 and name HE% )
2.100 0.600 0.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.90330E-02 ppm1 6.573 ppm2 7.102 CV 1
OR { 102}
( segid "BBBB" and resid 73 and name HD% )
( segid "BBBB" and resid 73 and name HE% )
OR { 102}
( segid "AAAA" and resid 20 and name HD% )
( segid "AAAA" and resid 20 and name HE% )
OR { 102}
( segid "BBBB" and resid 20 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
ASSI { 105}
(( segid "AAAA" and resid 95 and name HB ))
(( segid "AAAA" and resid 95 and name HA ))
2.200 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.97865E-02 ppm1 1.791 ppm2 4.031 CV 1
OR { 105}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 95 and name HA ))
OR { 105}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 98 and name HA ))
ASSI { 106}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 30 and name HA ))
2.500 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.93506E-02 ppm1 1.885 ppm2 4.405 CV 1
OR { 106}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 30 and name HA ))
ASSI { 107}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.300 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.70815E-02 ppm1 3.772 ppm2 4.036 CV 1
OR { 107}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 43 and name HB ))
OR { 107}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 107}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 107}
(( segid "BBBB" and resid 94 and name HA1 ))
(( segid "AAAA" and resid 74 and name HA ))
ASSI { 108}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 11 and name HA ))
3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.89239E-02 ppm1 2.436 ppm2 4.124 CV 1
OR { 108}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 108}
(( segid "BBBB" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 109}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.000 3.000 3.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.68370E-02 ppm1 2.295 ppm2 2.515 CV 1
OR { 109}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 109}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 113}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 67 and name HB2 ))
2.900 2.900 3.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10527E-01 ppm1 2.037 ppm2 2.176 CV 1
OR { 113}
(( segid "BBBB" and resid 35 and name HB ))
(( segid "BBBB" and resid 67 and name HB2 ))
OR { 113}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 113}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 113}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 113}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 113}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 4 and name HG2 ))
ASSI { 114}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
2.700 2.700 3.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.11627E-01 ppm1 2.049 ppm2 2.187 CV 1
OR { 114}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 40 and name HB2 ))
OR { 114}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 114}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 114}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 114}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
ASSI { 115}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 38 and name HA ))
1.800 0.400 0.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.17078E-01 ppm1 0.983 ppm2 4.183 CV 1
OR { 115}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 116}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 57 and name HA ))
2.400 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.98840E-02 ppm1 2.506 ppm2 4.294 CV 1
OR { 116}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 117}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 87 and name HA ))
3.000 3.000 3.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.69427E-02 ppm1 0.760 ppm2 4.329 CV 1
ASSI { 119}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 24 and name HA ))
4.800 3.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.13630E-01 ppm1 2.061 ppm2 3.674 CV 1
OR { 119}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 24 and name HA ))
ASSI { 120}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 59 and name HA ))
3.100 3.100 2.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.84801E-02 ppm1 2.530 ppm2 4.118 CV 1
OR { 120}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 120}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 59 and name HA ))
ASSI { 121}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.600 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.49114E-02 ppm1 3.807 ppm2 4.101 CV 1
OR { 121}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 43 and name HB ))
OR { 121}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 121}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 17 and name HA ))
OR { 121}
(( segid "AAAA" and resid 94 and name HA1 ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 121}
(( segid "AAAA" and resid 94 and name HA2 ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 121}
(( segid "AAAA" and resid 16 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
ASSI { 122}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.900 2.900 3.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.11101E-01 ppm1 1.721 ppm2 2.814 CV 1
OR { 122}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 122}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 122}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 128}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 6 and name HG ))
2.400 2.400 3.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.15628E-01 ppm1 0.983 ppm2 1.485 CV 1
OR { 128}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 6 and name HG ))
ASSI { 131}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "BBBB" and resid 79 and name HN ))
2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.78060E-02 ppm1 1.428 ppm2 6.857 CV 1
OR { 131}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 79 and name HN ))
ASSI { 134}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
2.000 2.000 4.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18847E-01 ppm1 1.862 ppm2 2.199 CV 1
OR { 134}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 134}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 134}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 134}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 65 and name HB ))
OR { 134}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 65 and name HB ))
ASSI { 135}
( segid "AAAA" and resid 38 and name HD% )
( segid "AAAA" and resid 20 and name HE% )
2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.82446E-02 ppm1 7.006 ppm2 7.114 CV 1
OR { 135}
( segid "BBBB" and resid 38 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
OR { 135}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 20 and name HE% )
OR { 135}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 20 and name HE% )
OR { 135}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 21 and name HE% )
OR { 135}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 21 and name HE% )
ASSI { 136}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 20 and name HE% )
2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.93404E-02 ppm1 6.971 ppm2 7.102 CV 1
OR { 136}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 20 and name HE% )
OR { 136}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 21 and name HE% )
OR { 136}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 21 and name HE% )
ASSI { 137}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 78 and name HD2 ))
2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.14111E-02 ppm1 3.092 ppm2 3.182 CV 1
OR { 137}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 78 and name HD2 ))
ASSI { 138}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 1 and name HA ))
3.100 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.59807E-02 ppm1 1.112 ppm2 4.311 CV 1
OR { 138}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 138}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 41 and name HA ))
ASSI { 139}
( segid "BBBB" and resid 23 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.68316E-02 ppm1 6.854 ppm2 7.079 CV 1
OR { 139}
( segid "AAAA" and resid 23 and name HD% )
( segid "AAAA" and resid 20 and name HE% )
OR { 139}
( segid "AAAA" and resid 76 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
OR { 139}
( segid "BBBB" and resid 76 and name HD% )
( segid "BBBB" and resid 21 and name HE% )
OR { 139}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 75 and name HN ))
OR { 139}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 75 and name HN ))
ASSI { 140}
(( segid "BBBB" and resid 89 and name HB2 ))
(( segid "BBBB" and resid 89 and name HA ))
2.200 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 1.639 ppm2 4.089 CV 1
OR { 140}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 89 and name HA ))
OR { 140}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 140}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 140}
(( segid "BBBB" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 5 and name HA ))
ASSI { 141}
(( segid "AAAA" and resid 18 and name HB1 ))
(( segid "AAAA" and resid 18 and name HA ))
3.200 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 3.889 ppm2 4.066 CV 1
OR { 141}
(( segid "BBBB" and resid 18 and name HB1 ))
(( segid "BBBB" and resid 18 and name HA ))
OR { 141}
(( segid "AAAA" and resid 18 and name HB2 ))
(( segid "AAAA" and resid 18 and name HA ))
OR { 141}
(( segid "BBBB" and resid 18 and name HB2 ))
(( segid "BBBB" and resid 18 and name HA ))
ASSI { 142}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HE2 ))
2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.85808E-02 ppm1 1.604 ppm2 3.176 CV 1
OR { 142}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HE2 ))
ASSI { 143}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "AAAA" and resid 53 and name HA ))
2.300 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.84361E-02 ppm1 2.026 ppm2 3.826 CV 1
OR { 143}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 145}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 23 and name HD% )
3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.69254E-02 ppm1 6.713 ppm2 6.851 CV 1
OR { 145}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 23 and name HD% )
ASSI { 147}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 51 and name HA ))
2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.91547E-02 ppm1 1.346 ppm2 3.960 CV 1
OR { 147}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 51 and name HA ))
ASSI { 149}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.71492E-02 ppm1 1.522 ppm2 3.832 CV 1
OR { 149}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 149}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 149}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 149}
(( segid "AAAA" and resid 96 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 149}
(( segid "BBBB" and resid 96 and name HG2 ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 149}
(( segid "AAAA" and resid 96 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 149}
(( segid "AAAA" and resid 33 and name HG ))
(( segid "AAAA" and resid 21 and name HA ))
ASSI { 150}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.700 2.700 3.300 peak 150 spectrum 1 weight 0.10000E+01 volume 0.13638E-01 ppm1 1.510 ppm2 2.825 CV 1
OR { 150}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 156}
(( segid "AAAA" and resid 33 and name HB2 ))
(( segid "AAAA" and resid 70 and name HG2 ))
2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.47927E-02 ppm1 1.990 ppm2 2.117 CV 1
OR { 156}
(( segid "BBBB" and resid 33 and name HB2 ))
(( segid "BBBB" and resid 70 and name HG2 ))
ASSI { 157}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10024E-02 ppm1 2.248 ppm2 2.357 CV 1
OR { 157}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
OR { 157}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 157}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 157}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 160}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 84 and name HA ))
2.700 2.700 3.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.96472E-02 ppm1 1.580 ppm2 3.551 CV 1
OR { 160}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 160}
(( segid "BBBB" and resid 88 and name HG2 ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 161}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HA ))
2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.86925E-02 ppm1 1.404 ppm2 4.089 CV 1
OR { 161}
(( segid "BBBB" and resid 93 and name HG ))
(( segid "BBBB" and resid 93 and name HA ))
ASSI { 162}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 79 and name HB2 ))
2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.10284E-01 ppm1 1.908 ppm2 2.240 CV 1
OR { 162}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 79 and name HB2 ))
OR { 162}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 162}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
ASSI { 163}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 61 and name HD2 ))
2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.35782E-02 ppm1 1.428 ppm2 1.667 CV 1
OR { 163}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 61 and name HD2 ))
OR { 163}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 46 and name HB2 ))
OR { 163}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 46 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 9 and name HB2 ))
OR { 163}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 9 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HB2 ))
OR { 163}
(( segid "BBBB" and resid 93 and name HG ))
(( segid "BBBB" and resid 93 and name HB2 ))
ASSI { 164}
(( segid "AAAA" and resid 88 and name HD2 ))
(( segid "BBBB" and resid 80 and name HA ))
3.700 3.700 2.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.11131E-02 ppm1 3.115 ppm2 3.235 CV 1
OR { 164}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
OR { 164}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 164}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 164}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 80 and name HA ))
OR { 164}
(( segid "BBBB" and resid 96 and name HD2 ))
(( segid "BBBB" and resid 98 and name HE2 ))
OR { 164}
(( segid "AAAA" and resid 96 and name HD2 ))
(( segid "AAAA" and resid 98 and name HE2 ))
ASSI { 165}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 35 and name HA ))
2.200 0.600 0.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.80991E-02 ppm1 1.674 ppm2 4.405 CV 1
OR { 165}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 35 and name HA ))
OR { 165}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 165}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 168}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 4 and name HA ))
3.200 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.75256E-02 ppm1 2.026 ppm2 4.235 CV 1
OR { 168}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
OR { 168}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 168}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 168}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 44 and name HA ))
ASSI { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
2.600 2.600 3.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.71480E-02 ppm1 1.287 ppm2 3.832 CV 1
OR { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA2 ))
OR { 169}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA1 ))
OR { 169}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 43 and name HA ))
ASSI { 170}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 98 and name HE2 ))
2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66004E-02 ppm1 1.733 ppm2 3.170 CV 1
OR { 170}
(( segid "AAAA" and resid 95 and name HB ))
(( segid "AAAA" and resid 98 and name HE2 ))
OR { 170}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
ASSI { 171}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
2.900 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.56648E-02 ppm1 4.147 ppm2 4.358 CV 1
OR { 171}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 171}
(( segid "BBBB" and resid 15 and name HA ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 171}
(( segid "AAAA" and resid 15 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 171}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 171}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "AAAA" and resid 1 and name HA ))
OR { 171}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 171}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 171}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
ASSI { 174}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 43 and name HA ))
2.000 0.500 0.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.80245E-02 ppm1 1.440 ppm2 3.820 CV 1
OR { 174}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 174}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "BBBB" and resid 94 and name HA1 ))
ASSI { 176}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 51 and name HG2 ))
3.400 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10585E-02 ppm1 1.194 ppm2 1.357 CV 1
OR { 176}
( segid "BBBB" and resid 5 and name HG2%)
( segid "BBBB" and resid 7 and name HG2%)
OR { 176}
( segid "AAAA" and resid 5 and name HG2%)
( segid "AAAA" and resid 7 and name HG2%)
OR { 176}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 51 and name HG2 ))
ASSI { 177}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10955E-01 ppm1 1.779 ppm2 3.317 CV 1
OR { 177}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 21 and name HB2 ))
OR { 177}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 177}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 177}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 177}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 177}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 177}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 179}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 82 and name HG2 ))
2.800 2.800 3.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.98772E-02 ppm1 0.736 ppm2 2.334 CV 1
OR { 179}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 182}
(( segid "BBBB" and resid 35 and name HB ))
(( segid "BBBB" and resid 35 and name HA ))
2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.70579E-02 ppm1 1.967 ppm2 4.405 CV 1
OR { 182}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 35 and name HA ))
OR { 182}
(( segid "AAAA" and resid 10 and name HB2 ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 182}
(( segid "BBBB" and resid 10 and name HB2 ))
(( segid "BBBB" and resid 6 and name HA ))
ASSI { 183}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "BBBB" and resid 6 and name HA ))
2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.71842E-02 ppm1 1.475 ppm2 4.370 CV 1
OR { 183}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 183}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 183}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 183}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 184}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 20 and name HE% )
2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.71535E-02 ppm1 4.170 ppm2 7.102 CV 1
OR { 184}
(( segid "AAAA" and resid 38 and name HA ))
( segid "AAAA" and resid 20 and name HE% )
OR { 184}
(( segid "AAAA" and resid 9 and name HA ))
( segid "BBBB" and resid 21 and name HE% )
ASSI { 188}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 23 and name HA ))
2.200 0.600 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.80132E-02 ppm1 2.752 ppm2 3.978 CV 1
OR { 188}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 23 and name HA ))
ASSI { 189}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 51 and name HE2 ))
3.000 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.87980E-02 ppm1 1.768 ppm2 3.112 CV 1
OR { 189}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 189}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 96 and name HD2 ))
OR { 189}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 96 and name HD2 ))
OR { 189}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 59 and name HD2 ))
ASSI { 190}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 40 and name HA ))
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.55643E-02 ppm1 2.506 ppm2 3.978 CV 1
OR { 190}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 40 and name HA ))
OR { 190}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 190}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 39 and name HA ))
OR { 190}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 190}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 40 and name HA ))
ASSI { 193}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
2.100 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.73403E-02 ppm1 1.803 ppm2 3.170 CV 1
OR { 193}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 29 and name HD2 ))
ASSI { 195}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
2.900 2.900 3.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.10507E-01 ppm1 1.604 ppm2 2.334 CV 1
OR { 195}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
ASSI { 197}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
3.300 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.31659E-02 ppm1 4.030 ppm2 4.300 CV 1
OR { 197}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 197}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "BBBB" and resid 57 and name HA ))
OR { 197}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "AAAA" and resid 57 and name HA ))
OR { 197}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 197}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
ASSI { 198}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 72 and name HB2 ))
3.200 3.200 2.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.98467E-02 ppm1 1.287 ppm2 2.269 CV 1
OR { 198}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 72 and name HB2 ))
ASSI { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 12 and name HA ))
2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.37932E-02 ppm1 2.061 ppm2 4.393 CV 1
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 12 and name HA ))
ASSI { 200}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 75 and name HN ))
3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.68008E-02 ppm1 1.440 ppm2 7.085 CV 1
OR { 200}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 75 and name HN ))
OR { 200}
(( segid "AAAA" and resid 71 and name HG ))
( segid "AAAA" and resid 73 and name HE% )
OR { 200}
(( segid "BBBB" and resid 71 and name HG ))
( segid "BBBB" and resid 73 and name HE% )
OR { 200}
(( segid "AAAA" and resid 83 and name HG ))
( segid "AAAA" and resid 21 and name HE% )
OR { 200}
(( segid "BBBB" and resid 83 and name HG ))
( segid "BBBB" and resid 21 and name HE% )
ASSI { 202}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 1 and name HA ))
2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.57518E-02 ppm1 2.565 ppm2 4.311 CV 1
OR { 202}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 1 and name HA ))
ASSI { 203}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 9 and name HA ))
2.700 2.700 3.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.58135E-02 ppm1 2.119 ppm2 4.206 CV 1
OR { 203}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 9 and name HA ))
ASSI { 204}
(( segid "BBBB" and resid 44 and name HB2 ))
(( segid "BBBB" and resid 44 and name HA ))
2.600 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.49343E-02 ppm1 2.377 ppm2 4.288 CV 1
OR { 204}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 204}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 41 and name HA ))
OR { 204}
(( segid "BBBB" and resid 44 and name HB2 ))
(( segid "BBBB" and resid 41 and name HA ))
OR { 204}
(( segid "BBBB" and resid 44 and name HG2 ))
(( segid "BBBB" and resid 44 and name HA ))
ASSI { 206}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.900 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.85389E-02 ppm1 1.721 ppm2 2.521 CV 1
OR { 206}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 206}
(( segid "BBBB" and resid 60 and name HB2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 206}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 207}
(( segid "BBBB" and resid 49 and name HB2 ))
(( segid "BBBB" and resid 49 and name HA ))
2.600 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.46340E-02 ppm1 1.580 ppm2 4.224 CV 1
OR { 207}
(( segid "AAAA" and resid 49 and name HB2 ))
(( segid "AAAA" and resid 49 and name HA ))
OR { 207}
(( segid "BBBB" and resid 96 and name HG2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 207}
(( segid "AAAA" and resid 96 and name HG2 ))
(( segid "AAAA" and resid 96 and name HA ))
ASSI { 208}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 82 and name HA ))
3.100 3.100 2.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.49680E-02 ppm1 2.342 ppm2 3.832 CV 1
OR { 208}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 208}
(( segid "BBBB" and resid 44 and name HB2 ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 208}
(( segid "BBBB" and resid 37 and name HG2 ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 208}
(( segid "AAAA" and resid 37 and name HG2 ))
(( segid "AAAA" and resid 21 and name HA ))
ASSI { 209}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
2.700 2.700 3.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.46223E-02 ppm1 1.311 ppm2 3.012 CV 1
ASSI { 210}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 98 and name HD2 ))
2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.29745E-02 ppm1 1.299 ppm2 1.638 CV 1
OR { 210}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 98 and name HD2 ))
OR { 210}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 63 and name HB2 ))
ASSI { 211}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 66 and name HB2 ))
2.400 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.50120E-02 ppm1 1.651 ppm2 3.252 CV 1
OR { 211}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 212}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.95052E-02 ppm1 2.858 ppm2 3.814 CV 1
OR { 212}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 212}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA2 ))
ASSI { 213}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 21 and name HE% )
2.900 2.900 3.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.73901E-02 ppm1 1.276 ppm2 7.102 CV 1
OR { 213}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 21 and name HE% )
OR { 213}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 36 and name HN ))
OR { 213}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 36 and name HN ))
OR { 213}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 20 and name HE% )
OR { 213}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 20 and name HE% )
ASSI { 217}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 43 and name HB ))
2.600 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.37725E-02 ppm1 1.112 ppm2 4.095 CV 1
OR { 217}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 43 and name HB ))
ASSI { 221}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 75 and name HN ))
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.41517E-02 ppm1 0.877 ppm2 7.102 CV 1
OR { 221}
( segid "AAAA" and resid 95 and name HG2%)
( segid "BBBB" and resid 73 and name HE% )
OR { 221}
( segid "BBBB" and resid 95 and name HG2%)
( segid "AAAA" and resid 73 and name HE% )
OR { 221}
(( segid "BBBB" and resid 22 and name HG1 ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 222}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.600 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.87671E-02 ppm1 1.475 ppm2 2.316 CV 1
OR { 222}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 222}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 222}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "AAAA" and resid 90 and name HG2 ))
OR { 222}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 222}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 72 and name HB2 ))
OR { 222}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 222}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 222}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 224}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 83 and name HA ))
2.900 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.34203E-02 ppm1 3.561 ppm2 3.949 CV 1
OR { 224}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 83 and name HA ))
OR { 224}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 83 and name HA ))
OR { 224}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 83 and name HA ))
ASSI { 226}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
3.200 1.300 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.61665E-02 ppm1 1.873 ppm2 2.328 CV 1
OR { 226}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 226}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 226}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 226}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 228}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 77 and name HZ3 ))
3.100 3.100 2.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.52237E-02 ppm1 2.811 ppm2 6.582 CV 1
OR { 228}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 77 and name HZ3 ))
OR { 228}
(( segid "AAAA" and resid 76 and name HB2 ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 229}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.56256E-02 ppm1 1.709 ppm2 3.504 CV 1
OR { 229}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 230}
(( segid "AAAA" and resid 38 and name HA ))
( segid "AAAA" and resid 38 and name HD% )
2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.53670E-02 ppm1 4.194 ppm2 7.020 CV 1
OR { 230}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 38 and name HD% )
OR { 230}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 23 and name HE% )
OR { 230}
(( segid "AAAA" and resid 38 and name HA ))
( segid "AAAA" and resid 23 and name HE% )
OR { 230}
(( segid "AAAA" and resid 63 and name HA ))
( segid "AAAA" and resid 38 and name HD% )
ASSI { 231}
(( segid "BBBB" and resid 16 and name HA ))
( segid "BBBB" and resid 21 and name HE% )
3.300 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.44596E-02 ppm1 3.760 ppm2 7.073 CV 1
OR { 231}
(( segid "AAAA" and resid 16 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
OR { 231}
(( segid "AAAA" and resid 28 and name HA2 ))
( segid "AAAA" and resid 73 and name HE% )
OR { 231}
(( segid "BBBB" and resid 28 and name HA2 ))
( segid "BBBB" and resid 73 and name HE% )
OR { 231}
(( segid "AAAA" and resid 28 and name HA1 ))
( segid "AAAA" and resid 73 and name HE% )
ASSI { 233}
(( segid "AAAA" and resid 33 and name HB2 ))
(( segid "AAAA" and resid 70 and name HG2 ))
2.600 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.28387E-02 ppm1 1.955 ppm2 2.070 CV 1
OR { 233}
(( segid "BBBB" and resid 33 and name HB2 ))
(( segid "BBBB" and resid 70 and name HG2 ))
ASSI { 234}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.62633E-02 ppm1 3.069 ppm2 3.328 CV 1
OR { 234}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 234}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 56 and name HA ))
OR { 234}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 56 and name HA ))
OR { 234}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 236}
(( segid "AAAA" and resid 25 and name HA2 ))
(( segid "AAAA" and resid 25 and name HA1 ))
2.600 2.600 3.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 3.889 ppm2 4.153 CV 1
OR { 236}
(( segid "BBBB" and resid 25 and name HA2 ))
(( segid "BBBB" and resid 25 and name HA1 ))
ASSI { 237}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 10 and name HA ))
3.300 1.400 1.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.39579E-02 ppm1 1.709 ppm2 3.703 CV 1
OR { 237}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 237}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 237}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 32 and name HB2 ))
OR { 237}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 238}
(( segid "AAAA" and resid 85 and name HD2 ))
(( segid "AAAA" and resid 82 and name HA ))
3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.47269E-02 ppm1 1.615 ppm2 3.832 CV 1
OR { 238}
(( segid "BBBB" and resid 85 and name HD2 ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 238}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 21 and name HA ))
OR { 238}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 21 and name HA ))
OR { 238}
(( segid "AAAA" and resid 97 and name HD2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 239}
(( segid "BBBB" and resid 21 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50856E-02 ppm1 3.315 ppm2 3.861 CV 1
OR { 239}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 239}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 22 and name HA ))
OR { 239}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 239}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 53 and name HA ))
ASSI { 240}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 47 and name HA ))
3.000 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 2.014 ppm2 4.177 CV 1
OR { 240}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 47 and name HA ))
OR { 240}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 240}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 47 and name HA ))
ASSI { 241}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 59 and name HN ))
2.200 0.600 0.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.50396E-02 ppm1 1.897 ppm2 7.957 CV 1
OR { 241}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 59 and name HN ))
OR { 241}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 87 and name HN ))
OR { 241}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 87 and name HN ))
ASSI { 242}
(( segid "BBBB" and resid 20 and name HB2 ))
( segid "BBBB" and resid 20 and name HD% )
2.600 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.48400E-02 ppm1 3.022 ppm2 6.582 CV 1
OR { 242}
(( segid "AAAA" and resid 20 and name HB2 ))
( segid "AAAA" and resid 20 and name HD% )
OR { 242}
(( segid "BBBB" and resid 73 and name HB2 ))
( segid "BBBB" and resid 73 and name HD% )
OR { 242}
(( segid "AAAA" and resid 73 and name HB2 ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 243}
(( segid "BBBB" and resid 49 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
3.200 3.200 2.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.63202E-02 ppm1 1.580 ppm2 3.352 CV 1
OR { 243}
(( segid "AAAA" and resid 49 and name HB2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
ASSI { 246}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 3 and name HA ))
3.400 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.41196E-02 ppm1 2.764 ppm2 4.288 CV 1
OR { 246}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 3 and name HA ))
OR { 246}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
OR { 246}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 4 and name HA ))
ASSI { 248}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 20 and name HE% )
2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.52638E-02 ppm1 0.983 ppm2 7.102 CV 1
OR { 248}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 20 and name HE% )
ASSI { 252}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
3.700 1.700 1.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.63724E-02 ppm1 3.069 ppm2 3.855 CV 1
OR { 252}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 252}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
ASSI { 253}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 1 and name HG2 ))
2.100 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.44596E-02 ppm1 1.100 ppm2 2.515 CV 1
OR { 253}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 257}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 42 and name HN ))
5.500 3.700 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.34635E-02 ppm1 4.393 ppm2 8.501 CV 1
OR { 257}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 42 and name HN ))
ASSI { 259}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 75 and name HA ))
3.400 1.400 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 4.030 ppm2 4.364 CV 1
OR { 259}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 75 and name HA ))
OR { 259}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 259}
(( segid "AAAA" and resid 89 and name HA ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 259}
(( segid "BBBB" and resid 89 and name HA ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 259}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 259}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "BBBB" and resid 2 and name HA ))
ASSI { 260}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
3.200 1.300 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.53371E-02 ppm1 1.791 ppm2 2.334 CV 1
OR { 260}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 260}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 45 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 260}
(( segid "AAAA" and resid 45 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 260}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 260}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 261}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 46 and name HN ))
3.300 3.300 2.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.33780E-02 ppm1 1.369 ppm2 7.284 CV 1
OR { 261}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "AAAA" and resid 86 and name HN ))
OR { 261}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 86 and name HN ))
ASSI { 264}
(( segid "AAAA" and resid 16 and name HB ))
(( segid "AAAA" and resid 83 and name HA ))
3.000 3.000 3.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.52100E-02 ppm1 2.647 ppm2 3.978 CV 1
OR { 264}
(( segid "BBBB" and resid 16 and name HB ))
(( segid "BBBB" and resid 83 and name HA ))
ASSI { 266}
(( segid "AAAA" and resid 43 and name HG1 ))
( segid "AAAA" and resid 38 and name HD% )
2.900 2.900 3.100 peak 266 spectrum 1 weight 0.10000E+01 volume 0.26529E-02 ppm1 1.100 ppm2 7.020 CV 1
OR { 266}
(( segid "BBBB" and resid 43 and name HG1 ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 267}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 42 and name HN ))
3.200 3.200 2.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.29999E-02 ppm1 1.428 ppm2 8.501 CV 1
OR { 267}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 42 and name HN ))
ASSI { 269}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 15 and name HB ))
3.300 3.300 2.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.37944E-02 ppm1 2.483 ppm2 4.405 CV 1
OR { 269}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 269}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 269}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 15 and name HB ))
ASSI { 271}
(( segid "BBBB" and resid 32 and name HB2 ))
(( segid "BBBB" and resid 32 and name HA ))
2.400 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.27776E-02 ppm1 3.655 ppm2 5.160 CV 1
OR { 271}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 32 and name HA ))
ASSI { 272}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 4 and name HA ))
3.100 1.200 1.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.69596E-02 ppm1 3.092 ppm2 4.229 CV 1
OR { 272}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 4 and name HA ))
OR { 272}
(( segid "BBBB" and resid 96 and name HD2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 272}
(( segid "AAAA" and resid 96 and name HD2 ))
(( segid "AAAA" and resid 96 and name HA ))
ASSI { 275}
(( segid "BBBB" and resid 70 and name HB2 ))
(( segid "BBBB" and resid 70 and name HG2 ))
2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.93433E-02 ppm1 1.791 ppm2 2.047 CV 1
OR { 275}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 70 and name HG2 ))
OR { 275}
(( segid "BBBB" and resid 45 and name HB2 ))
(( segid "BBBB" and resid 53 and name HB ))
OR { 275}
(( segid "AAAA" and resid 45 and name HB2 ))
(( segid "AAAA" and resid 53 and name HB ))
OR { 275}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 82 and name HB2 ))
OR { 275}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 82 and name HB2 ))
OR { 275}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 277}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 16 and name HN ))
2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.46703E-02 ppm1 1.252 ppm2 8.641 CV 1
OR { 277}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 16 and name HN ))
OR { 277}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 9 and name HN ))
OR { 277}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 278}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 38 and name HD% )
2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.49769E-02 ppm1 0.994 ppm2 7.015 CV 1
OR { 278}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 38 and name HD% )
OR { 278}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 279}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
2.900 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.38344E-02 ppm1 1.498 ppm2 3.048 CV 1
OR { 279}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
OR { 279}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 73 and name HB2 ))
OR { 279}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 284}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 42 and name HA ))
2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.31151E-02 ppm1 1.240 ppm2 3.451 CV 1
OR { 284}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 285}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 78 and name HN ))
2.900 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.55515E-02 ppm1 2.319 ppm2 7.254 CV 1
OR { 285}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 285}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 285}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 77 and name HD1 ))
ASSI { 287}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.29299E-02 ppm1 1.451 ppm2 3.551 CV 1
OR { 287}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 287}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 287}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 287}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 288}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.25484E-02 ppm1 1.475 ppm2 3.586 CV 1
OR { 288}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 289}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 17 and name HN ))
2.900 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.43333E-02 ppm1 1.276 ppm2 8.243 CV 1
OR { 289}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 17 and name HN ))
OR { 289}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 97 and name HN ))
OR { 289}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 97 and name HN ))
ASSI { 292}
(( segid "AAAA" and resid 9 and name HG ))
( segid "BBBB" and resid 21 and name HD% )
2.600 2.600 3.400 peak 292 spectrum 1 weight 0.10000E+01 volume 0.46172E-02 ppm1 1.428 ppm2 6.710 CV 1
OR { 292}
(( segid "BBBB" and resid 83 and name HG ))
( segid "BBBB" and resid 21 and name HD% )
OR { 292}
(( segid "AAAA" and resid 83 and name HG ))
( segid "AAAA" and resid 21 and name HD% )
ASSI { 293}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA1 ))
5.900 4.300 0.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.16080E-03 ppm1 3.655 ppm2 3.785 CV 1
OR { 293}
(( segid "BBBB" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 293}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 293}
(( segid "BBBB" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 293}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 28 and name HA2 ))
OR { 293}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 28 and name HA2 ))
OR { 293}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 28 and name HA1 ))
ASSI { 297}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "BBBB" and resid 77 and name HB2 ))
2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.31198E-02 ppm1 1.381 ppm2 3.007 CV 1
OR { 297}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 298}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
2.800 2.800 3.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 3.561 ppm2 4.101 CV 1
OR { 298}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 298}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 298}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 299}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
3.300 3.300 2.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.24628E-02 ppm1 2.072 ppm2 3.545 CV 1
OR { 299}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 299}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 300}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.54868E-02 ppm1 2.881 ppm2 4.083 CV 1
OR { 300}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 76 and name HA ))
OR { 300}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 37 and name HA ))
ASSI { 301}
(( segid "AAAA" and resid 38 and name HB2 ))
( segid "AAAA" and resid 23 and name HE% )
2.100 0.500 0.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.54406E-02 ppm1 3.080 ppm2 7.026 CV 1
OR { 301}
(( segid "BBBB" and resid 38 and name HB2 ))
( segid "BBBB" and resid 23 and name HE% )
OR { 301}
(( segid "BBBB" and resid 38 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
OR { 301}
(( segid "AAAA" and resid 38 and name HB2 ))
( segid "AAAA" and resid 38 and name HD% )
OR { 301}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 20 and name HN ))
ASSI { 302}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 8 and name HA ))
3.400 1.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.41057E-02 ppm1 3.057 ppm2 4.112 CV 1
OR { 302}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 302}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 302}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 17 and name HA ))
OR { 302}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 303}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 85 and name HA ))
6.300 5.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.31177E-02 ppm1 1.369 ppm2 3.568 CV 1
ASSI { 305}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 89 and name HD2 ))
2.600 2.600 3.400 peak 305 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 1.194 ppm2 1.556 CV 1
OR { 305}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HD2 ))
ASSI { 308}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 5 and name HA ))
3.200 3.200 2.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.29162E-02 ppm1 2.752 ppm2 4.118 CV 1
OR { 308}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 308}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 309}
(( segid "AAAA" and resid 34 and name HB2 ))
(( segid "AAAA" and resid 24 and name HA ))
3.700 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 3.420 ppm2 3.679 CV 1
OR { 309}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 309}
(( segid "AAAA" and resid 13 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 309}
(( segid "BBBB" and resid 13 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 310}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 58 and name HG2 ))
3.300 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.57156E-02 ppm1 1.205 ppm2 2.316 CV 1
OR { 310}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 310}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 90 and name HG2 ))
ASSI { 311}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
3.500 1.600 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.27077E-02 ppm1 2.131 ppm2 3.258 CV 1
OR { 311}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 311}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 311}
(( segid "BBBB" and resid 67 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 311}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 312}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 11 and name HN ))
3.400 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 1.487 ppm2 9.279 CV 1
OR { 312}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 11 and name HN ))
OR { 312}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 77 and name HN ))
OR { 312}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 77 and name HN ))
OR { 312}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 77 and name HN ))
OR { 312}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 313}
(( segid "BBBB" and resid 66 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
2.900 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.45998E-02 ppm1 3.221 ppm2 7.026 CV 1
OR { 313}
(( segid "AAAA" and resid 66 and name HB2 ))
( segid "AAAA" and resid 38 and name HD% )
OR { 313}
(( segid "AAAA" and resid 66 and name HB2 ))
( segid "AAAA" and resid 23 and name HE% )
ASSI { 314}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
2.900 1.100 1.100 peak 314 spectrum 1 weight 0.10000E+01 volume 0.46139E-02 ppm1 1.733 ppm2 2.234 CV 1
OR { 314}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 314}
(( segid "BBBB" and resid 60 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 314}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
ASSI { 316}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 41 and name HB2 ))
3.300 3.300 2.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.27752E-02 ppm1 1.205 ppm2 1.608 CV 1
OR { 316}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 50 and name HB2 ))
OR { 316}
(( segid "BBBB" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 13 and name HG11))
OR { 316}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 13 and name HG11))
OR { 316}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 13 and name HG11))
OR { 316}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "AAAA" and resid 13 and name HG11))
OR { 316}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 13 and name HG11))
ASSI { 317}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "AAAA" and resid 48 and name HB2 ))
2.800 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.37095E-02 ppm1 2.084 ppm2 3.311 CV 1
OR { 317}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 317}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 318}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
3.300 3.300 2.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.47342E-02 ppm1 1.862 ppm2 2.855 CV 1
OR { 318}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
OR { 318}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 318}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 320}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 88 and name HB2 ))
3.200 3.200 2.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.37091E-02 ppm1 0.725 ppm2 1.462 CV 1
OR { 320}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HB2 ))
ASSI { 322}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 78 and name HN ))
3.400 3.400 2.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.27157E-02 ppm1 1.463 ppm2 7.254 CV 1
OR { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 322}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HH2 ))
OR { 322}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 77 and name HH2 ))
OR { 322}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 78 and name HN ))
ASSI { 323}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
3.700 1.700 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 2.201 ppm2 2.515 CV 1
OR { 323}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 323}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 324}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 56 and name HA ))
3.300 3.300 2.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.60699E-02 ppm1 2.014 ppm2 3.340 CV 1
OR { 324}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 56 and name HA ))
OR { 324}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 324}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 324}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 48 and name HB2 ))
ASSI { 329}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 14 and name HG2 ))
3.800 1.800 1.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.10549E-02 ppm1 2.084 ppm2 2.445 CV 1
OR { 329}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 14 and name HG2 ))
ASSI { 330}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.500 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.68805E-02 ppm1 1.697 ppm2 2.310 CV 1
OR { 330}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 330}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 72 and name HB2 ))
OR { 330}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 330}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HG2 ))
OR { 330}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 330}
(( segid "BBBB" and resid 89 and name HB2 ))
(( segid "BBBB" and resid 90 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 90 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 330}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 332}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 17 and name HA ))
3.700 1.700 1.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.16026E-02 ppm1 1.756 ppm2 4.095 CV 1
OR { 332}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 17 and name HA ))
OR { 332}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 93 and name HA ))
OR { 332}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 93 and name HA ))
OR { 332}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 332}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 76 and name HA ))
OR { 332}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 76 and name HA ))
ASSI { 333}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.38816E-02 ppm1 1.791 ppm2 2.205 CV 1
OR { 333}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
ASSI { 335}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 7 and name HB ))
2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.23915E-02 ppm1 4.487 ppm2 4.926 CV 1
OR { 335}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 7 and name HB ))
ASSI { 337}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 7 and name HB ))
3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.19260E-02 ppm1 1.428 ppm2 4.926 CV 1
OR { 337}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 7 and name HB ))
ASSI { 343}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 60 and name HA ))
3.200 1.300 1.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 2.237 ppm2 3.328 CV 1
OR { 343}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 60 and name HA ))
OR { 343}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 21 and name HB2 ))
ASSI { 344}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 43 and name HN ))
3.400 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.25726E-02 ppm1 1.487 ppm2 7.957 CV 1
OR { 344}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 43 and name HN ))
OR { 344}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 87 and name HN ))
OR { 344}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 87 and name HN ))
OR { 344}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "AAAA" and resid 87 and name HN ))
OR { 344}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "BBBB" and resid 87 and name HN ))
OR { 344}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 87 and name HN ))
OR { 344}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 87 and name HN ))
ASSI { 346}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 41 and name HB2 ))
3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14738E-02 ppm1 1.088 ppm2 1.608 CV 1
OR { 346}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 350}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.600 1.600 1.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30552E-02 ppm1 1.194 ppm2 2.527 CV 1
OR { 350}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 351}
(( segid "AAAA" and resid 10 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
3.200 3.200 2.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.25522E-02 ppm1 1.979 ppm2 3.522 CV 1
OR { 351}
(( segid "AAAA" and resid 10 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 351}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 351}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 351}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 351}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 351}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 355}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
3.300 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.26560E-02 ppm1 2.319 ppm2 3.305 CV 1
OR { 355}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
ASSI { 356}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 77 and name HA ))
3.000 3.000 3.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.47010E-02 ppm1 1.979 ppm2 3.750 CV 1
OR { 356}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 356}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 55 and name HB2 ))
OR { 356}
(( segid "BBBB" and resid 33 and name HB2 ))
(( segid "BBBB" and resid 28 and name HA2 ))
ASSI { 359}
(( segid "BBBB" and resid 16 and name HB ))
(( segid "AAAA" and resid 9 and name HA ))
2.400 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.37715E-02 ppm1 2.635 ppm2 4.183 CV 1
OR { 359}
(( segid "AAAA" and resid 16 and name HB ))
(( segid "BBBB" and resid 9 and name HA ))
ASSI { 361}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.31824E-02 ppm1 2.037 ppm2 3.264 CV 1
OR { 361}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 361}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 361}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 363}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 54 and name HN ))
4.100 2.100 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 8.448 ppm2 8.571 CV 1
OR { 363}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 54 and name HN ))
ASSI { 366}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HN ))
2.700 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.22811E-02 ppm1 2.260 ppm2 8.243 CV 1
OR { 366}
(( segid "AAAA" and resid 17 and name HB ))
(( segid "AAAA" and resid 17 and name HN ))
ASSI { 367}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HB2 ))
3.900 1.900 1.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.24160E-02 ppm1 0.994 ppm2 2.076 CV 1
OR { 367}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 90 and name HB2 ))
ASSI { 371}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 1 and name HA ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.25230E-02 ppm1 1.229 ppm2 4.364 CV 1
OR { 371}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 1 and name HA ))
OR { 371}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 2 and name HA ))
ASSI { 372}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 53 and name HA ))
4.000 2.000 2.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.28025E-02 ppm1 2.776 ppm2 3.843 CV 1
OR { 372}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 372}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 372}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
ASSI { 374}
(( segid "BBBB" and resid 36 and name HB2 ))
(( segid "BBBB" and resid 36 and name HA ))
3.000 1.200 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 2.881 ppm2 4.452 CV 1
OR { 374}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 36 and name HA ))
ASSI { 375}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 23 and name HE% )
3.100 1.200 1.200 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12551E-02 ppm1 6.702 ppm2 7.020 CV 1
OR { 375}
( segid "BBBB" and resid 21 and name HD% )
( segid "BBBB" and resid 23 and name HE% )
OR { 375}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 20 and name HN ))
OR { 375}
( segid "BBBB" and resid 21 and name HD% )
(( segid "BBBB" and resid 20 and name HN ))
ASSI { 376}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 55 and name HB2 ))
3.200 1.300 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.36774E-02 ppm1 3.479 ppm2 3.738 CV 1
OR { 376}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 55 and name HB2 ))
OR { 376}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 55 and name HB2 ))
OR { 376}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 55 and name HB2 ))
OR { 376}
(( segid "AAAA" and resid 13 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 381}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 63 and name HB2 ))
3.000 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 1.205 ppm2 1.684 CV 1
OR { 381}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 63 and name HB2 ))
OR { 381}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HB2 ))
OR { 381}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 89 and name HB2 ))
OR { 381}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 6 and name HB2 ))
OR { 381}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 6 and name HB2 ))
OR { 381}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 39 and name HD2 ))
ASSI { 383}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA2 ))
3.000 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28919E-02 ppm1 1.709 ppm2 3.855 CV 1
OR { 383}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 31 and name HA2 ))
OR { 383}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA1 ))
OR { 383}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 31 and name HA1 ))
OR { 383}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 92 and name HA ))
ASSI { 386}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 72 and name HD2 ))
3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.32385E-02 ppm1 1.440 ppm2 3.276 CV 1
OR { 386}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 386}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 388}
(( segid "BBBB" and resid 45 and name HG2 ))
(( segid "BBBB" and resid 42 and name HA ))
2.600 0.800 0.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 2.283 ppm2 3.475 CV 1
OR { 388}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 42 and name HA ))
ASSI { 391}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 63 and name HA ))
3.300 1.300 1.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.39572E-02 ppm1 3.315 ppm2 4.206 CV 1
OR { 391}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 63 and name HA ))
OR { 391}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 49 and name HA ))
OR { 391}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 49 and name HA ))
ASSI { 393}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 47 and name HD1 ))
2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.46022E-02 ppm1 2.026 ppm2 3.170 CV 1
OR { 393}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 393}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 47 and name HD1 ))
OR { 393}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 393}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 393}
(( segid "AAAA" and resid 47 and name HB1 ))
(( segid "AAAA" and resid 47 and name HD2 ))
OR { 393}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 47 and name HD2 ))
ASSI { 400}
( segid "BBBB" and resid 80 and name HG2%)
( segid "BBBB" and resid 21 and name HE% )
6.500 1.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 0.783 ppm2 7.102 CV 1
OR { 400}
( segid "AAAA" and resid 80 and name HG2%)
( segid "AAAA" and resid 21 and name HE% )
ASSI { 402}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 53 and name HA ))
2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.47973E-02 ppm1 3.479 ppm2 3.832 CV 1
OR { 402}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 402}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 402}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
ASSI { 405}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 86 and name HN ))
3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16454E-02 ppm1 3.561 ppm2 7.278 CV 1
OR { 405}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 86 and name HN ))
OR { 405}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 86 and name HN ))
ASSI { 406}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 45 and name HE22))
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.28985E-02 ppm1 0.994 ppm2 6.582 CV 1
OR { 406}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 45 and name HE22))
ASSI { 410}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 23 and name HD% )
2.500 2.500 3.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 0.994 ppm2 6.868 CV 1
OR { 410}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 23 and name HD% )
ASSI { 411}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 46 and name HB2 ))
3.800 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.13821E-02 ppm1 1.088 ppm2 1.684 CV 1
OR { 411}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 46 and name HB2 ))
OR { 411}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 39 and name HD2 ))
ASSI { 418}
(( segid "BBBB" and resid 17 and name HA ))
( segid "BBBB" and resid 76 and name HD% )
3.500 3.500 2.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.21273E-02 ppm1 4.135 ppm2 6.880 CV 1
OR { 418}
(( segid "AAAA" and resid 17 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
OR { 418}
(( segid "BBBB" and resid 86 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
OR { 418}
(( segid "AAAA" and resid 86 and name HA ))
( segid "BBBB" and resid 76 and name HD% )
OR { 418}
(( segid "AAAA" and resid 9 and name HA ))
( segid "BBBB" and resid 76 and name HD% )
OR { 418}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 79 and name HN ))
OR { 418}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 79 and name HN ))
OR { 418}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 67 and name HE22))
OR { 418}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 67 and name HE22))
ASSI { 419}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 95 and name HB ))
3.200 1.300 1.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.69345E-03 ppm1 1.311 ppm2 1.760 CV 1
OR { 419}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 95 and name HB ))
OR { 419}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 29 and name HG2 ))
ASSI { 423}
(( segid "AAAA" and resid 13 and name HG12))
(( segid "AAAA" and resid 16 and name HB ))
3.700 1.700 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.24781E-02 ppm1 1.815 ppm2 2.638 CV 1
OR { 423}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 16 and name HB ))
OR { 423}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 16 and name HB ))
ASSI { 427}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 46 and name HA ))
3.600 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 3.209 ppm2 3.463 CV 1
OR { 427}
(( segid "AAAA" and resid 47 and name HD1 ))
(( segid "AAAA" and resid 46 and name HA ))
OR { 427}
(( segid "AAAA" and resid 47 and name HD2 ))
(( segid "AAAA" and resid 46 and name HA ))
OR { 427}
(( segid "BBBB" and resid 47 and name HD2 ))
(( segid "BBBB" and resid 46 and name HA ))
ASSI { 429}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 6 and name HA ))
3.000 1.100 1.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.15149E-02 ppm1 0.983 ppm2 4.370 CV 1
OR { 429}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 429}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "AAAA" and resid 2 and name HA ))
ASSI { 431}
(( segid "BBBB" and resid 22 and name HG1 ))
( segid "BBBB" and resid 21 and name HD% )
4.300 2.300 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.87243E-03 ppm1 0.877 ppm2 6.704 CV 1
OR { 431}
(( segid "AAAA" and resid 22 and name HG1 ))
( segid "AAAA" and resid 21 and name HD% )
OR { 431}
( segid "AAAA" and resid 95 and name HG2%)
( segid "BBBB" and resid 76 and name HE% )
ASSI { 433}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 52 and name HB2 ))
3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.28571E-02 ppm1 2.166 ppm2 2.773 CV 1
OR { 433}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 52 and name HB2 ))
ASSI { 437}
(( segid "BBBB" and resid 80 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
3.600 1.600 1.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.20559E-02 ppm1 3.256 ppm2 3.738 CV 1
OR { 437}
(( segid "AAAA" and resid 80 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 441}
(( segid "AAAA" and resid 72 and name HA ))
(( segid "AAAA" and resid 32 and name HA ))
3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 4.909 ppm2 5.160 CV 1
OR { 441}
(( segid "BBBB" and resid 72 and name HA ))
(( segid "BBBB" and resid 32 and name HA ))
ASSI { 442}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 51 and name HN ))
2.800 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.24744E-02 ppm1 1.791 ppm2 7.102 CV 1
OR { 442}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 51 and name HN ))
OR { 442}
(( segid "BBBB" and resid 29 and name HG2 ))
( segid "BBBB" and resid 73 and name HE% )
OR { 442}
(( segid "AAAA" and resid 29 and name HG2 ))
( segid "AAAA" and resid 73 and name HE% )
OR { 442}
(( segid "BBBB" and resid 13 and name HG12))
( segid "BBBB" and resid 21 and name HE% )
ASSI { 443}
(( segid "AAAA" and resid 36 and name HB2 ))
( segid "AAAA" and resid 23 and name HD% )
3.800 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.27735E-02 ppm1 2.893 ppm2 6.874 CV 1
OR { 443}
(( segid "BBBB" and resid 36 and name HB2 ))
( segid "BBBB" and resid 23 and name HD% )
ASSI { 445}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 59 and name HN ))
3.500 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21073E-02 ppm1 1.205 ppm2 7.933 CV 1
OR { 445}
(( segid "BBBB" and resid 15 and name HG1 ))
(( segid "AAAA" and resid 12 and name HN ))
OR { 445}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 59 and name HN ))
OR { 445}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 12 and name HN ))
OR { 445}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HN ))
OR { 445}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HN ))
ASSI { 450}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 20 and name HN ))
3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 6.573 ppm2 6.974 CV 1
OR { 450}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 20 and name HN ))
OR { 450}
( segid "BBBB" and resid 20 and name HD% )
( segid "BBBB" and resid 23 and name HE% )
ASSI { 451}
(( segid "AAAA" and resid 47 and name HD2 ))
(( segid "AAAA" and resid 44 and name HA ))
3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 3.186 ppm2 4.241 CV 1
OR { 451}
(( segid "BBBB" and resid 47 and name HD2 ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 451}
(( segid "AAAA" and resid 47 and name HD1 ))
(( segid "AAAA" and resid 44 and name HA ))
OR { 451}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 44 and name HA ))
ASSI { 454}
(( segid "BBBB" and resid 31 and name HA1 ))
(( segid "BBBB" and resid 30 and name HA ))
3.900 1.900 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.77583E-03 ppm1 3.889 ppm2 4.411 CV 1
OR { 454}
(( segid "AAAA" and resid 31 and name HA1 ))
(( segid "AAAA" and resid 30 and name HA ))
OR { 454}
(( segid "BBBB" and resid 31 and name HA2 ))
(( segid "BBBB" and resid 30 and name HA ))
OR { 454}
(( segid "AAAA" and resid 31 and name HA2 ))
(( segid "AAAA" and resid 30 and name HA ))
OR { 454}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 454}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 454}
(( segid "AAAA" and resid 31 and name HA2 ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 459}
(( segid "AAAA" and resid 23 and name HB2 ))
( segid "AAAA" and resid 20 and name HE% )
3.100 1.200 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 2.740 ppm2 7.079 CV 1
OR { 459}
(( segid "BBBB" and resid 23 and name HB2 ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 460}
(( segid "AAAA" and resid 67 and name HB2 ))
(( segid "AAAA" and resid 34 and name HB2 ))
3.600 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 2.119 ppm2 3.451 CV 1
OR { 460}
(( segid "BBBB" and resid 67 and name HB2 ))
(( segid "BBBB" and resid 34 and name HB2 ))
OR { 460}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 13 and name HA ))
ASSI { 461}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 63 and name HA ))
2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.21315E-02 ppm1 3.221 ppm2 4.194 CV 1
OR { 461}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 461}
(( segid "AAAA" and resid 47 and name HD1 ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 461}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 47 and name HA ))
OR { 461}
(( segid "AAAA" and resid 47 and name HD2 ))
(( segid "AAAA" and resid 47 and name HA ))
ASSI { 464}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 14 and name HN ))
2.900 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19257E-02 ppm1 2.061 ppm2 8.401 CV 1
OR { 464}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 14 and name HN ))
OR { 464}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "BBBB" and resid 52 and name HN ))
ASSI { 465}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 7 and name HB ))
3.300 1.400 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21087E-02 ppm1 3.080 ppm2 4.932 CV 1
OR { 465}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 7 and name HB ))
OR { 465}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 70 and name HA ))
OR { 465}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 70 and name HA ))
OR { 465}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 70 and name HA ))
OR { 465}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 70 and name HA ))
OR { 465}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
ASSI { 467}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 43 and name HA ))
3.900 1.900 1.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 2.530 ppm2 3.832 CV 1
OR { 467}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 43 and name HA ))
ASSI { 468}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 56 and name HA ))
3.900 1.900 1.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.18898E-02 ppm1 2.506 ppm2 3.328 CV 1
OR { 468}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 56 and name HA ))
OR { 468}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 60 and name HA ))
OR { 468}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 468}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 60 and name HA ))
ASSI { 469}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
3.700 1.700 1.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.13304E-02 ppm1 7.323 ppm2 8.501 CV 1
OR { 469}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
OR { 469}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 42 and name HN ))
ASSI { 470}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HA ))
3.800 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.24178E-02 ppm1 1.205 ppm2 3.328 CV 1
OR { 470}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 60 and name HA ))
OR { 470}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 56 and name HA ))
OR { 470}
(( segid "AAAA" and resid 19 and name HG1 ))
(( segid "AAAA" and resid 21 and name HB2 ))
OR { 470}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 56 and name HA ))
ASSI { 472}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 7 and name HB ))
3.300 1.300 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.24805E-02 ppm1 2.084 ppm2 4.961 CV 1
OR { 472}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 7 and name HB ))
OR { 472}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 70 and name HA ))
OR { 472}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 70 and name HA ))
ASSI { 473}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 53 and name HA ))
3.000 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25694E-02 ppm1 3.420 ppm2 3.837 CV 1
OR { 473}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 53 and name HA ))
OR { 473}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 473}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 473}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 474}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
5.800 4.300 0.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.11904E-03 ppm1 2.905 ppm2 3.106 CV 1
OR { 474}
(( segid "BBBB" and resid 36 and name HB2 ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 475}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 71 and name HA ))
3.900 1.900 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 1.533 ppm2 5.745 CV 1
OR { 475}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 71 and name HA ))
OR { 475}
(( segid "AAAA" and resid 33 and name HG ))
(( segid "AAAA" and resid 71 and name HA ))
OR { 475}
(( segid "BBBB" and resid 33 and name HG ))
(( segid "BBBB" and resid 71 and name HA ))
ASSI { 476}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
3.800 1.800 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.10819E-02 ppm1 3.701 ppm2 4.300 CV 1
OR { 476}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 476}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 476}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 476}
(( segid "BBBB" and resid 54 and name HA2 ))
(( segid "AAAA" and resid 3 and name HA ))
OR { 476}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 69 and name HA ))
OR { 476}
(( segid "BBBB" and resid 32 and name HB2 ))
(( segid "BBBB" and resid 69 and name HA ))
ASSI { 480}
(( segid "AAAA" and resid 37 and name HG2 ))
(( segid "AAAA" and resid 23 and name HB2 ))
3.500 1.600 1.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.17900E-02 ppm1 2.377 ppm2 2.773 CV 1
OR { 480}
(( segid "BBBB" and resid 37 and name HG2 ))
(( segid "BBBB" and resid 23 and name HB2 ))
ASSI { 481}
(( segid "BBBB" and resid 17 and name HA ))
( segid "BBBB" and resid 21 and name HD% )
2.800 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 4.147 ppm2 6.704 CV 1
OR { 481}
(( segid "AAAA" and resid 17 and name HA ))
( segid "AAAA" and resid 21 and name HD% )
ASSI { 483}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 65 and name HB ))
3.700 1.700 1.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 1.194 ppm2 2.199 CV 1
OR { 483}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 65 and name HB ))
OR { 483}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 483}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 483}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 483}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 60 and name HG2 ))
ASSI { 484}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
4.000 2.000 2.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.16302E-02 ppm1 1.311 ppm2 2.182 CV 1
OR { 484}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 484}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 484}
(( segid "AAAA" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 484}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 485}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
4.100 2.100 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 1.885 ppm2 3.018 CV 1
OR { 485}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 73 and name HB2 ))
OR { 485}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 77 and name HB2 ))
OR { 485}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 77 and name HB2 ))
ASSI { 488}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 11 and name HN ))
3.100 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.14528E-02 ppm1 4.123 ppm2 9.285 CV 1
OR { 488}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 11 and name HN ))
OR { 488}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 11 and name HN ))
ASSI { 491}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
4.500 2.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.29724E-03 ppm1 3.057 ppm2 3.252 CV 1
OR { 491}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 493}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 77 and name HA ))
3.600 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13609E-02 ppm1 0.760 ppm2 3.738 CV 1
OR { 493}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 494}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.700 2.700 3.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.18179E-02 ppm1 2.283 ppm2 2.895 CV 1
OR { 494}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
OR { 494}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
OR { 494}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
OR { 494}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
ASSI { 496}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 14 and name HN ))
3.000 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 3.889 ppm2 8.401 CV 1
OR { 496}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 14 and name HN ))
ASSI { 497}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 59 and name HN ))
3.000 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.14191E-02 ppm1 4.123 ppm2 7.945 CV 1
OR { 497}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 59 and name HN ))
OR { 497}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 12 and name HN ))
OR { 497}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 12 and name HN ))
OR { 497}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 87 and name HN ))
OR { 497}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 87 and name HN ))
ASSI { 499}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
3.900 1.900 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.19719E-02 ppm1 1.580 ppm2 2.533 CV 1
OR { 499}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 501}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 23 and name HA ))
5.300 3.500 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.14045E-03 ppm1 3.655 ppm2 3.914 CV 1
OR { 501}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 23 and name HA ))
OR { 501}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 26 and name HA ))
OR { 501}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 26 and name HA ))
OR { 501}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 29 and name HA ))
OR { 501}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 29 and name HA ))
ASSI { 502}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
4.100 2.100 1.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.97069E-03 ppm1 3.737 ppm2 4.118 CV 1
OR { 502}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 502}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 76 and name HA ))
OR { 502}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 502}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 502}
(( segid "AAAA" and resid 55 and name HB2 ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 504}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 2.729 ppm2 3.247 CV 1
OR { 504}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 506}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 13 and name HA ))
3.300 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.86165E-03 ppm1 1.967 ppm2 3.457 CV 1
OR { 506}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "BBBB" and resid 13 and name HA ))
ASSI { 511}
(( segid "BBBB" and resid 10 and name HG2 ))
(( segid "BBBB" and resid 10 and name HA ))
3.500 1.500 1.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.24218E-02 ppm1 2.436 ppm2 3.732 CV 1
OR { 511}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 512}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 79 and name HN ))
3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.16914E-02 ppm1 3.760 ppm2 6.868 CV 1
OR { 512}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 79 and name HN ))
OR { 512}
(( segid "AAAA" and resid 77 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 515}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 44 and name HN ))
2.900 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.25887E-02 ppm1 2.342 ppm2 8.413 CV 1
OR { 515}
(( segid "BBBB" and resid 44 and name HB2 ))
(( segid "BBBB" and resid 44 and name HN ))
ASSI { 516}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 24 and name HN ))
3.400 1.500 1.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 1.721 ppm2 8.501 CV 1
OR { 516}
(( segid "BBBB" and resid 70 and name HB2 ))
(( segid "BBBB" and resid 24 and name HN ))
OR { 516}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "AAAA" and resid 42 and name HN ))
OR { 516}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 37 and name HN ))
OR { 516}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 42 and name HN ))
ASSI { 517}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 20 and name HD% )
3.900 1.900 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 1.276 ppm2 6.587 CV 1
OR { 517}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 20 and name HD% )
ASSI { 521}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 55 and name HA ))
3.000 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 3.127 ppm2 3.966 CV 1
OR { 521}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 55 and name HA ))
OR { 521}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 51 and name HA ))
OR { 521}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 521}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 78 and name HA ))
ASSI { 525}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 54 and name HA2 ))
3.200 1.300 1.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.15319E-02 ppm1 3.069 ppm2 3.750 CV 1
OR { 525}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 55 and name HB2 ))
OR { 525}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 55 and name HB2 ))
OR { 525}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 525}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 527}
(( segid "AAAA" and resid 34 and name HB2 ))
(( segid "AAAA" and resid 34 and name HA ))
2.900 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.18129E-02 ppm1 3.467 ppm2 4.926 CV 1
OR { 527}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
ASSI { 529}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 70 and name HA ))
3.900 1.900 1.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 1.522 ppm2 4.978 CV 1
OR { 529}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 70 and name HA ))
ASSI { 530}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 2 and name HA ))
4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.13645E-02 ppm1 3.057 ppm2 4.382 CV 1
OR { 530}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 530}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 530}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 531}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 1 and name HB2 ))
3.600 1.600 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11560E-02 ppm1 1.088 ppm2 2.018 CV 1
OR { 531}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 1 and name HB2 ))
OR { 531}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 39 and name HB2 ))
ASSI { 532}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "AAAA" and resid 7 and name HA ))
3.300 1.400 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.61719E-03 ppm1 1.416 ppm2 4.493 CV 1
OR { 532}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "BBBB" and resid 7 and name HA ))
OR { 532}
(( segid "BBBB" and resid 49 and name HG ))
(( segid "BBBB" and resid 50 and name HA ))
ASSI { 534}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 39 and name HN ))
2.800 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 1.967 ppm2 8.407 CV 1
OR { 534}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
OR { 534}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 14 and name HN ))
OR { 534}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "BBBB" and resid 14 and name HN ))
OR { 534}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 39 and name HN ))
OR { 534}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
ASSI { 535}
(( segid "AAAA" and resid 13 and name HA ))
(( segid "AAAA" and resid 17 and name HA ))
3.300 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.28703E-02 ppm1 3.467 ppm2 4.165 CV 1
OR { 535}
(( segid "BBBB" and resid 13 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 535}
(( segid "BBBB" and resid 13 and name HA ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 535}
(( segid "AAAA" and resid 13 and name HA ))
(( segid "BBBB" and resid 9 and name HA ))
OR { 535}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 535}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 535}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 535}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 47 and name HA ))
ASSI { 536}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 75 and name HN ))
3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 2.143 ppm2 7.102 CV 1
OR { 536}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 75 and name HN ))
OR { 536}
(( segid "AAAA" and resid 71 and name HB2 ))
( segid "AAAA" and resid 21 and name HE% )
ASSI { 537}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
4.000 2.000 2.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.27955E-03 ppm1 3.115 ppm2 3.311 CV 1
OR { 537}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
OR { 537}
(( segid "AAAA" and resid 59 and name HD2 ))
(( segid "AAAA" and resid 56 and name HA ))
OR { 537}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 56 and name HA ))
ASSI { 542}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 40 and name HG2 ))
1.900 1.900 4.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.32299E-01 ppm1 2.576 ppm2 2.486 CV 1
OR { 542}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
ASSI { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA2 ))
2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.76796E-02 ppm1 3.901 ppm2 3.785 CV 1
OR { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA2 ))
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 92 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 544}
(( segid "BBBB" and resid 92 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 544}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 544}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 544}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 82 and name HA ))
OR { 544}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 544}
(( segid "BBBB" and resid 18 and name HB2 ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 547}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 97 and name HG2 ))
2.300 2.300 3.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.29844E-01 ppm1 1.416 ppm2 1.292 CV 1
OR { 547}
(( segid "BBBB" and resid 93 and name HG ))
(( segid "BBBB" and resid 97 and name HG2 ))
OR { 547}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
OR { 547}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
OR { 547}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 547}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 547}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 98 and name HG2 ))
ASSI { 548}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 40 and name HG2 ))
2.100 2.100 3.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19589E-01 ppm1 2.530 ppm2 2.433 CV 1
OR { 548}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
ASSI { 550}
(( segid "BBBB" and resid 72 and name HG2 ))
( segid "AAAA" and resid 95 and name HG2%)
2.400 2.400 3.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.45838E-01 ppm1 1.697 ppm2 0.830 CV 1
OR { 550}
(( segid "AAAA" and resid 72 and name HG2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 550}
(( segid "BBBB" and resid 98 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 98 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 97 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 550}
(( segid "BBBB" and resid 97 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 551}
(( segid "AAAA" and resid 93 and name HG ))
( segid "AAAA" and resid 95 and name HG2%)
2.200 2.200 3.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.25232E-01 ppm1 1.416 ppm2 0.830 CV 1
OR { 551}
(( segid "BBBB" and resid 93 and name HG ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 552}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 67 and name HB2 ))
1.700 0.400 0.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.27060E-01 ppm1 2.319 ppm2 2.158 CV 1
OR { 552}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 67 and name HB2 ))
OR { 552}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 86 and name HB2 ))
OR { 552}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 553}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 89 and name HG2 ))
2.300 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.20637E-01 ppm1 1.194 ppm2 1.006 CV 1
OR { 553}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 555}
(( segid "AAAA" and resid 96 and name HG2 ))
( segid "AAAA" and resid 95 and name HG2%)
2.100 2.100 3.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.50474E-01 ppm1 1.533 ppm2 0.842 CV 1
OR { 555}
(( segid "BBBB" and resid 96 and name HG2 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 557}
(( segid "AAAA" and resid 46 and name HB2 ))
(( segid "AAAA" and resid 46 and name HG ))
1.800 0.400 0.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.34017E-01 ppm1 1.697 ppm2 1.462 CV 1
OR { 557}
(( segid "BBBB" and resid 46 and name HB2 ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 557}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 557}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 557}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 557}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 557}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 557}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 557}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 557}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 559}
(( segid "BBBB" and resid 97 and name HA ))
(( segid "BBBB" and resid 97 and name HG2 ))
2.300 2.300 3.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.20045E-01 ppm1 4.229 ppm2 1.357 CV 1
OR { 559}
(( segid "AAAA" and resid 97 and name HA ))
(( segid "AAAA" and resid 97 and name HG2 ))
OR { 559}
(( segid "AAAA" and resid 96 and name HA ))
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 560}
(( segid "AAAA" and resid 53 and name HA ))
( segid "BBBB" and resid 7 and name HG2%)
2.300 2.300 3.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.20319E-01 ppm1 3.877 ppm2 1.380 CV 1
OR { 560}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 93 and name HG ))
OR { 560}
(( segid "BBBB" and resid 92 and name HA ))
(( segid "BBBB" and resid 93 and name HG ))
ASSI { 561}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.100 2.100 3.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.21992E-01 ppm1 4.158 ppm2 0.818 CV 1
OR { 561}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 561}
(( segid "AAAA" and resid 25 and name HA1 ))
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 561}
(( segid "BBBB" and resid 25 and name HA1 ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 563}
(( segid "BBBB" and resid 95 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
2.000 0.500 0.500 peak 563 spectrum 1 weight 0.10000E+01 volume 0.22024E-01 ppm1 3.994 ppm2 0.871 CV 1
OR { 563}
(( segid "AAAA" and resid 95 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 563}
(( segid "BBBB" and resid 74 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 563}
(( segid "BBBB" and resid 74 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 563}
(( segid "AAAA" and resid 74 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 564}
(( segid "BBBB" and resid 5 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
2.000 0.500 0.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.24151E-01 ppm1 4.088 ppm2 1.193 CV 1
OR { 564}
(( segid "AAAA" and resid 5 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
OR { 564}
(( segid "AAAA" and resid 86 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
ASSI { 566}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.000 0.500 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.21061E-01 ppm1 4.311 ppm2 0.824 CV 1
OR { 566}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 567}
(( segid "BBBB" and resid 16 and name HA ))
(( segid "BBBB" and resid 19 and name HG1 ))
1.800 0.400 0.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.19750E-01 ppm1 3.819 ppm2 1.210 CV 1
OR { 567}
(( segid "AAAA" and resid 16 and name HA ))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 568}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 58 and name HA ))
2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.40137E-02 ppm1 4.147 ppm2 4.031 CV 1
OR { 568}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 568}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 37 and name HA ))
OR { 568}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 37 and name HA ))
OR { 568}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 61 and name HA ))
OR { 568}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 61 and name HA ))
ASSI { 569}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
2.200 2.200 3.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.32774E-01 ppm1 2.248 ppm2 1.041 CV 1
OR { 569}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
ASSI { 570}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
2.700 2.700 3.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.11173E-01 ppm1 3.725 ppm2 3.551 CV 1
OR { 570}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 570}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 570}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 571}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.500 2.500 3.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.20607E-01 ppm1 1.440 ppm2 1.251 CV 1
OR { 571}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 571}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 19 and name HG1 ))
ASSI { 572}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "BBBB" and resid 40 and name HB2 ))
2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.22903E-01 ppm1 3.901 ppm2 2.252 CV 1
OR { 572}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "AAAA" and resid 40 and name HB2 ))
OR { 572}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 572}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 72 and name HB2 ))
OR { 572}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 572}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 17 and name HB ))
ASSI { 573}
(( segid "AAAA" and resid 62 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.000 0.500 0.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18445E-01 ppm1 4.217 ppm2 1.257 CV 1
OR { 573}
(( segid "BBBB" and resid 62 and name HA ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 579}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 41 and name HG ))
2.200 2.200 3.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.25528E-01 ppm1 1.287 ppm2 0.970 CV 1
OR { 579}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 580}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.15979E-01 ppm1 3.830 ppm2 0.830 CV 1
OR { 580}
(( segid "BBBB" and resid 22 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 580}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 580}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 582}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 82 and name HG2 ))
2.300 2.300 3.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.23541E-01 ppm1 3.994 ppm2 2.334 CV 1
OR { 582}
(( segid "BBBB" and resid 69 and name HB2 ))
(( segid "BBBB" and resid 82 and name HG2 ))
ASSI { 583}
(( segid "BBBB" and resid 62 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
1.900 0.400 0.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15259E-01 ppm1 3.983 ppm2 1.263 CV 1
OR { 583}
(( segid "AAAA" and resid 62 and name HB ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 583}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 583}
(( segid "AAAA" and resid 58 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 583}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 584}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 38 and name HD% )
2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.11398E-01 ppm1 7.100 ppm2 7.003 CV 1
OR { 584}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 38 and name HD% )
OR { 584}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 23 and name HE% )
OR { 584}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 23 and name HE% )
ASSI { 585}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.600 2.600 3.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.13590E-01 ppm1 4.100 ppm2 0.853 CV 1
OR { 585}
(( segid "AAAA" and resid 18 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 585}
(( segid "AAAA" and resid 93 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 585}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 585}
(( segid "BBBB" and resid 93 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 585}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 6 and name HG ))
2.400 2.400 3.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.21491E-01 ppm1 4.123 ppm2 1.491 CV 1
OR { 586}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 586}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 586}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 586}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 586}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 589}
( segid "AAAA" and resid 73 and name HE% )
( segid "AAAA" and resid 73 and name HD% )
2.000 0.500 0.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.11700E-01 ppm1 7.100 ppm2 6.582 CV 1
OR { 589}
( segid "BBBB" and resid 73 and name HE% )
( segid "BBBB" and resid 73 and name HD% )
OR { 589}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 20 and name HD% )
OR { 589}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 20 and name HD% )
ASSI { 590}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
2.900 2.900 3.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.64472E-02 ppm1 3.315 ppm2 1.216 CV 1
OR { 590}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 590}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 19 and name HG1 ))
OR { 590}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 590}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
ASSI { 591}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 63 and name HG ))
2.400 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.13431E-01 ppm1 4.194 ppm2 1.181 CV 1
OR { 591}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 63 and name HG ))
ASSI { 593}
(( segid "BBBB" and resid 96 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
2.600 2.600 3.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.12122E-01 ppm1 4.217 ppm2 0.830 CV 1
OR { 593}
(( segid "AAAA" and resid 96 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 593}
(( segid "BBBB" and resid 97 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 597}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 76 and name HE% )
2.100 0.600 0.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.90369E-02 ppm1 7.100 ppm2 6.704 CV 1
OR { 597}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 21 and name HD% )
OR { 597}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 21 and name HD% )
OR { 597}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 76 and name HE% )
ASSI { 599}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "AAAA" and resid 89 and name HG2 ))
2.400 2.400 3.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.19242E-01 ppm1 1.498 ppm2 0.982 CV 1
OR { 599}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 45 and name HG2 ))
3.100 3.100 2.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 2.506 ppm2 2.310 CV 1
OR { 606}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 606}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 606}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 606}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 608}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HG ))
2.500 2.500 3.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.11149E-01 ppm1 1.369 ppm2 0.988 CV 1
ASSI { 609}
(( segid "AAAA" and resid 78 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
2.300 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.88321E-02 ppm1 4.006 ppm2 0.754 CV 1
OR { 609}
(( segid "BBBB" and resid 78 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
ASSI { 610}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 37 and name HG2 ))
1.900 0.500 0.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15101E-01 ppm1 4.100 ppm2 2.328 CV 1
OR { 610}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 610}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 610}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 611}
(( segid "AAAA" and resid 78 and name HD2 ))
(( segid "AAAA" and resid 68 and name HB2 ))
2.200 0.600 0.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.27344E-02 ppm1 3.209 ppm2 3.100 CV 1
OR { 611}
(( segid "BBBB" and resid 78 and name HD2 ))
(( segid "BBBB" and resid 68 and name HB2 ))
ASSI { 612}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.71304E-02 ppm1 2.002 ppm2 0.982 CV 1
OR { 612}
(( segid "BBBB" and resid 35 and name HB ))
(( segid "BBBB" and resid 41 and name HG ))
OR { 612}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 41 and name HG ))
OR { 612}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
OR { 612}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 614}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 86 and name HN ))
2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.78798E-02 ppm1 7.604 ppm2 7.278 CV 1
OR { 614}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "BBBB" and resid 86 and name HN ))
OR { 614}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 614}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 614}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 614}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 77 and name HD1 ))
ASSI { 615}
(( segid "AAAA" and resid 43 and name HB ))
(( segid "AAAA" and resid 43 and name HA ))
2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.51069E-02 ppm1 4.100 ppm2 3.808 CV 1
OR { 615}
(( segid "BBBB" and resid 43 and name HB ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 615}
(( segid "BBBB" and resid 17 and name HA ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 615}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 615}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 615}
(( segid "BBBB" and resid 76 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 615}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 615}
(( segid "BBBB" and resid 76 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 615}
(( segid "AAAA" and resid 15 and name HA ))
(( segid "AAAA" and resid 16 and name HA ))
ASSI { 617}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 63 and name HG ))
2.400 2.400 3.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.44288E-02 ppm1 3.256 ppm2 1.146 CV 1
OR { 617}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 617}
(( segid "AAAA" and resid 26 and name HD2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 617}
(( segid "AAAA" and resid 26 and name HD2 ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 617}
(( segid "BBBB" and resid 26 and name HD2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
OR { 617}
(( segid "BBBB" and resid 26 and name HD2 ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 620}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
2.300 2.300 3.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11245E-01 ppm1 8.213 ppm2 1.134 CV 1
OR { 620}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 620}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 622}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
3.400 3.400 2.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.82203E-02 ppm1 1.873 ppm2 1.304 CV 1
OR { 622}
(( segid "AAAA" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
OR { 622}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 622}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 624}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 38 and name HA ))
2.400 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 7.100 ppm2 4.171 CV 1
OR { 624}
( segid "AAAA" and resid 23 and name HE% )
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 625}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
3.100 1.200 1.200 peak 625 spectrum 1 weight 0.10000E+01 volume 0.75135E-02 ppm1 3.971 ppm2 3.252 CV 1
OR { 625}
(( segid "BBBB" and resid 69 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 625}
(( segid "BBBB" and resid 26 and name HA ))
(( segid "BBBB" and resid 26 and name HD2 ))
OR { 625}
(( segid "AAAA" and resid 26 and name HA ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 625}
(( segid "BBBB" and resid 67 and name HA ))
(( segid "BBBB" and resid 66 and name HB2 ))
ASSI { 627}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
3.100 1.200 1.200 peak 627 spectrum 1 weight 0.10000E+01 volume 0.10748E-01 ppm1 2.072 ppm2 1.006 CV 1
OR { 627}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
ASSI { 628}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "AAAA" and resid 77 and name HA ))
2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.62860E-02 ppm1 4.030 ppm2 3.779 CV 1
OR { 628}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 628}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 628}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 628}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 628}
(( segid "AAAA" and resid 95 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 628}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 630}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.200 2.200 3.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.85250E-02 ppm1 2.096 ppm2 0.842 CV 1
OR { 630}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 630}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 630}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 630}
(( segid "AAAA" and resid 90 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 630}
(( segid "BBBB" and resid 90 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 630}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 631}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
2.300 2.300 3.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.88123E-02 ppm1 3.549 ppm2 0.994 CV 1
OR { 631}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 632}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 85 and name HG2 ))
2.700 2.700 3.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 4.311 ppm2 1.550 CV 1
OR { 632}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 85 and name HG2 ))
OR { 632}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "BBBB" and resid 13 and name HG11))
OR { 632}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 89 and name HD2 ))
OR { 632}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "BBBB" and resid 89 and name HD2 ))
OR { 632}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "AAAA" and resid 13 and name HG11))
OR { 632}
(( segid "BBBB" and resid 69 and name HA ))
(( segid "BBBB" and resid 78 and name HG2 ))
OR { 632}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 78 and name HG2 ))
OR { 632}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
ASSI { 633}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.000 0.500 0.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15006E-01 ppm1 1.897 ppm2 1.251 CV 1
OR { 633}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 633}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 633}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 634}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 40 and name HG2 ))
3.200 3.200 2.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.10414E-01 ppm1 2.776 ppm2 2.492 CV 1
OR { 634}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
ASSI { 636}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 98 and name HG2 ))
2.300 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.62931E-02 ppm1 1.627 ppm2 1.310 CV 1
OR { 636}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 98 and name HG2 ))
OR { 636}
(( segid "AAAA" and resid 63 and name HB2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 637}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 92 and name HA ))
2.500 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.72166E-02 ppm1 7.604 ppm2 3.861 CV 1
OR { 637}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 92 and name HA ))
OR { 637}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 638}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
2.900 1.100 1.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.57390E-02 ppm1 4.358 ppm2 4.159 CV 1
OR { 638}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 638}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 638}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 638}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 638}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 638}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 63 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 11 and name HA ))
ASSI { 641}
( segid "AAAA" and resid 23 and name HD% )
( segid "AAAA" and resid 21 and name HD% )
2.900 1.100 1.100 peak 641 spectrum 1 weight 0.10000E+01 volume 0.77517E-02 ppm1 6.842 ppm2 6.716 CV 1
OR { 641}
( segid "BBBB" and resid 23 and name HD% )
( segid "BBBB" and resid 21 and name HD% )
ASSI { 643}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
3.500 1.600 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 4.299 ppm2 4.165 CV 1
OR { 643}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 643}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 25 and name HA1 ))
OR { 643}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 643}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 25 and name HA1 ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 643}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "AAAA" and resid 17 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
ASSI { 644}
(( segid "BBBB" and resid 93 and name HN ))
(( segid "BBBB" and resid 90 and name HA ))
2.300 0.700 0.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.71564E-02 ppm1 7.545 ppm2 3.978 CV 1
OR { 644}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 644}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 51 and name HA ))
OR { 644}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
OR { 644}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 62 and name HB ))
OR { 644}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 51 and name HA ))
OR { 644}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 54 and name HA1 ))
OR { 644}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HB2 ))
OR { 644}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HB2 ))
ASSI { 645}
(( segid "AAAA" and resid 46 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
2.900 2.900 3.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.85873E-02 ppm1 7.287 ppm2 1.374 CV 1
OR { 645}
(( segid "BBBB" and resid 46 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
OR { 645}
(( segid "AAAA" and resid 86 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 648}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
3.100 3.100 2.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.71162E-02 ppm1 1.604 ppm2 1.222 CV 1
OR { 648}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 652}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
3.000 3.000 3.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.56690E-02 ppm1 7.534 ppm2 7.249 CV 1
OR { 652}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 652}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HH2 ))
OR { 652}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 652}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 652}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 652}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 653}
(( segid "BBBB" and resid 97 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.48436E-02 ppm1 1.697 ppm2 1.310 CV 1
OR { 653}
(( segid "AAAA" and resid 97 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
OR { 653}
(( segid "AAAA" and resid 98 and name HB2 ))
(( segid "AAAA" and resid 98 and name HG2 ))
OR { 653}
(( segid "BBBB" and resid 98 and name HB2 ))
(( segid "BBBB" and resid 98 and name HG2 ))
OR { 653}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 654}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
2.600 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.64641E-02 ppm1 1.779 ppm2 1.234 CV 1
OR { 654}
(( segid "AAAA" and resid 4 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 655}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 98 and name HG2 ))
2.200 0.600 0.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.68566E-02 ppm1 1.791 ppm2 1.286 CV 1
OR { 655}
(( segid "AAAA" and resid 95 and name HB ))
(( segid "AAAA" and resid 98 and name HG2 ))
ASSI { 656}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 43 and name HG1 ))
3.000 3.000 3.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.39124E-02 ppm1 4.299 ppm2 1.111 CV 1
OR { 656}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 657}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 71 and name HG ))
2.600 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.64054E-02 ppm1 6.854 ppm2 1.439 CV 1
OR { 657}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 71 and name HG ))
OR { 657}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 657}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 80 and name HB ))
ASSI { 658}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
2.900 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.76009E-02 ppm1 7.241 ppm2 2.328 CV 1
OR { 658}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 658}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 658}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 658}
(( segid "AAAA" and resid 77 and name HD1 ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 658}
(( segid "BBBB" and resid 77 and name HH2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 659}
(( segid "AAAA" and resid 18 and name HA ))
(( segid "AAAA" and resid 18 and name HB1 ))
3.200 1.300 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 4.053 ppm2 3.884 CV 1
OR { 659}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 18 and name HB1 ))
OR { 659}
(( segid "AAAA" and resid 18 and name HA ))
(( segid "AAAA" and resid 18 and name HB2 ))
OR { 659}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 18 and name HB2 ))
ASSI { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
2.300 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.77265E-02 ppm1 3.948 ppm2 1.485 CV 1
OR { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 661}
(( segid "AAAA" and resid 79 and name HA ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 661}
(( segid "BBBB" and resid 79 and name HA ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 664}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 14 and name HG2 ))
3.300 1.300 1.300 peak 664 spectrum 1 weight 0.10000E+01 volume 0.48891E-02 ppm1 4.123 ppm2 2.439 CV 1
OR { 664}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
OR { 664}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "BBBB" and resid 10 and name HG2 ))
OR { 664}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "AAAA" and resid 10 and name HG2 ))
ASSI { 666}
(( segid "AAAA" and resid 36 and name HA ))
(( segid "AAAA" and resid 63 and name HG ))
2.800 2.800 3.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.60849E-02 ppm1 4.487 ppm2 1.140 CV 1
OR { 666}
(( segid "BBBB" and resid 36 and name HA ))
(( segid "BBBB" and resid 63 and name HG ))
OR { 666}
(( segid "AAAA" and resid 7 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 669}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.100 3.100 2.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.52115E-02 ppm1 4.112 ppm2 2.533 CV 1
OR { 669}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 669}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 676}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
2.800 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.91478E-02 ppm1 7.932 ppm2 1.169 CV 1
OR { 676}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 676}
(( segid "BBBB" and resid 5 and name HN ))
( segid "BBBB" and resid 5 and name HG2%)
OR { 676}
(( segid "AAAA" and resid 5 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 678}
( segid "BBBB" and resid 20 and name HE% )
( segid "BBBB" and resid 23 and name HD% )
2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.45378E-02 ppm1 7.077 ppm2 6.857 CV 1
OR { 678}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 23 and name HD% )
OR { 678}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 76 and name HD% )
OR { 678}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 76 and name HD% )
OR { 678}
(( segid "BBBB" and resid 75 and name HN ))
( segid "BBBB" and resid 76 and name HD% )
OR { 678}
(( segid "AAAA" and resid 75 and name HN ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 680}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.65309E-02 ppm1 7.018 ppm2 4.194 CV 1
OR { 680}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
OR { 680}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 38 and name HA ))
OR { 680}
( segid "AAAA" and resid 23 and name HE% )
(( segid "AAAA" and resid 38 and name HA ))
OR { 680}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 63 and name HA ))
ASSI { 682}
(( segid "BBBB" and resid 82 and name HA ))
(( segid "BBBB" and resid 82 and name HB2 ))
2.500 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.67585E-02 ppm1 3.842 ppm2 2.106 CV 1
OR { 682}
(( segid "AAAA" and resid 82 and name HA ))
(( segid "AAAA" and resid 82 and name HB2 ))
OR { 682}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 37 and name HB2 ))
OR { 682}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 37 and name HB2 ))
OR { 682}
(( segid "AAAA" and resid 94 and name HA1 ))
(( segid "BBBB" and resid 71 and name HB2 ))
OR { 682}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 70 and name HG2 ))
ASSI { 686}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 60 and name HG2 ))
2.900 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.55793E-02 ppm1 4.264 ppm2 2.205 CV 1
OR { 686}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 686}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 40 and name HB2 ))
OR { 686}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 40 and name HB2 ))
ASSI { 688}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 90 and name HA ))
3.600 1.600 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18599E-02 ppm1 4.299 ppm2 4.036 CV 1
OR { 688}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 688}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 688}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 688}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 688}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 88 and name HA ))
ASSI { 689}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
2.000 0.500 0.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.77751E-02 ppm1 4.182 ppm2 0.994 CV 1
OR { 689}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 690}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 19 and name HG1 ))
3.100 3.100 2.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.39527E-02 ppm1 1.674 ppm2 1.216 CV 1
OR { 690}
(( segid "AAAA" and resid 63 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 690}
(( segid "AAAA" and resid 63 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 690}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 690}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 690}
(( segid "AAAA" and resid 46 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 690}
(( segid "BBBB" and resid 46 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 690}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 692}
(( segid "AAAA" and resid 67 and name HA ))
(( segid "AAAA" and resid 67 and name HB2 ))
2.100 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.76628E-02 ppm1 4.006 ppm2 2.152 CV 1
OR { 692}
(( segid "BBBB" and resid 67 and name HA ))
(( segid "BBBB" and resid 67 and name HB2 ))
ASSI { 693}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
2.900 1.100 1.100 peak 693 spectrum 1 weight 0.10000E+01 volume 0.60047E-02 ppm1 7.545 ppm2 2.328 CV 1
OR { 693}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 693}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 693}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 693}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 694}
(( segid "AAAA" and resid 75 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
2.700 2.700 3.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.69549E-02 ppm1 7.100 ppm2 0.877 CV 1
OR { 694}
( segid "AAAA" and resid 73 and name HE% )
( segid "BBBB" and resid 95 and name HG2%)
OR { 694}
( segid "BBBB" and resid 20 and name HE% )
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 694}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 697}
(( segid "AAAA" and resid 82 and name HG2 ))
( segid "AAAA" and resid 80 and name HG2%)
2.200 2.200 3.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.65008E-02 ppm1 2.330 ppm2 0.742 CV 1
OR { 697}
(( segid "BBBB" and resid 82 and name HG2 ))
( segid "BBBB" and resid 80 and name HG2%)
OR { 697}
(( segid "AAAA" and resid 86 and name HG2 ))
( segid "BBBB" and resid 80 and name HG2%)
ASSI { 698}
(( segid "AAAA" and resid 77 and name HZ3 ))
(( segid "AAAA" and resid 76 and name HB2 ))
3.200 3.200 2.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.50581E-02 ppm1 6.573 ppm2 2.819 CV 1
OR { 698}
( segid "AAAA" and resid 73 and name HD% )
(( segid "AAAA" and resid 76 and name HB2 ))
OR { 698}
( segid "BBBB" and resid 73 and name HD% )
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 699}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
3.400 3.400 2.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.63653E-02 ppm1 2.260 ppm2 1.286 CV 1
OR { 699}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 700}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.500 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.71281E-02 ppm1 4.299 ppm2 2.509 CV 1
OR { 700}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 701}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
3.800 3.800 2.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 4.030 ppm2 3.697 CV 1
OR { 701}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 701}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 701}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 701}
(( segid "AAAA" and resid 95 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 704}
(( segid "AAAA" and resid 85 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
3.500 3.500 2.500 peak 704 spectrum 1 weight 0.10000E+01 volume 0.21942E-02 ppm1 3.537 ppm2 1.199 CV 1
OR { 704}
(( segid "BBBB" and resid 85 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 706}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 78 and name HA ))
2.600 0.800 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.44915E-02 ppm1 7.241 ppm2 3.990 CV 1
OR { 706}
(( segid "AAAA" and resid 77 and name HD1 ))
(( segid "AAAA" and resid 78 and name HA ))
OR { 706}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
OR { 706}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HA ))
ASSI { 707}
(( segid "AAAA" and resid 73 and name HB2 ))
(( segid "BBBB" and resid 97 and name HG2 ))
3.000 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.52260E-02 ppm1 3.010 ppm2 1.333 CV 1
OR { 707}
(( segid "BBBB" and resid 73 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 710}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
2.300 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.55581E-02 ppm1 7.276 ppm2 3.867 CV 1
OR { 710}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HA ))
OR { 710}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 714}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "BBBB" and resid 6 and name HG ))
2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.61223E-02 ppm1 4.346 ppm2 1.474 CV 1
OR { 714}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 714}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 714}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 714}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 79 and name HG ))
ASSI { 716}
(( segid "AAAA" and resid 51 and name HN ))
( segid "BBBB" and resid 5 and name HG2%)
3.200 1.300 1.300 peak 716 spectrum 1 weight 0.10000E+01 volume 0.32898E-02 ppm1 7.135 ppm2 1.146 CV 1
OR { 716}
(( segid "BBBB" and resid 51 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
OR { 716}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 716}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 717}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 50 and name HG ))
5.100 3.600 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.51706E-02 ppm1 2.752 ppm2 1.468 CV 1
OR { 717}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 50 and name HG ))
ASSI { 719}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
2.800 1.000 1.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.48930E-02 ppm1 8.635 ppm2 1.257 CV 1
OR { 719}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 19 and name HG1 ))
OR { 719}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
ASSI { 720}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HG2 ))
3.400 1.500 1.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.31634E-02 ppm1 1.873 ppm2 1.585 CV 1
OR { 720}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HG2 ))
OR { 720}
(( segid "AAAA" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 97 and name HD2 ))
OR { 720}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 97 and name HD2 ))
OR { 720}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 41 and name HB2 ))
OR { 720}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 13 and name HG11))
ASSI { 722}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
2.100 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.50291E-02 ppm1 2.506 ppm2 1.099 CV 1
OR { 722}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 723}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 16 and name HA ))
2.900 1.100 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.41382E-02 ppm1 7.065 ppm2 3.761 CV 1
OR { 723}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 16 and name HA ))
OR { 723}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 16 and name HA ))
OR { 723}
( segid "BBBB" and resid 20 and name HE% )
(( segid "BBBB" and resid 16 and name HA ))
OR { 723}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
OR { 723}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 723}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 77 and name HA ))
OR { 723}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 77 and name HA ))
OR { 723}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 28 and name HA1 ))
OR { 723}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 28 and name HA1 ))
ASSI { 724}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 59 and name HG2 ))
3.400 1.400 1.400 peak 724 spectrum 1 weight 0.10000E+01 volume 0.31288E-02 ppm1 8.518 ppm2 1.193 CV 1
OR { 724}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 726}
(( segid "AAAA" and resid 7 and name HB ))
(( segid "AAAA" and resid 9 and name HG ))
2.800 0.900 0.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.35927E-02 ppm1 4.920 ppm2 1.433 CV 1
OR { 726}
(( segid "BBBB" and resid 7 and name HB ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 726}
(( segid "AAAA" and resid 72 and name HA ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 726}
(( segid "BBBB" and resid 72 and name HA ))
(( segid "BBBB" and resid 71 and name HG ))
ASSI { 729}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 79 and name HG ))
2.800 1.000 1.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.95474E-02 ppm1 2.823 ppm2 1.491 CV 1
OR { 729}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 729}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 729}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
ASSI { 730}
(( segid "BBBB" and resid 94 and name HA1 ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.700 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.69194E-02 ppm1 3.807 ppm2 2.855 CV 1
OR { 730}
(( segid "AAAA" and resid 94 and name HA1 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 730}
(( segid "BBBB" and resid 94 and name HA2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 732}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "AAAA" and resid 74 and name HA ))
3.500 1.500 1.500 peak 732 spectrum 1 weight 0.10000E+01 volume 0.16994E-02 ppm1 4.369 ppm2 4.036 CV 1
OR { 732}
(( segid "BBBB" and resid 75 and name HA ))
(( segid "BBBB" and resid 74 and name HA ))
OR { 732}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 43 and name HB ))
OR { 732}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
OR { 732}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 732}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 732}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 89 and name HA ))
ASSI { 735}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 75 and name HA ))
2.700 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.32776E-02 ppm1 7.604 ppm2 4.376 CV 1
OR { 735}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 75 and name HA ))
ASSI { 738}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
3.400 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.25664E-02 ppm1 4.299 ppm2 3.697 CV 1
OR { 738}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 738}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 54 and name HA2 ))
OR { 738}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 24 and name HA ))
OR { 738}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 24 and name HA ))
OR { 738}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 54 and name HA2 ))
OR { 738}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 738}
(( segid "BBBB" and resid 69 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 740}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 33 and name HB2 ))
3.300 1.300 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.89555E-03 ppm1 2.096 ppm2 1.977 CV 1
OR { 740}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 33 and name HB2 ))
OR { 740}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 10 and name HB2 ))
OR { 740}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 10 and name HB2 ))
ASSI { 741}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
3.400 3.400 2.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.40661E-02 ppm1 9.256 ppm2 1.152 CV 1
OR { 741}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
OR { 741}
(( segid "AAAA" and resid 11 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
OR { 741}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 741}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 746}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
3.200 1.300 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.28450E-02 ppm1 4.487 ppm2 1.433 CV 1
OR { 746}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 746}
(( segid "BBBB" and resid 48 and name HA ))
(( segid "BBBB" and resid 49 and name HG ))
OR { 746}
(( segid "AAAA" and resid 48 and name HA ))
(( segid "AAAA" and resid 49 and name HG ))
ASSI { 749}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 34 and name HB2 ))
4.200 2.200 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 3.666 ppm2 3.416 CV 1
OR { 749}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 34 and name HB2 ))
ASSI { 750}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
3.000 1.200 1.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.35763E-02 ppm1 8.471 ppm2 1.140 CV 1
OR { 750}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
OR { 750}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 751}
(( segid "AAAA" and resid 54 and name HN ))
( segid "BBBB" and resid 5 and name HG2%)
3.300 3.300 2.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.27225E-02 ppm1 8.565 ppm2 1.158 CV 1
OR { 751}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 751}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
OR { 751}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 752}
(( segid "BBBB" and resid 76 and name HA ))
(( segid "BBBB" and resid 71 and name HB2 ))
2.300 0.600 0.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.48627E-02 ppm1 4.088 ppm2 2.135 CV 1
OR { 752}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "AAAA" and resid 71 and name HB2 ))
OR { 752}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 86 and name HB2 ))
OR { 752}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 86 and name HB2 ))
ASSI { 754}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 85 and name HB2 ))
2.000 0.500 0.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.35676E-02 ppm1 3.022 ppm2 1.714 CV 1
OR { 754}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 85 and name HB2 ))
ASSI { 755}
(( segid "AAAA" and resid 25 and name HA1 ))
(( segid "AAAA" and resid 25 and name HA2 ))
2.800 2.800 3.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12551E-02 ppm1 4.158 ppm2 3.890 CV 1
OR { 755}
(( segid "BBBB" and resid 25 and name HA1 ))
(( segid "BBBB" and resid 25 and name HA2 ))
ASSI { 760}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
2.300 0.600 0.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.52682E-02 ppm1 7.534 ppm2 1.474 CV 1
OR { 760}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
ASSI { 761}
(( segid "BBBB" and resid 51 and name HA ))
(( segid "BBBB" and resid 51 and name HG2 ))
3.500 1.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.26512E-02 ppm1 3.948 ppm2 1.368 CV 1
OR { 761}
(( segid "AAAA" and resid 51 and name HA ))
(( segid "AAAA" and resid 51 and name HG2 ))
ASSI { 764}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.36030E-02 ppm1 3.444 ppm2 1.257 CV 1
OR { 764}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 764}
(( segid "BBBB" and resid 20 and name HA ))
(( segid "BBBB" and resid 19 and name HG1 ))
OR { 764}
(( segid "AAAA" and resid 20 and name HA ))
(( segid "AAAA" and resid 19 and name HG1 ))
ASSI { 767}
( segid "BBBB" and resid 21 and name HD% )
(( segid "BBBB" and resid 22 and name HG1 ))
3.200 3.200 2.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.48993E-02 ppm1 6.702 ppm2 0.871 CV 1
OR { 767}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 769}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
3.400 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.17737E-02 ppm1 2.002 ppm2 1.099 CV 1
OR { 769}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 769}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 771}
(( segid "AAAA" and resid 82 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
3.400 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.32649E-02 ppm1 3.819 ppm2 2.345 CV 1
OR { 771}
(( segid "BBBB" and resid 82 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 771}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 771}
(( segid "AAAA" and resid 21 and name HA ))
(( segid "AAAA" and resid 37 and name HG2 ))
OR { 771}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 771}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 771}
(( segid "AAAA" and resid 16 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 773}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 43 and name HG1 ))
3.100 3.100 2.900 peak 773 spectrum 1 weight 0.10000E+01 volume 0.39066E-02 ppm1 7.018 ppm2 1.111 CV 1
OR { 773}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 773}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 774}
( segid "AAAA" and resid 73 and name HE% )
(( segid "BBBB" and resid 97 and name HG2 ))
2.600 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.42678E-02 ppm1 7.100 ppm2 1.286 CV 1
OR { 774}
( segid "BBBB" and resid 73 and name HE% )
(( segid "AAAA" and resid 97 and name HG2 ))
ASSI { 776}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 9 and name HG ))
2.800 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.54436E-02 ppm1 2.307 ppm2 1.474 CV 1
OR { 776}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 776}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 776}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 776}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 776}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 776}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 776}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 776}
(( segid "AAAA" and resid 82 and name HG2 ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 776}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 776}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 50 and name HG ))
OR { 776}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 778}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
2.900 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.38209E-02 ppm1 7.241 ppm2 1.474 CV 1
OR { 778}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 779}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 51 and name HE2 ))
2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.51319E-02 ppm1 3.338 ppm2 3.089 CV 1
OR { 779}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 779}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 779}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
ASSI { 781}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.43518E-02 ppm1 3.819 ppm2 1.439 CV 1
OR { 781}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 46 and name HG ))
ASSI { 783}
(( segid "BBBB" and resid 80 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.38860E-02 ppm1 3.256 ppm2 0.736 CV 1
OR { 783}
(( segid "AAAA" and resid 80 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 785}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
3.100 1.200 1.200 peak 785 spectrum 1 weight 0.10000E+01 volume 0.51480E-02 ppm1 2.061 ppm2 1.497 CV 1
OR { 785}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 785}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 785}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 785}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 785}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "AAAA" and resid 50 and name HG ))
OR { 785}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 85 and name HG2 ))
OR { 785}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 785}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 85 and name HG2 ))
OR { 785}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 788}
(( segid "AAAA" and resid 55 and name HB2 ))
(( segid "AAAA" and resid 46 and name HA ))
3.200 1.300 1.300 peak 788 spectrum 1 weight 0.10000E+01 volume 0.37320E-02 ppm1 3.737 ppm2 3.475 CV 1
OR { 788}
(( segid "BBBB" and resid 55 and name HB2 ))
(( segid "BBBB" and resid 46 and name HA ))
OR { 788}
(( segid "AAAA" and resid 55 and name HB2 ))
(( segid "AAAA" and resid 42 and name HA ))
OR { 788}
(( segid "BBBB" and resid 55 and name HB2 ))
(( segid "BBBB" and resid 42 and name HA ))
OR { 788}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "BBBB" and resid 13 and name HA ))
ASSI { 790}
(( segid "BBBB" and resid 36 and name HA ))
(( segid "BBBB" and resid 36 and name HB2 ))
2.900 1.000 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.27482E-02 ppm1 4.440 ppm2 2.890 CV 1
OR { 790}
(( segid "AAAA" and resid 36 and name HA ))
(( segid "AAAA" and resid 36 and name HB2 ))
ASSI { 792}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
3.100 1.200 1.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.46501E-02 ppm1 7.077 ppm2 1.439 CV 1
OR { 792}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 792}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 71 and name HG ))
OR { 792}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 83 and name HG ))
OR { 792}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 83 and name HG ))
OR { 792}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 793}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 85 and name HA ))
2.600 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.35783E-02 ppm1 7.276 ppm2 3.562 CV 1
OR { 793}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 793}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 793}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 794}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
3.300 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.27445E-02 ppm1 1.721 ppm2 0.988 CV 1
OR { 794}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
OR { 794}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 795}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
3.500 1.600 1.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.34530E-02 ppm1 2.307 ppm2 1.216 CV 1
OR { 795}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
ASSI { 796}
( segid "BBBB" and resid 20 and name HE% )
(( segid "BBBB" and resid 41 and name HG ))
3.100 1.200 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.28436E-02 ppm1 7.100 ppm2 0.988 CV 1
OR { 796}
( segid "AAAA" and resid 20 and name HE% )
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 802}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
3.500 1.500 1.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 3.971 ppm2 2.515 CV 1
OR { 802}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 802}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
OR { 802}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 809}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 22 and name HA ))
3.200 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 4.311 ppm2 3.820 CV 1
OR { 809}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HA ))
ASSI { 810}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 97 and name HD2 ))
2.800 1.000 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 3.162 ppm2 1.602 CV 1
OR { 810}
(( segid "AAAA" and resid 97 and name HE2 ))
(( segid "AAAA" and resid 97 and name HD2 ))
OR { 810}
(( segid "BBBB" and resid 98 and name HE2 ))
(( segid "BBBB" and resid 98 and name HD2 ))
OR { 810}
(( segid "AAAA" and resid 98 and name HE2 ))
(( segid "AAAA" and resid 98 and name HD2 ))
ASSI { 811}
(( segid "BBBB" and resid 77 and name HH2 ))
( segid "AAAA" and resid 95 and name HG2%)
2.300 2.300 3.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.59583E-02 ppm1 7.252 ppm2 0.830 CV 1
OR { 811}
(( segid "AAAA" and resid 78 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 811}
(( segid "AAAA" and resid 77 and name HH2 ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 813}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
2.800 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.28468E-02 ppm1 7.545 ppm2 4.311 CV 1
OR { 813}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 813}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 813}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 814}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 71 and name HG ))
2.700 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.37739E-02 ppm1 2.119 ppm2 1.450 CV 1
OR { 814}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 814}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 818}
(( segid "AAAA" and resid 93 and name HA ))
(( segid "AAAA" and resid 93 and name HG ))
2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.40500E-02 ppm1 4.053 ppm2 1.427 CV 1
OR { 818}
(( segid "BBBB" and resid 93 and name HA ))
(( segid "BBBB" and resid 93 and name HG ))
OR { 818}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
OR { 818}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 818}
(( segid "AAAA" and resid 43 and name HB ))
(( segid "AAAA" and resid 46 and name HG ))
ASSI { 819}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HA ))
3.000 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.29892E-02 ppm1 6.912 ppm2 3.995 CV 1
OR { 819}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
OR { 819}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 74 and name HA ))
OR { 819}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 74 and name HA ))
OR { 819}
( segid "AAAA" and resid 76 and name HD% )
(( segid "BBBB" and resid 95 and name HA ))
ASSI { 820}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "BBBB" and resid 80 and name HA ))
3.200 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.32828E-02 ppm1 7.534 ppm2 3.252 CV 1
OR { 820}
(( segid "BBBB" and resid 88 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 820}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
OR { 820}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
ASSI { 821}
(( segid "BBBB" and resid 48 and name HA ))
(( segid "BBBB" and resid 47 and name HA ))
3.600 1.600 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 4.498 ppm2 4.159 CV 1
OR { 821}
(( segid "AAAA" and resid 48 and name HA ))
(( segid "AAAA" and resid 47 and name HA ))
OR { 821}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 821}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 822}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.36290E-02 ppm1 3.994 ppm2 1.585 CV 1
OR { 822}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
OR { 822}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "AAAA" and resid 89 and name HD2 ))
OR { 822}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 89 and name HD2 ))
OR { 822}
(( segid "BBBB" and resid 95 and name HA ))
(( segid "BBBB" and resid 96 and name HG2 ))
ASSI { 825}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
3.000 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.37840E-02 ppm1 7.018 ppm2 1.000 CV 1
OR { 825}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
OR { 825}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 827}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
3.800 1.800 1.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 1.627 ppm2 1.082 CV 1
OR { 827}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 827}
(( segid "AAAA" and resid 46 and name HB2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 828}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
3.100 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.38118E-02 ppm1 9.268 ppm2 1.497 CV 1
OR { 828}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 828}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 828}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 829}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
2.400 0.700 0.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.48195E-02 ppm1 6.877 ppm2 4.142 CV 1
OR { 829}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 830}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
2.500 0.800 0.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.39201E-02 ppm1 8.237 ppm2 2.264 CV 1
OR { 830}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
ASSI { 836}
( segid "BBBB" and resid 21 and name HD% )
(( segid "BBBB" and resid 17 and name HA ))
2.400 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.37228E-02 ppm1 6.702 ppm2 4.159 CV 1
OR { 836}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 80 and name HB ))
3.400 1.500 1.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 1.932 ppm2 1.439 CV 1
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 837}
(( segid "AAAA" and resid 10 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 837}
(( segid "BBBB" and resid 10 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 842}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.49347E-02 ppm1 9.280 ppm2 4.124 CV 1
OR { 842}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 842}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 843}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
2.400 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.51996E-02 ppm1 7.944 ppm2 4.118 CV 1
OR { 843}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 843}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 843}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 843}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 843}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 845}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.34869E-02 ppm1 8.237 ppm2 4.171 CV 1
OR { 845}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 845}
(( segid "BBBB" and resid 97 and name HN ))
(( segid "BBBB" and resid 97 and name HA ))
OR { 845}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 845}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
ASSI { 846}
(( segid "AAAA" and resid 72 and name HD2 ))
(( segid "AAAA" and resid 71 and name HG ))
3.300 1.400 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.36584E-02 ppm1 3.315 ppm2 1.433 CV 1
OR { 846}
(( segid "BBBB" and resid 72 and name HD2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 846}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
OR { 846}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 61 and name HG2 ))
ASSI { 848}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
3.200 3.200 2.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.31264E-02 ppm1 8.495 ppm2 1.433 CV 1
OR { 848}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
ASSI { 849}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HB2 ))
3.500 1.500 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 1.873 ppm2 1.497 CV 1
OR { 849}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 849}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 79 and name HG ))
ASSI { 851}
(( segid "BBBB" and resid 20 and name HN ))
( segid "BBBB" and resid 20 and name HD% )
3.500 1.500 1.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.20398E-02 ppm1 6.971 ppm2 6.582 CV 1
OR { 851}
(( segid "AAAA" and resid 20 and name HN ))
( segid "AAAA" and resid 20 and name HD% )
OR { 851}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 20 and name HD% )
ASSI { 855}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 36 and name HB2 ))
3.000 1.100 1.100 peak 855 spectrum 1 weight 0.10000E+01 volume 0.37405E-02 ppm1 4.065 ppm2 2.890 CV 1
OR { 855}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 36 and name HB2 ))
OR { 855}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 858}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
3.300 1.300 1.300 peak 858 spectrum 1 weight 0.10000E+01 volume 0.29483E-02 ppm1 7.944 ppm2 1.491 CV 1
OR { 858}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 858}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 858}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 858}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "BBBB" and resid 6 and name HG ))
ASSI { 859}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 14 and name HG2 ))
3.500 3.500 2.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 4.393 ppm2 2.486 CV 1
OR { 859}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
OR { 859}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "BBBB" and resid 14 and name HG2 ))
OR { 859}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 14 and name HG2 ))
OR { 859}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 14 and name HG2 ))
ASSI { 863}
(( segid "AAAA" and resid 95 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
2.900 1.100 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.28535E-02 ppm1 7.534 ppm2 0.830 CV 1
OR { 863}
(( segid "BBBB" and resid 95 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 869}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 39 and name HG2 ))
3.100 3.100 2.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 6.854 ppm2 1.263 CV 1
OR { 869}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 39 and name HG2 ))
OR { 869}
( segid "AAAA" and resid 76 and name HD% )
(( segid "BBBB" and resid 98 and name HG2 ))
ASSI { 870}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.34033E-02 ppm1 3.057 ppm2 1.439 CV 1
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 870}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 870}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 871}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
3.300 1.400 1.400 peak 871 spectrum 1 weight 0.10000E+01 volume 0.37931E-02 ppm1 8.495 ppm2 0.871 CV 1
OR { 871}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 874}
(( segid "BBBB" and resid 30 and name HA ))
(( segid "BBBB" and resid 31 and name HA1 ))
3.400 1.500 1.500 peak 874 spectrum 1 weight 0.10000E+01 volume 0.16320E-02 ppm1 4.405 ppm2 3.890 CV 1
OR { 874}
(( segid "AAAA" and resid 30 and name HA ))
(( segid "AAAA" and resid 31 and name HA1 ))
OR { 874}
(( segid "BBBB" and resid 30 and name HA ))
(( segid "BBBB" and resid 31 and name HA2 ))
OR { 874}
(( segid "AAAA" and resid 30 and name HA ))
(( segid "AAAA" and resid 31 and name HA2 ))
OR { 874}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 14 and name HA ))
OR { 874}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 14 and name HA ))
OR { 874}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "AAAA" and resid 31 and name HA2 ))
OR { 874}
(( segid "BBBB" and resid 75 and name HA ))
(( segid "BBBB" and resid 31 and name HA2 ))
ASSI { 878}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 14 and name HA ))
2.600 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.29270E-02 ppm1 8.401 ppm2 3.890 CV 1
OR { 878}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "AAAA" and resid 14 and name HA ))
ASSI { 881}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
3.400 3.400 2.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.93977E-03 ppm1 3.069 ppm2 2.884 CV 1
OR { 881}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 881}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
OR { 881}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
OR { 881}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
OR { 881}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 882}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
3.500 3.500 2.500 peak 882 spectrum 1 weight 0.10000E+01 volume 0.46354E-03 ppm1 3.104 ppm2 2.890 CV 1
OR { 882}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
ASSI { 883}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
2.700 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.35307E-02 ppm1 7.534 ppm2 4.153 CV 1
OR { 883}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 883}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
OR { 883}
(( segid "AAAA" and resid 64 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 883}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 62 and name HA ))
OR { 883}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 62 and name HA ))
ASSI { 887}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
2.200 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.31440E-02 ppm1 7.299 ppm2 2.340 CV 1
OR { 887}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
ASSI { 892}
(( segid "AAAA" and resid 53 and name HN ))
(( segid "AAAA" and resid 48 and name HB2 ))
3.300 1.300 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.21673E-02 ppm1 7.604 ppm2 3.317 CV 1
OR { 892}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 894}
(( segid "BBBB" and resid 73 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
3.000 3.000 3.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.61805E-02 ppm1 9.526 ppm2 0.865 CV 1
OR { 894}
(( segid "AAAA" and resid 73 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 896}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 20 and name HB2 ))
2.900 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.24656E-02 ppm1 6.573 ppm2 3.024 CV 1
OR { 896}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 20 and name HB2 ))
OR { 896}
( segid "BBBB" and resid 73 and name HD% )
(( segid "BBBB" and resid 73 and name HB2 ))
OR { 896}
( segid "AAAA" and resid 73 and name HD% )
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 899}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
3.500 1.600 1.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.28372E-02 ppm1 6.573 ppm2 4.124 CV 1
OR { 899}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
OR { 899}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 17 and name HA ))
OR { 899}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
2.700 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.32269E-02 ppm1 8.635 ppm2 4.159 CV 1
OR { 901}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 9 and name HA ))
OR { 901}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 901}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 901}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 901}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
ASSI { 906}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
3.400 3.400 2.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.20739E-02 ppm1 4.498 ppm2 0.982 CV 1
OR { 906}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 906}
(( segid "AAAA" and resid 36 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
OR { 906}
(( segid "BBBB" and resid 36 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 907}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
2.900 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.32746E-02 ppm1 8.401 ppm2 4.130 CV 1
OR { 907}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 907}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 907}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 910}
(( segid "BBBB" and resid 7 and name HB ))
(( segid "BBBB" and resid 7 and name HA ))
2.800 1.000 1.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 4.920 ppm2 4.487 CV 1
OR { 910}
(( segid "AAAA" and resid 7 and name HB ))
(( segid "AAAA" and resid 7 and name HA ))
ASSI { 911}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HG1 ))
3.100 3.100 2.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.81894E-03 ppm1 4.381 ppm2 1.181 CV 1
OR { 911}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 911}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 15 and name HG1 ))
OR { 911}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 15 and name HG1 ))
ASSI { 912}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
3.700 1.700 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.17319E-02 ppm1 4.358 ppm2 1.210 CV 1
OR { 912}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 912}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 913}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
2.700 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.31009E-02 ppm1 8.635 ppm2 3.826 CV 1
OR { 913}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
OR { 913}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 913}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 913}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 913}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA1 ))
ASSI { 914}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
3.300 1.400 1.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10655E-02 ppm1 2.190 ppm2 1.216 CV 1
OR { 914}
(( segid "AAAA" and resid 65 and name HB ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 914}
(( segid "BBBB" and resid 65 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
OR { 914}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 914}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 915}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 44 and name HG2 ))
3.600 1.600 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15245E-02 ppm1 4.276 ppm2 2.381 CV 1
OR { 915}
(( segid "AAAA" and resid 44 and name HA ))
(( segid "AAAA" and resid 44 and name HG2 ))
OR { 915}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 44 and name HG2 ))
ASSI { 917}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
3.100 1.200 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.42563E-02 ppm1 8.401 ppm2 2.310 CV 1
OR { 917}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
OR { 917}
(( segid "AAAA" and resid 52 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 917}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
ASSI { 921}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "AAAA" and resid 2 and name HA ))
2.900 1.000 1.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 8.495 ppm2 4.399 CV 1
OR { 921}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "BBBB" and resid 2 and name HA ))
ASSI { 929}
( segid "BBBB" and resid 21 and name HE% )
( segid "BBBB" and resid 80 and name HG2%)
5.400 3.400 2.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20259E-02 ppm1 7.100 ppm2 0.789 CV 1
OR { 929}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 930}
( segid "AAAA" and resid 76 and name HE% )
(( segid "AAAA" and resid 71 and name HG ))
2.800 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.27167E-02 ppm1 6.702 ppm2 1.444 CV 1
OR { 930}
( segid "BBBB" and resid 76 and name HE% )
(( segid "BBBB" and resid 71 and name HG ))
OR { 930}
( segid "BBBB" and resid 21 and name HD% )
(( segid "BBBB" and resid 83 and name HG ))
OR { 930}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 83 and name HG ))
OR { 930}
( segid "AAAA" and resid 76 and name HE% )
(( segid "AAAA" and resid 83 and name HG ))
OR { 930}
( segid "AAAA" and resid 21 and name HD% )
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 932}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 88 and name HB2 ))
3.400 1.400 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 3.537 ppm2 1.450 CV 1
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 932}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 932}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 932}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 88 and name HB2 ))
ASSI { 940}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 49 and name HB2 ))
4.000 2.000 2.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17319E-02 ppm1 3.362 ppm2 1.585 CV 1
OR { 940}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 49 and name HB2 ))
ASSI { 942}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 21 and name HD% )
3.200 1.300 1.300 peak 942 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 7.018 ppm2 6.704 CV 1
OR { 942}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 21 and name HD% )
OR { 942}
(( segid "AAAA" and resid 20 and name HN ))
( segid "AAAA" and resid 21 and name HD% )
OR { 942}
(( segid "BBBB" and resid 20 and name HN ))
( segid "BBBB" and resid 21 and name HD% )
ASSI { 944}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 47 and name HD1 ))
4.000 2.000 2.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.83991E-03 ppm1 3.420 ppm2 3.235 CV 1
OR { 944}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 944}
(( segid "AAAA" and resid 46 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
OR { 944}
(( segid "BBBB" and resid 46 and name HA ))
(( segid "BBBB" and resid 47 and name HD2 ))
ASSI { 946}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
3.400 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.20134E-02 ppm1 7.311 ppm2 4.276 CV 1
OR { 946}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 946}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 946}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 946}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 19 and name HA ))
OR { 946}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
OR { 946}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
ASSI { 947}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 52 and name HN ))
3.700 1.700 1.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.97890E-03 ppm1 8.553 ppm2 8.430 CV 1
OR { 947}
(( segid "AAAA" and resid 54 and name HN ))
(( segid "AAAA" and resid 52 and name HN ))
OR { 947}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
ASSI { 948}
(( segid "BBBB" and resid 23 and name HA ))
(( segid "BBBB" and resid 23 and name HB2 ))
2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.20971E-02 ppm1 3.971 ppm2 2.761 CV 1
OR { 948}
(( segid "AAAA" and resid 23 and name HA ))
(( segid "AAAA" and resid 23 and name HB2 ))
ASSI { 950}
(( segid "AAAA" and resid 72 and name HD2 ))
(( segid "AAAA" and resid 75 and name HB2 ))
4.000 2.000 2.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.19003E-02 ppm1 3.303 ppm2 2.328 CV 1
OR { 950}
(( segid "BBBB" and resid 72 and name HD2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 950}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 950}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 950}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 45 and name HG2 ))
OR { 950}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 45 and name HG2 ))
ASSI { 951}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 3.326 ppm2 2.521 CV 1
OR { 951}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
OR { 951}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
OR { 951}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 952}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
2.800 1.000 1.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.24073E-02 ppm1 7.897 ppm2 3.738 CV 1
OR { 952}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 952}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 952}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 954}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 93 and name HG ))
3.000 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 7.604 ppm2 1.380 CV 1
OR { 954}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 93 and name HG ))
OR { 954}
(( segid "AAAA" and resid 53 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
OR { 954}
(( segid "BBBB" and resid 53 and name HN ))
(( segid "BBBB" and resid 51 and name HG2 ))
ASSI { 955}
(( segid "BBBB" and resid 77 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
3.500 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 3.737 ppm2 0.766 CV 1
OR { 955}
(( segid "AAAA" and resid 77 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 956}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
3.900 1.900 1.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 3.467 ppm2 3.100 CV 1
OR { 956}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 956}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 956}
(( segid "AAAA" and resid 34 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
ASSI { 959}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.56088E-02 ppm1 8.764 ppm2 0.859 CV 1
OR { 959}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 961}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
4.800 2.900 1.200 peak 961 spectrum 1 weight 0.10000E+01 volume 0.11025E-02 ppm1 3.315 ppm2 1.286 CV 1
OR { 961}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 963}
( segid "AAAA" and resid 76 and name HD% )
( segid "BBBB" and resid 95 and name HG2%)
3.200 3.200 2.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.27530E-02 ppm1 6.877 ppm2 0.883 CV 1
ASSI { 964}
(( segid "AAAA" and resid 33 and name HB2 ))
(( segid "AAAA" and resid 33 and name HG ))
3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 2.014 ppm2 1.579 CV 1
OR { 964}
(( segid "BBBB" and resid 33 and name HB2 ))
(( segid "BBBB" and resid 33 and name HG ))
OR { 964}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 33 and name HG ))
OR { 964}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 33 and name HG ))
OR { 964}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 49 and name HB2 ))
OR { 964}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 49 and name HB2 ))
ASSI { 965}
(( segid "AAAA" and resid 52 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
4.000 2.000 2.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.84606E-03 ppm1 4.698 ppm2 1.205 CV 1
OR { 965}
(( segid "BBBB" and resid 52 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 967}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
3.700 1.700 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.19856E-02 ppm1 3.549 ppm2 1.573 CV 1
OR { 967}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
OR { 967}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 967}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 88 and name HG2 ))
ASSI { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
2.900 1.100 1.100 peak 968 spectrum 1 weight 0.10000E+01 volume 0.26042E-02 ppm1 8.084 ppm2 4.007 CV 1
OR { 968}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 968}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "AAAA" and resid 74 and name HA ))
ASSI { 970}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
3.500 1.500 1.500 peak 970 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 6.866 ppm2 1.006 CV 1
OR { 970}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 973}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "BBBB" and resid 2 and name HA ))
3.800 1.800 1.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.18708E-02 ppm1 7.955 ppm2 4.405 CV 1
OR { 973}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 973}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 973}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "AAAA" and resid 6 and name HA ))
OR { 973}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "AAAA" and resid 2 and name HA ))
ASSI { 974}
(( segid "AAAA" and resid 4 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
4.000 2.000 2.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 4.241 ppm2 3.106 CV 1
OR { 974}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 974}
(( segid "BBBB" and resid 96 and name HA ))
(( segid "BBBB" and resid 96 and name HD2 ))
OR { 974}
(( segid "AAAA" and resid 96 and name HA ))
(( segid "AAAA" and resid 96 and name HD2 ))
ASSI { 976}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
4.100 2.200 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.78689E-03 ppm1 4.018 ppm2 3.551 CV 1
OR { 976}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 976}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 976}
(( segid "BBBB" and resid 88 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 976}
(( segid "AAAA" and resid 89 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 977}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
3.400 1.500 1.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.16833E-02 ppm1 8.377 ppm2 1.146 CV 1
OR { 977}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
OR { 977}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
OR { 977}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
OR { 977}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 977}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
OR { 977}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
ASSI { 979}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 22 and name HG1 ))
3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.18637E-02 ppm1 7.018 ppm2 0.877 CV 1
OR { 979}
( segid "AAAA" and resid 23 and name HE% )
(( segid "AAAA" and resid 22 and name HG1 ))
OR { 979}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
OR { 979}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 981}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "AAAA" and resid 41 and name HG ))
3.700 1.700 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 6.573 ppm2 1.000 CV 1
OR { 981}
( segid "AAAA" and resid 20 and name HD% )
(( segid "AAAA" and resid 41 and name HG ))
OR { 981}
( segid "BBBB" and resid 20 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 982}
(( segid "AAAA" and resid 26 and name HD2 ))
(( segid "AAAA" and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 3.244 ppm2 2.720 CV 1
OR { 982}
(( segid "BBBB" and resid 26 and name HD2 ))
(( segid "BBBB" and resid 23 and name HB2 ))
ASSI { 984}
(( segid "AAAA" and resid 48 and name HA ))
(( segid "AAAA" and resid 51 and name HE2 ))
3.500 1.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.21200E-02 ppm1 4.498 ppm2 3.083 CV 1
OR { 984}
(( segid "BBBB" and resid 48 and name HA ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 984}
(( segid "BBBB" and resid 50 and name HA ))
(( segid "BBBB" and resid 51 and name HE2 ))
OR { 984}
(( segid "AAAA" and resid 50 and name HA ))
(( segid "AAAA" and resid 51 and name HE2 ))
OR { 984}
(( segid "BBBB" and resid 36 and name HA ))
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 984}
(( segid "AAAA" and resid 36 and name HA ))
(( segid "AAAA" and resid 38 and name HB2 ))
ASSI { 986}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 80 and name HB ))
2.900 1.000 1.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.20047E-02 ppm1 3.748 ppm2 1.450 CV 1
OR { 986}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 986}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 986}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 991}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 20 and name HD% )
3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.14959E-02 ppm1 7.276 ppm2 6.582 CV 1
OR { 991}
(( segid "AAAA" and resid 21 and name HN ))
( segid "AAAA" and resid 20 and name HD% )
ASSI { 993}
(( segid "BBBB" and resid 47 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.19039E-02 ppm1 4.194 ppm2 3.323 CV 1
OR { 993}
(( segid "AAAA" and resid 47 and name HA ))
(( segid "AAAA" and resid 48 and name HB2 ))
OR { 993}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 60 and name HA ))
OR { 993}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 994}
(( segid "AAAA" and resid 96 and name HA ))
(( segid "AAAA" and resid 96 and name HB2 ))
3.500 1.500 1.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.90600E-03 ppm1 4.252 ppm2 1.731 CV 1
OR { 994}
(( segid "BBBB" and resid 96 and name HA ))
(( segid "BBBB" and resid 96 and name HB2 ))
OR { 994}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 60 and name HB2 ))
ASSI { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
3.400 1.400 1.400 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 4.088 ppm2 3.545 CV 1
OR { 995}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 995}
(( segid "AAAA" and resid 89 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 995}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 995}
(( segid "BBBB" and resid 89 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 996}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
4.200 2.200 1.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.14108E-02 ppm1 8.647 ppm2 1.140 CV 1
OR { 996}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 15 and name HG1 ))
ASSI { 999}
(( segid "BBBB" and resid 64 and name HB2 ))
(( segid "BBBB" and resid 67 and name HG2 ))
3.600 3.600 2.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 2.893 ppm2 2.287 CV 1
OR { 999}
(( segid "AAAA" and resid 64 and name HB2 ))
(( segid "AAAA" and resid 67 and name HG2 ))
ASSI { 1002}
(( segid "BBBB" and resid 8 and name HG2 ))
(( segid "BBBB" and resid 8 and name HB2 ))
4.000 2.000 2.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.24975E-03 ppm1 2.260 ppm2 2.088 CV 1
OR { 1002}
(( segid "AAAA" and resid 8 and name HG2 ))
(( segid "AAAA" and resid 8 and name HB2 ))
OR { 1002}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 90 and name HB2 ))
OR { 1002}
(( segid "AAAA" and resid 90 and name HG2 ))
(( segid "AAAA" and resid 90 and name HB2 ))
ASSI { 1007}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
4.800 2.900 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 2.530 ppm2 1.205 CV 1
OR { 1007}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 1007}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 63 and name HG ))
ASSI { 1010}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
3.100 1.200 1.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 4.358 ppm2 0.994 CV 1
OR { 1010}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 1010}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 1011}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 41 and name HG ))
3.100 3.100 2.900 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.33172E-02 ppm1 8.237 ppm2 0.982 CV 1
OR { 1011}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 1012}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 89 and name HE2 ))
4.600 2.600 1.400 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.89761E-03 ppm1 4.323 ppm2 3.170 CV 1
OR { 1012}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "BBBB" and resid 89 and name HE2 ))
ASSI { 1013}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
3.000 1.100 1.100 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.21843E-02 ppm1 6.854 ppm2 3.761 CV 1
OR { 1013}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
OR { 1013}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 77 and name HA ))
OR { 1013}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1016}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 29 and name HB2 ))
4.500 2.500 1.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.73838E-03 ppm1 2.295 ppm2 1.889 CV 1
OR { 1016}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 29 and name HB2 ))
OR { 1016}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 59 and name HB2 ))
OR { 1016}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 61 and name HB2 ))
OR { 1016}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 61 and name HB2 ))
OR { 1016}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 59 and name HB2 ))
OR { 1016}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 87 and name HB ))
OR { 1016}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 87 and name HB ))
OR { 1016}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 30 and name HB2 ))
ASSI { 1017}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 40 and name HA ))
3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.21277E-02 ppm1 7.909 ppm2 3.978 CV 1
OR { 1017}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 40 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 40 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 55 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 55 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 5 and name HN ))
(( segid "BBBB" and resid 54 and name HA1 ))
OR { 1017}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
OR { 1017}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HA ))
OR { 1017}
(( segid "BBBB" and resid 67 and name HE21))
(( segid "BBBB" and resid 67 and name HA ))
ASSI { 1018}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 76 and name HB2 ))
3.300 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.25698E-02 ppm1 7.276 ppm2 2.831 CV 1
OR { 1018}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 1019}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 80 and name HA ))
3.800 1.800 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 3.737 ppm2 3.258 CV 1
OR { 1019}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 80 and name HA ))
ASSI { 1020}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
4.100 2.100 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 8.670 ppm2 3.697 CV 1
OR { 1020}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 1020}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
OR { 1020}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 10 and name HA ))
ASSI { 1022}
( segid "BBBB" and resid 21 and name HE% )
(( segid "BBBB" and resid 21 and name HB2 ))
3.300 1.400 1.400 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 7.100 ppm2 3.328 CV 1
OR { 1022}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 1022}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 21 and name HB2 ))
OR { 1022}
( segid "BBBB" and resid 73 and name HE% )
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 1023}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HA ))
2.700 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 7.920 ppm2 3.826 CV 1
OR { 1023}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 1023}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
ASSI { 1024}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 80 and name HA ))
3.900 1.900 1.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.65040E-03 ppm1 3.561 ppm2 3.252 CV 1
OR { 1024}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HA ))
ASSI { 1029}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
4.400 2.400 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.78016E-03 ppm1 8.752 ppm2 1.158 CV 1
OR { 1029}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 1032}
(( segid "BBBB" and resid 32 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 5.155 ppm2 3.674 CV 1
OR { 1032}
(( segid "AAAA" and resid 32 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
ASSI { 1033}
(( segid "AAAA" and resid 96 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
3.700 1.800 1.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.15066E-02 ppm1 8.155 ppm2 0.830 CV 1
OR { 1033}
(( segid "BBBB" and resid 96 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 1034}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 72 and name HB2 ))
2.500 0.800 0.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.19874E-02 ppm1 7.100 ppm2 2.275 CV 1
OR { 1034}
( segid "BBBB" and resid 73 and name HE% )
(( segid "BBBB" and resid 72 and name HB2 ))
OR { 1034}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 1034}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 1035}
( segid "AAAA" and resid 23 and name HE% )
(( segid "AAAA" and resid 38 and name HB2 ))
2.600 2.600 3.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 7.018 ppm2 3.089 CV 1
OR { 1035}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 1035}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 1035}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 38 and name HB2 ))
OR { 1035}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
ASSI { 1037}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "BBBB" and resid 72 and name HG2 ))
4.500 2.500 1.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.52944E-03 ppm1 1.826 ppm2 1.737 CV 1
OR { 1037}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "BBBB" and resid 97 and name HB2 ))
OR { 1037}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 97 and name HB2 ))
OR { 1037}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 60 and name HB2 ))
OR { 1037}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 60 and name HB2 ))
OR { 1037}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 72 and name HG2 ))
ASSI { 1041}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 52 and name HB2 ))
4.200 2.200 1.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 4.287 ppm2 2.773 CV 1
OR { 1041}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 52 and name HB2 ))
OR { 1041}
(( segid "AAAA" and resid 4 and name HA ))
(( segid "BBBB" and resid 52 and name HB2 ))
OR { 1041}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 52 and name HB2 ))
ASSI { 1044}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
3.100 1.200 1.200 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 3.069 ppm2 0.994 CV 1
OR { 1044}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 1049}
(( segid "AAAA" and resid 44 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
3.500 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.79505E-03 ppm1 4.241 ppm2 3.176 CV 1
OR { 1049}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 1049}
(( segid "AAAA" and resid 44 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 1049}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 47 and name HD1 ))
ASSI { 1052}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 60 and name HG2 ))
3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 3.326 ppm2 2.240 CV 1
OR { 1052}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 1052}
(( segid "BBBB" and resid 21 and name HB2 ))
(( segid "BBBB" and resid 17 and name HB ))
ASSI { 1055}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
3.900 1.900 1.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.13681E-02 ppm1 7.241 ppm2 4.317 CV 1
OR { 1055}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 1055}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 1055}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 69 and name HA ))
ASSI { 1057}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
3.900 1.900 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 8.694 ppm2 1.134 CV 1
ASSI { 1058}
(( segid "AAAA" and resid 23 and name HN ))
( segid "AAAA" and resid 21 and name HD% )
3.800 1.800 1.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.18720E-02 ppm1 7.405 ppm2 6.763 CV 1
OR { 1058}
(( segid "BBBB" and resid 23 and name HN ))
( segid "BBBB" and resid 21 and name HD% )
ASSI { 1059}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HG2 ))
2.500 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.24719E-02 ppm1 7.920 ppm2 2.316 CV 1
OR { 1059}
(( segid "BBBB" and resid 67 and name HE21))
(( segid "BBBB" and resid 67 and name HG2 ))
OR { 1059}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 1059}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 1059}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HB2 ))
ASSI { 1061}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 45 and name HG2 ))
2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 3.467 ppm2 2.293 CV 1
OR { 1061}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 45 and name HG2 ))
ASSI { 1062}
(( segid "BBBB" and resid 77 and name HN ))
( segid "BBBB" and resid 80 and name HG2%)
3.600 3.600 2.400 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 9.268 ppm2 0.777 CV 1
OR { 1062}
(( segid "AAAA" and resid 77 and name HN ))
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 1065}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
2.800 1.000 1.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.16958E-02 ppm1 8.635 ppm2 8.243 CV 1
OR { 1065}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 17 and name HN ))
ASSI { 1066}
(( segid "AAAA" and resid 50 and name HA ))
(( segid "AAAA" and resid 48 and name HB2 ))
3.300 3.300 2.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.14824E-02 ppm1 4.510 ppm2 3.364 CV 1
OR { 1066}
(( segid "BBBB" and resid 50 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
!NEW TEMPLATE NOE TABLE(RUN13.TBL)
ASSI { 261}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 25 and name HA2 ))
2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 7.462 ppm2 3.853 CV 1
ASSI { 264}
(( segid "BBBB" and resid 25 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
2.500 2.500 3.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.66245E-03 ppm1 7.462 ppm2 2.020 CV 1
ASSI { 266}
(( segid "BBBB" and resid 25 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
2.100 2.100 3.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 7.469 ppm2 7.080 CV 1
OR { 266}
(( segid "BBBB" and resid 25 and name HN ))
( segid "BBBB" and resid 23 and name HE% )
ASSI { 283}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
2.100 0.600 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.18386E-02 ppm1 7.462 ppm2 8.447 CV 1
ASSI { 299}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
2.700 2.700 3.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.41084E-03 ppm1 8.290 ppm2 3.005 CV 1
ASSI { 301}
(( segid "BBBB" and resid 31 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
2.600 2.600 3.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11753E-02 ppm1 8.269 ppm2 1.719 CV 1
OR { 301}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
ASSI { 308}
(( segid "AAAA" and resid 31 and name HN ))
(( segid "AAAA" and resid 32 and name HN ))
2.100 2.100 3.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 8.276 ppm2 7.025 CV 1
ASSI { 453}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
2.000 2.000 4.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24454E-02 ppm1 7.839 ppm2 1.665 CV 1
ASSI { 456}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HN ))
2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.82076E-03 ppm1 7.839 ppm2 7.517 CV 1
ASSI { 459}
(( segid "AAAA" and resid 94 and name HN ))
(( segid "AAAA" and resid 93 and name HG ))
2.100 2.100 3.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 7.839 ppm2 1.391 CV 1
ASSI { 526}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 32 and name HB2 ))
1.100 1.100 4.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 7.066 ppm2 3.661 CV 1
ASSI { 528}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 31 and name HN ))
0.900 0.900 5.100 peak 528 spectrum 1 weight 0.10000E+01 volume 0.19105E-02 ppm1 7.066 ppm2 8.256 CV 1
OR { 528}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 31 and name HN ))
ASSI { 535}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HB2 ))
2.000 2.000 4.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.97192E-03 ppm1 7.066 ppm2 1.993 CV 1
ASSI { 543}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 32 and name HA ))
2.300 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 7.066 ppm2 5.138 CV 1
ASSI { 547}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 31 and name HA1 ))
2.000 2.000 4.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 7.066 ppm2 3.825 CV 1
OR { 547}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 31 and name HA1 ))
ASSI { 555}
(( segid "AAAA" and resid 32 and name HN ))
(( segid "AAAA" and resid 70 and name HB2 ))
2.300 2.300 3.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 7.073 ppm2 1.747 CV 1
OR { 555}
(( segid "BBBB" and resid 32 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
ASSI { 612}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HB ))
2.100 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.19882E-02 ppm1 7.921 ppm2 4.071 CV 1
ASSI { 623}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 44 and name HB2 ))
2.700 2.700 3.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.79702E-03 ppm1 7.921 ppm2 2.321 CV 1
OR { 623}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 44 and name HB2 ))
ASSI { 624}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 42 and name HN ))
0.600 0.600 5.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 7.927 ppm2 8.447 CV 1
ASSI { 628}
(( segid "BBBB" and resid 43 and name HN ))
(( segid "BBBB" and resid 43 and name HA ))
0.600 0.600 5.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.18091E-02 ppm1 7.927 ppm2 3.798 CV 1
OR { 628}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 43 and name HA ))
ASSI { 633}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.200 2.200 3.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 7.927 ppm2 3.470 CV 1
ASSI { 651}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 47 and name HD1 ))
2.800 2.800 3.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.38848E-03 ppm1 7.893 ppm2 3.224 CV 1
OR { 651}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 47 and name HD2 ))
ASSI { 657}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 39 and name HB2 ))
1.100 1.100 4.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 7.914 ppm2 1.993 CV 1
OR { 657}
(( segid "AAAA" and resid 43 and name HN ))
(( segid "AAAA" and resid 58 and name HB2 ))
ASSI { 714}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
2.300 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.23614E-02 ppm1 7.797 ppm2 7.162 CV 1
OR { 714}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HN ))
ASSI { 715}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HG2 ))
2.700 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.87063E-03 ppm1 7.797 ppm2 1.391 CV 1
OR { 715}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HG2 ))
ASSI { 718}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 63 and name HN ))
2.200 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.28362E-02 ppm1 7.797 ppm2 7.517 CV 1
OR { 718}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HN ))
ASSI { 719}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HB2 ))
1.900 1.900 4.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.33423E-02 ppm1 7.797 ppm2 1.911 CV 1
ASSI { 723}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
2.500 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.72049E-03 ppm1 7.797 ppm2 3.962 CV 1
ASSI { 725}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 61 and name HD2 ))
2.400 2.400 3.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 7.804 ppm2 1.665 CV 1
OR { 725}
(( segid "AAAA" and resid 62 and name HN ))
(( segid "AAAA" and resid 61 and name HD2 ))
OR { 725}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 63 and name HB2 ))
ASSI { 728}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HA ))
2.700 0.900 0.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.47683E-03 ppm1 7.797 ppm2 4.181 CV 1
ASSI { 730}
(( segid "BBBB" and resid 62 and name HN ))
(( segid "BBBB" and resid 62 and name HG1 ))
1.600 0.300 0.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.30857E-02 ppm1 7.797 ppm2 1.227 CV 1
ASSI { 754}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HG2 ))
2.200 0.600 0.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 7.866 ppm2 2.294 CV 1
ASSI { 764}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HG2 ))
2.400 0.700 0.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.90902E-03 ppm1 6.840 ppm2 2.294 CV 1
ASSI { 766}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 76 and name HN ))
6.500 4.700 1.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 6.840 ppm2 7.845 CV 1
OR { 766}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 76 and name HN ))
ASSI { 770}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 67 and name HB2 ))
2.300 2.300 3.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.86274E-03 ppm1 6.833 ppm2 2.184 CV 1
ASSI { 777}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
2.400 2.400 3.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.95907E-03 ppm1 8.550 ppm2 3.771 CV 1
ASSI { 780}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 51 and name HB2 ))
2.300 2.300 3.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.41441E-03 ppm1 8.550 ppm2 1.774 CV 1
ASSI { 781}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 53 and name HB ))
2.400 2.400 3.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.98631E-03 ppm1 8.550 ppm2 2.075 CV 1
ASSI { 783}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 54 and name HA1 ))
3.800 1.800 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.59259E-04 ppm1 8.550 ppm2 3.962 CV 1
ASSI { 786}
(( segid "BBBB" and resid 67 and name HE22))
(( segid "BBBB" and resid 69 and name HB2 ))
6.500 4.700 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.36501E-03 ppm1 6.840 ppm2 3.962 CV 1
OR { 786}
(( segid "AAAA" and resid 67 and name HE22))
(( segid "AAAA" and resid 69 and name HB2 ))
ASSI { 788}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
2.900 2.900 3.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.57187E-03 ppm1 8.700 ppm2 4.099 CV 1
OR { 788}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 788}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 788}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 5 and name HA ))
ASSI { 793}
(( segid "AAAA" and resid 7 and name HN ))
(( segid "AAAA" and resid 9 and name HB2 ))
1.500 1.500 4.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.21038E-02 ppm1 8.693 ppm2 1.665 CV 1
ASSI { 794}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
2.100 2.100 3.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.22221E-02 ppm1 8.693 ppm2 1.391 CV 1
ASSI { 817}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HB2 ))
2.300 2.300 3.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10191E-02 ppm1 8.303 ppm2 1.665 CV 1
ASSI { 821}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HB2 ))
0.600 0.000 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.13610E-02 ppm1 8.303 ppm2 1.856 CV 1
ASSI { 822}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HA ))
0.600 0.600 5.400 peak 822 spectrum 1 weight 0.10000E+01 volume 0.57170E-03 ppm1 8.303 ppm2 3.442 CV 1
OR { 822}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HA ))
ASSI { 824}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 43 and name HN ))
2.700 0.900 0.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.41199E-03 ppm1 8.331 ppm2 7.955 CV 1
ASSI { 826}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 44 and name HN ))
0.400 0.000 1.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.28067E-02 ppm1 8.303 ppm2 7.298 CV 1
OR { 826}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 44 and name HN ))
ASSI { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "BBBB" and resid 3 and name HA ))
1.700 1.700 4.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 8.310 ppm2 4.263 CV 1
OR { 828}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 41 and name HA ))
ASSI { 830}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
0.700 0.700 5.300 peak 830 spectrum 1 weight 0.10000E+01 volume 0.24156E-02 ppm1 8.303 ppm2 2.294 CV 1
OR { 830}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
ASSI { 841}
(( segid "AAAA" and resid 45 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
1.100 1.100 4.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.76181E-03 ppm1 8.303 ppm2 1.446 CV 1
OR { 841}
(( segid "BBBB" and resid 45 and name HN ))
(( segid "BBBB" and resid 46 and name HG ))
ASSI { 855}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
2.300 0.700 0.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 8.932 ppm2 2.977 CV 1
ASSI { 857}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.87602E-03 ppm1 8.932 ppm2 2.266 CV 1
OR { 857}
(( segid "AAAA" and resid 74 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 858}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 76 and name HA ))
2.000 2.000 4.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.29617E-02 ppm1 8.932 ppm2 4.071 CV 1
ASSI { 861}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 73 and name HN ))
2.600 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.59574E-03 ppm1 8.939 ppm2 9.486 CV 1
ASSI { 871}
(( segid "BBBB" and resid 74 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
2.300 0.700 0.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.10529E-02 ppm1 8.932 ppm2 6.560 CV 1
ASSI { 878}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 75 and name HN ))
2.300 0.600 0.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.12391E-02 ppm1 8.926 ppm2 7.080 CV 1
ASSI { 895}
(( segid "BBBB" and resid 74 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
2.700 2.700 3.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.44918E-03 ppm1 8.912 ppm2 1.446 CV 1
ASSI { 922}
(( segid "AAAA" and resid 45 and name HE21))
(( segid "BBBB" and resid 1 and name HB2 ))
2.400 2.400 3.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.57983E-03 ppm1 7.633 ppm2 1.993 CV 1
OR { 922}
(( segid "BBBB" and resid 45 and name HE21))
(( segid "AAAA" and resid 1 and name HB2 ))
ASSI { 971}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
2.200 0.600 0.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 7.777 ppm2 8.365 CV 1
ASSI { 976}
(( segid "BBBB" and resid 55 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
1.900 0.400 0.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.32955E-02 ppm1 7.955 ppm2 3.743 CV 1
ASSI { 977}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
1.000 1.000 5.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.56713E-03 ppm1 7.763 ppm2 10.361 CV 1
OR { 977}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
ASSI { 978}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 35 and name HA ))
0.800 0.800 5.200 peak 978 spectrum 1 weight 0.10000E+01 volume 0.25693E-02 ppm1 7.784 ppm2 3.907 CV 1
OR { 978}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
ASSI { 979}
(( segid "AAAA" and resid 67 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
1.100 1.100 4.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.87132E-03 ppm1 7.784 ppm2 2.212 CV 1
OR { 979}
(( segid "BBBB" and resid 67 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 988}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HA ))
2.200 0.600 0.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.26939E-02 ppm1 7.852 ppm2 4.810 CV 1
OR { 988}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HA ))
ASSI { 998}
(( segid "AAAA" and resid 66 and name HN ))
(( segid "AAAA" and resid 66 and name HB2 ))
2.500 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 7.852 ppm2 3.224 CV 1
OR { 998}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
ASSI { 999}
(( segid "BBBB" and resid 66 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.500 2.500 3.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.77645E-03 ppm1 7.804 ppm2 2.841 CV 1
ASSI { 1014}
(( segid "AAAA" and resid 5 and name HN ))
(( segid "BBBB" and resid 51 and name HG2 ))
2.500 2.500 3.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 7.907 ppm2 1.337 CV 1
OR { 1014}
(( segid "BBBB" and resid 5 and name HN ))
(( segid "AAAA" and resid 51 and name HG2 ))
ASSI { 1028}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HA ))
1.700 1.700 4.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 7.319 ppm2 4.345 CV 1
OR { 1028}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HA ))
ASSI { 1031}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.800 2.800 3.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.46006E-03 ppm1 10.368 ppm2 3.060 CV 1
OR { 1031}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 1032}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 34 and name HN ))
0.600 0.600 5.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.32467E-02 ppm1 10.368 ppm2 8.365 CV 1
OR { 1032}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 34 and name HN ))
ASSI { 1033}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
2.300 0.700 0.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.20678E-02 ppm1 7.312 ppm2 3.032 CV 1
OR { 1033}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HB2 ))
ASSI { 1037}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 10.375 ppm2 3.962 CV 1
OR { 1037}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 69 and name HB2 ))
ASSI { 1039}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
2.400 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.17172E-02 ppm1 7.312 ppm2 6.998 CV 1
OR { 1039}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 20 and name HN ))
ASSI { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
1.800 1.800 4.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 10.368 ppm2 2.266 CV 1
OR { 1041}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 1041}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
ASSI { 1042}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 70 and name HN ))
2.000 0.500 0.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 10.368 ppm2 7.572 CV 1
ASSI { 1043}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HA ))
2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 10.368 ppm2 4.810 CV 1
OR { 1043}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 66 and name HA ))
OR { 1043}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 66 and name HA ))
ASSI { 1044}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
1.000 1.000 5.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.75525E-03 ppm1 10.368 ppm2 7.763 CV 1
OR { 1044}
(( segid "BBBB" and resid 69 and name HN ))
(( segid "BBBB" and resid 68 and name HN ))
ASSI { 1047}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HA ))
2.800 1.000 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.76995E-03 ppm1 7.319 ppm2 4.126 CV 1
OR { 1047}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 1048}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 7.312 ppm2 3.278 CV 1
OR { 1048}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
ASSI { 1049}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
2.400 0.700 0.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.85515E-03 ppm1 10.368 ppm2 4.290 CV 1
ASSI { 1052}
(( segid "AAAA" and resid 21 and name HN ))
( segid "AAAA" and resid 23 and name HD% )
2.700 2.700 3.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.84662E-03 ppm1 7.326 ppm2 6.806 CV 1
OR { 1052}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 23 and name HD% )
ASSI { 1054}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 19 and name HB ))
2.700 2.700 3.300 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.80160E-03 ppm1 7.305 ppm2 5.603 CV 1
OR { 1054}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 19 and name HB ))
ASSI { 1055}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
2.100 0.500 0.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 7.326 ppm2 3.825 CV 1
ASSI { 1057}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
2.300 2.300 3.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.12545E-02 ppm1 7.326 ppm2 2.266 CV 1
OR { 1057}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 1057}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
ASSI { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
2.000 2.000 4.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.39778E-03 ppm1 10.361 ppm2 1.501 CV 1
OR { 1059}
(( segid "AAAA" and resid 69 and name HN ))
(( segid "AAAA" and resid 79 and name HG ))
ASSI { 1066}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 84 and name HN ))
2.100 0.500 0.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 7.333 ppm2 8.666 CV 1
ASSI { 1088}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
2.900 2.900 3.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.52910E-03 ppm1 9.787 ppm2 8.912 CV 1
OR { 1088}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
ASSI { 1090}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 37 and name HB2 ))
2.500 2.500 3.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 7.339 ppm2 2.075 CV 1
OR { 1090}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 37 and name HB2 ))
OR { 1090}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 82 and name HB2 ))
ASSI { 1095}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 85 and name HB2 ))
2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.84161E-03 ppm1 7.346 ppm2 1.747 CV 1
ASSI { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
2.300 2.300 3.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.21388E-02 ppm1 7.346 ppm2 1.419 CV 1
OR { 1098}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 1098}
(( segid "AAAA" and resid 85 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 1098}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 1108}
(( segid "BBBB" and resid 30 and name HN ))
(( segid "BBBB" and resid 30 and name HA ))
2.000 2.000 4.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.28420E-02 ppm1 9.767 ppm2 4.345 CV 1
ASSI { 1114}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 71 and name HN ))
2.600 2.600 3.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.60755E-03 ppm1 7.579 ppm2 7.271 CV 1
OR { 1114}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 71 and name HN ))
ASSI { 1122}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 68 and name HB2 ))
2.500 2.500 3.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.63915E-03 ppm1 7.592 ppm2 3.114 CV 1
ASSI { 1123}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.100 0.500 0.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.22415E-02 ppm1 8.768 ppm2 4.454 CV 1
ASSI { 1126}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 70 and name HA ))
2.400 0.700 0.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 7.592 ppm2 4.919 CV 1
OR { 1126}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 70 and name HA ))
ASSI { 1128}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
1.900 1.900 4.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.33277E-02 ppm1 8.768 ppm2 1.993 CV 1
ASSI { 1129}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
2.100 0.500 0.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.22484E-02 ppm1 8.768 ppm2 4.892 CV 1
ASSI { 1131}
(( segid "AAAA" and resid 35 and name HN ))
(( segid "AAAA" and resid 34 and name HA ))
0.800 0.800 5.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.19149E-02 ppm1 8.768 ppm2 3.442 CV 1
OR { 1131}
(( segid "BBBB" and resid 35 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
ASSI { 1132}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 68 and name HN ))
2.300 2.300 3.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.13075E-02 ppm1 7.599 ppm2 8.365 CV 1
ASSI { 1144}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
2.100 2.100 3.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.20601E-02 ppm1 7.592 ppm2 1.501 CV 1
OR { 1144}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
ASSI { 1150}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HA1 ))
2.600 2.600 3.400 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 9.767 ppm2 4.126 CV 1
OR { 1150}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HA1 ))
ASSI { 1153}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 69 and name HA ))
1.600 1.600 4.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.27968E-02 ppm1 7.592 ppm2 3.661 CV 1
ASSI { 1154}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 71 and name HN ))
1.200 1.200 4.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.33492E-02 ppm1 7.599 ppm2 10.334 CV 1
ASSI { 1163}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HB2 ))
0.500 0.500 5.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 9.780 ppm2 2.184 CV 1
OR { 1163}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 67 and name HB2 ))
ASSI { 1166}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
2.600 0.800 0.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 7.586 ppm2 4.290 CV 1
ASSI { 1167}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 25 and name HN ))
2.700 2.700 3.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.83602E-03 ppm1 9.787 ppm2 7.435 CV 1
OR { 1167}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 25 and name HN ))
ASSI { 1168}
(( segid "AAAA" and resid 27 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
0.500 0.500 5.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.23900E-02 ppm1 9.787 ppm2 2.020 CV 1
OR { 1168}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 1169}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 46 and name HN ))
2.400 2.400 3.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.94798E-03 ppm1 9.753 ppm2 7.271 CV 1
ASSI { 1183}
(( segid "BBBB" and resid 27 and name HN ))
(( segid "BBBB" and resid 27 and name HB2 ))
3.200 1.300 1.300 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.14997E-03 ppm1 9.780 ppm2 1.774 CV 1
ASSI { 1198}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 46 and name HN ))
2.300 2.300 3.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 8.440 ppm2 7.271 CV 1
ASSI { 1199}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 44 and name HA ))
2.000 0.500 0.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.20478E-02 ppm1 8.447 ppm2 4.263 CV 1
ASSI { 1202}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
2.900 2.900 3.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.45546E-03 ppm1 7.517 ppm2 1.938 CV 1
OR { 1202}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
ASSI { 1204}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 50 and name HN ))
2.300 2.300 3.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 9.746 ppm2 7.763 CV 1
ASSI { 1212}
(( segid "BBBB" and resid 80 and name HN ))
( segid "BBBB" and resid 76 and name HD% )
1.100 1.100 4.900 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.13227E-02 ppm1 7.497 ppm2 6.888 CV 1
ASSI { 1219}
(( segid "AAAA" and resid 80 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.79175E-03 ppm1 7.510 ppm2 3.224 CV 1
ASSI { 1221}
(( segid "BBBB" and resid 80 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
2.400 2.400 3.600 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.83449E-03 ppm1 7.490 ppm2 2.294 CV 1
ASSI { 1269}
(( segid "AAAA" and resid 20 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
0.600 0.600 5.400 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.21138E-02 ppm1 7.777 ppm2 7.107 CV 1
OR { 1269}
(( segid "BBBB" and resid 20 and name HN ))
( segid "BBBB" and resid 20 and name HE% )
ASSI { 1285}
(( segid "BBBB" and resid 48 and name HN ))
(( segid "BBBB" and resid 48 and name HD2 ))
0.300 0.300 5.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.12611E-02 ppm1 7.428 ppm2 8.720 CV 1
OR { 1285}
(( segid "AAAA" and resid 48 and name HN ))
(( segid "AAAA" and resid 48 and name HD2 ))
ASSI { 1291}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
2.500 0.800 0.800 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 7.421 ppm2 8.447 CV 1
OR { 1291}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 24 and name HN ))
ASSI { 1293}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 23 and name HB2 ))
0.300 0.000 1.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.13767E-02 ppm1 7.428 ppm2 2.731 CV 1
OR { 1293}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 1295}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 22 and name HA ))
0.900 0.900 5.100 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.86440E-03 ppm1 7.421 ppm2 3.962 CV 1
OR { 1295}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 22 and name HA ))
ASSI { 1306}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.100 2.100 3.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.21614E-02 ppm1 8.413 ppm2 3.060 CV 1
ASSI { 1307}
(( segid "BBBB" and resid 23 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
1.400 1.400 4.600 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 7.428 ppm2 4.290 CV 1
OR { 1307}
(( segid "AAAA" and resid 23 and name HN ))
(( segid "AAAA" and resid 19 and name HA ))
ASSI { 1309}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 51 and name HN ))
2.000 2.000 4.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.27613E-02 ppm1 8.399 ppm2 7.107 CV 1
ASSI { 1312}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 46 and name HA ))
2.100 2.100 3.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.19166E-02 ppm1 8.433 ppm2 3.470 CV 1
OR { 1312}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 1315}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 23 and name HB2 ))
1.500 1.500 4.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.13959E-03 ppm1 8.399 ppm2 2.759 CV 1
OR { 1315}
(( segid "BBBB" and resid 39 and name HN ))
(( segid "BBBB" and resid 23 and name HB2 ))
ASSI { 1317}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.000 2.000 4.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 8.399 ppm2 1.309 CV 1
ASSI { 1322}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
2.000 0.500 0.500 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.19640E-02 ppm1 8.392 ppm2 3.989 CV 1
OR { 1322}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HA ))
ASSI { 1323}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
2.200 0.600 0.600 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.14098E-02 ppm1 7.545 ppm2 1.665 CV 1
ASSI { 1330}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 92 and name HN ))
1.900 0.500 0.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.33826E-02 ppm1 7.565 ppm2 8.064 CV 1
ASSI { 1331}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
2.400 2.400 3.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.12349E-02 ppm1 7.880 ppm2 2.130 CV 1
ASSI { 1332}
(( segid "BBBB" and resid 68 and name HN ))
(( segid "BBBB" and resid 71 and name HN ))
0.800 0.800 5.200 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.95147E-03 ppm1 8.379 ppm2 10.334 CV 1
OR { 1332}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 71 and name HN ))
ASSI { 1333}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 23 and name HN ))
2.800 1.000 1.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.56244E-03 ppm1 8.488 ppm2 7.435 CV 1
OR { 1333}
(( segid "BBBB" and resid 24 and name HN ))
(( segid "BBBB" and resid 23 and name HN ))
ASSI { 1335}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 11 and name HN ))
2.300 0.600 0.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 7.880 ppm2 9.240 CV 1
ASSI { 1337}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
2.200 0.600 0.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 7.880 ppm2 8.638 CV 1
ASSI { 1339}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 24 and name HA ))
2.100 0.600 0.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 8.481 ppm2 3.689 CV 1
ASSI { 1341}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HN ))
1.900 0.500 0.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.33302E-02 ppm1 8.385 ppm2 7.763 CV 1
ASSI { 1351}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 33 and name HB2 ))
0.600 0.000 1.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 7.251 ppm2 1.966 CV 1
OR { 1351}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 33 and name HB2 ))
ASSI { 1353}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 50 and name HG ))
5.500 3.600 1.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.16503E-02 ppm1 8.399 ppm2 1.501 CV 1
ASSI { 1356}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HA ))
2.400 2.400 3.600 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.84423E-03 ppm1 8.030 ppm2 3.552 CV 1
ASSI { 1357}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
2.300 0.700 0.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 7.886 ppm2 2.403 CV 1
ASSI { 1358}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
2.300 0.700 0.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 7.886 ppm2 3.689 CV 1
ASSI { 1363}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
2.500 2.500 3.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.13064E-02 ppm1 7.880 ppm2 2.266 CV 1
OR { 1363}
(( segid "AAAA" and resid 10 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1365}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
2.500 0.800 0.800 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.13364E-02 ppm1 7.244 ppm2 9.295 CV 1
OR { 1365}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
ASSI { 1366}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
3.000 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.51588E-03 ppm1 7.251 ppm2 3.743 CV 1
OR { 1366}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1370}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
2.200 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 7.244 ppm2 1.555 CV 1
ASSI { 1371}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
2.000 0.500 0.500 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.31170E-02 ppm1 7.251 ppm2 3.989 CV 1
ASSI { 1373}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 67 and name HE22))
6.500 4.700 1.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.19961E-02 ppm1 7.251 ppm2 6.888 CV 1
ASSI { 1377}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 75 and name HA ))
2.700 2.700 3.300 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.98073E-03 ppm1 7.244 ppm2 4.400 CV 1
OR { 1377}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 1381}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 77 and name HB2 ))
2.500 2.500 3.500 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 7.251 ppm2 3.032 CV 1
OR { 1381}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 1384}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 61 and name HN ))
2.100 0.500 0.500 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.21788E-02 ppm1 8.242 ppm2 7.162 CV 1
ASSI { 1388}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HN ))
2.200 0.600 0.600 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.33677E-02 ppm1 7.565 ppm2 7.818 CV 1
OR { 1388}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HN ))
ASSI { 1389}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
2.300 2.300 3.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 7.018 ppm2 4.318 CV 1
ASSI { 1394}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 22 and name HN ))
3.000 1.100 1.100 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.45539E-03 ppm1 7.025 ppm2 8.720 CV 1
OR { 1394}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 22 and name HN ))
ASSI { 1399}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
2.100 0.500 0.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.22313E-02 ppm1 8.242 ppm2 3.306 CV 1
ASSI { 1405}
(( segid "AAAA" and resid 78 and name HN ))
( segid "AAAA" and resid 76 and name HE% )
2.700 2.700 3.300 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.49248E-03 ppm1 7.230 ppm2 6.697 CV 1
OR { 1405}
(( segid "AAAA" and resid 78 and name HN ))
( segid "AAAA" and resid 21 and name HD% )
ASSI { 1406}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
1.600 0.300 0.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.54365E-03 ppm1 7.025 ppm2 1.227 CV 1
ASSI { 1407}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 21 and name HN ))
2.300 0.700 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 7.032 ppm2 7.298 CV 1
ASSI { 1409}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 95 and name HA ))
3.200 1.300 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.25589E-03 ppm1 7.579 ppm2 4.044 CV 1
OR { 1409}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 95 and name HA ))
OR { 1409}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 61 and name HA ))
ASSI { 1411}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
2.600 2.600 3.400 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.56604E-03 ppm1 7.572 ppm2 3.142 CV 1
ASSI { 1417}
(( segid "BBBB" and resid 83 and name HN ))
(( segid "BBBB" and resid 86 and name HN ))
2.400 2.400 3.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.89343E-03 ppm1 8.050 ppm2 7.271 CV 1
ASSI { 1425}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.500 2.500 3.500 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.74653E-03 ppm1 9.213 ppm2 7.545 CV 1
OR { 1425}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 37 and name HN ))
ASSI { 1435}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.100 2.100 3.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 7.230 ppm2 3.224 CV 1
ASSI { 1436}
(( segid "AAAA" and resid 20 and name HN ))
(( segid "AAAA" and resid 20 and name HA ))
2.400 0.700 0.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.17073E-02 ppm1 7.025 ppm2 3.442 CV 1
OR { 1436}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 20 and name HA ))
ASSI { 1445}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HB2 ))
2.500 0.800 0.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 8.748 ppm2 3.278 CV 1
OR { 1445}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HB2 ))
ASSI { 1447}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 19 and name HB ))
2.400 0.700 0.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.80332E-03 ppm1 7.025 ppm2 5.603 CV 1
ASSI { 1450}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HB ))
1.900 0.500 0.500 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 8.926 ppm2 4.454 CV 1
ASSI { 1451}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.200 0.600 0.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 9.226 ppm2 4.454 CV 1
ASSI { 1454}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 37 and name HN ))
2.200 0.600 0.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 9.226 ppm2 8.529 CV 1
ASSI { 1457}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.300 0.700 0.700 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 9.233 ppm2 3.032 CV 1
OR { 1457}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 1459}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 14 and name HN ))
2.300 0.700 0.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.23217E-02 ppm1 8.926 ppm2 8.365 CV 1
OR { 1459}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 14 and name HN ))
ASSI { 1462}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 20 and name HB2 ))
2.200 2.200 3.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.15355E-02 ppm1 8.748 ppm2 3.060 CV 1
ASSI { 1466}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 9.226 ppm2 8.420 CV 1
OR { 1466}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HN ))
ASSI { 1467}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.46463E-03 ppm1 7.025 ppm2 3.798 CV 1
ASSI { 1468}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 94 and name HA1 ))
2.100 0.600 0.600 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.20135E-02 ppm1 7.579 ppm2 3.825 CV 1
OR { 1468}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 1468}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 94 and name HA2 ))
ASSI { 1471}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
3.200 1.300 1.300 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.16731E-03 ppm1 8.748 ppm2 3.798 CV 1
ASSI { 1472}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.000 0.500 0.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 8.926 ppm2 4.126 CV 1
ASSI { 1479}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 17 and name HB ))
2.300 2.300 3.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 8.926 ppm2 2.294 CV 1
OR { 1479}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
ASSI { 1480}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 16 and name HN ))
2.100 0.500 0.500 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.21051E-02 ppm1 8.926 ppm2 8.611 CV 1
ASSI { 1481}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 22 and name HB ))
2.800 1.000 1.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.36208E-03 ppm1 8.748 ppm2 4.290 CV 1
ASSI { 1483}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 58 and name HN ))
2.400 0.700 0.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.39662E-03 ppm1 8.228 ppm2 7.763 CV 1
OR { 1483}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 58 and name HN ))
ASSI { 1487}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 57 and name HB2 ))
1.300 1.300 4.700 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 8.228 ppm2 2.485 CV 1
OR { 1487}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 57 and name HB2 ))
ASSI { 1493}
(( segid "BBBB" and resid 38 and name HN ))
( segid "BBBB" and resid 38 and name HD% )
2.500 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 9.226 ppm2 6.998 CV 1
OR { 1493}
(( segid "AAAA" and resid 38 and name HN ))
( segid "AAAA" and resid 38 and name HD% )
ASSI { 1496}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "AAAA" and resid 16 and name HB ))
1.200 1.200 4.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.69646E-03 ppm1 8.926 ppm2 2.595 CV 1
OR { 1496}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "BBBB" and resid 16 and name HB ))
ASSI { 1497}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 60 and name HG2 ))
3.100 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.20430E-03 ppm1 8.249 ppm2 2.184 CV 1
ASSI { 1498}
(( segid "BBBB" and resid 60 and name HN ))
(( segid "BBBB" and resid 59 and name HN ))
2.500 0.800 0.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.15261E-02 ppm1 8.256 ppm2 7.900 CV 1
OR { 1498}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 59 and name HN ))
ASSI { 1500}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
2.100 2.100 3.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.21081E-02 ppm1 8.926 ppm2 1.173 CV 1
ASSI { 1505}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.300 0.700 0.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.21878E-02 ppm1 8.748 ppm2 0.817 CV 1
ASSI { 1506}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 34 and name HN ))
2.600 2.600 3.400 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.60602E-03 ppm1 9.226 ppm2 9.787 CV 1
ASSI { 1507}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 20 and name HN ))
2.600 0.800 0.800 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.61793E-03 ppm1 8.734 ppm2 6.998 CV 1
ASSI { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 39 and name HB2 ))
2.400 2.400 3.600 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 9.233 ppm2 2.020 CV 1
OR { 1509}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 39 and name HB2 ))
OR { 1509}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HB ))
ASSI { 1510}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 21 and name HN ))
2.000 0.500 0.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 8.741 ppm2 7.298 CV 1
ASSI { 1511}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 14 and name HB2 ))
2.100 2.100 3.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 8.926 ppm2 2.020 CV 1
ASSI { 1512}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.93462E-03 ppm1 8.256 ppm2 1.856 CV 1
ASSI { 1522}
(( segid "BBBB" and resid 15 and name HN ))
(( segid "BBBB" and resid 13 and name HA ))
2.900 1.000 1.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.58036E-03 ppm1 8.912 ppm2 3.415 CV 1
OR { 1522}
(( segid "AAAA" and resid 15 and name HN ))
(( segid "AAAA" and resid 13 and name HA ))
ASSI { 1525}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.700 0.900 0.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.33154E-03 ppm1 7.579 ppm2 2.868 CV 1
ASSI { 1531}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HB2 ))
2.000 0.500 0.500 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.25038E-02 ppm1 8.659 ppm2 1.637 CV 1
ASSI { 1532}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HA ))
2.400 0.700 0.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.95047E-03 ppm1 7.784 ppm2 4.263 CV 1
ASSI { 1533}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
2.900 2.900 3.100 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.61442E-03 ppm1 9.226 ppm2 8.720 CV 1
OR { 1533}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
ASSI { 1538}
(( segid "BBBB" and resid 9 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
2.400 2.400 3.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.17183E-02 ppm1 8.666 ppm2 1.419 CV 1
OR { 1538}
(( segid "AAAA" and resid 9 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 1540}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
2.100 2.100 3.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.18478E-02 ppm1 8.659 ppm2 2.048 CV 1
ASSI { 1543}
(( segid "AAAA" and resid 95 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
2.300 2.300 3.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.21548E-02 ppm1 7.579 ppm2 0.817 CV 1
OR { 1543}
(( segid "BBBB" and resid 95 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 1548}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 7 and name HB ))
2.300 2.300 3.700 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 8.666 ppm2 4.892 CV 1
ASSI { 1550}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HN ))
2.300 0.700 0.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 8.666 ppm2 9.623 CV 1
ASSI { 1554}
(( segid "AAAA" and resid 95 and name HN ))
( segid "BBBB" and resid 76 and name HD% )
2.900 2.900 3.100 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.60421E-03 ppm1 7.579 ppm2 6.916 CV 1
OR { 1554}
(( segid "BBBB" and resid 95 and name HN ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 1557}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
2.400 2.400 3.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.84855E-03 ppm1 8.666 ppm2 4.454 CV 1
ASSI { 1558}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
4.200 2.200 1.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.65494E-04 ppm1 8.666 ppm2 2.266 CV 1
OR { 1558}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1563}
(( segid "BBBB" and resid 22 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
2.500 2.500 3.500 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 8.727 ppm2 8.228 CV 1
OR { 1563}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 17 and name HN ))
ASSI { 1571}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HZ3 ))
2.800 2.800 3.200 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.38079E-03 ppm1 7.586 ppm2 6.560 CV 1
OR { 1571}
(( segid "AAAA" and resid 95 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
OR { 1571}
(( segid "BBBB" and resid 95 and name HN ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 1580}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 57 and name HN ))
2.200 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 7.784 ppm2 8.201 CV 1
OR { 1580}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 60 and name HN ))
ASSI { 1581}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
2.300 0.700 0.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.20851E-02 ppm1 8.673 ppm2 7.873 CV 1
OR { 1581}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
ASSI { 1583}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 93 and name HB2 ))
0.900 0.900 5.100 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.24807E-02 ppm1 7.586 ppm2 2.048 CV 1
OR { 1583}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 93 and name HB2 ))
ASSI { 1585}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
2.200 0.600 0.600 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 8.673 ppm2 4.153 CV 1
OR { 1585}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
ASSI { 1596}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
2.200 0.600 0.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.15296E-02 ppm1 9.664 ppm2 8.638 CV 1
ASSI { 1599}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
2.200 0.600 0.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.28872E-02 ppm1 9.664 ppm2 2.239 CV 1
OR { 1599}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
ASSI { 1602}
(( segid "AAAA" and resid 8 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
2.100 2.100 3.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.20603E-02 ppm1 9.671 ppm2 1.419 CV 1
ASSI { 1603}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 7 and name HA ))
2.600 0.900 0.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.53882E-03 ppm1 9.664 ppm2 4.454 CV 1
ASSI { 1605}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HG2 ))
2.100 2.100 3.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.22047E-02 ppm1 9.664 ppm2 2.431 CV 1
OR { 1605}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "BBBB" and resid 44 and name HG2 ))
OR { 1605}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "AAAA" and resid 44 and name HG2 ))
ASSI { 1608}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HB2 ))
2.000 2.000 4.000 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.23103E-02 ppm1 9.664 ppm2 2.048 CV 1
ASSI { 1610}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
2.200 0.600 0.600 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.26770E-02 ppm1 9.671 ppm2 4.099 CV 1
OR { 1610}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 1613}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 7 and name HB ))
2.000 0.500 0.500 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.30217E-02 ppm1 9.664 ppm2 4.892 CV 1
ASSI { 1628}
(( segid "AAAA" and resid 58 and name HN ))
(( segid "AAAA" and resid 55 and name HB2 ))
2.700 2.700 3.300 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.94196E-03 ppm1 7.784 ppm2 3.771 CV 1
OR { 1628}
(( segid "BBBB" and resid 58 and name HN ))
(( segid "BBBB" and resid 55 and name HB2 ))
ASSI { 1631}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
2.600 2.600 3.400 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.98014E-03 ppm1 7.319 ppm2 7.900 CV 1
OR { 1631}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
ASSI { 1637}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
2.400 0.700 0.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 8.235 ppm2 3.825 CV 1
OR { 1637}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 16 and name HA ))
ASSI { 1643}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 15 and name HN ))
2.700 2.700 3.300 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.40808E-03 ppm1 8.221 ppm2 8.912 CV 1
ASSI { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "AAAA" and resid 5 and name HA ))
2.000 2.000 4.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.24312E-02 ppm1 7.326 ppm2 4.044 CV 1
OR { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 1655}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 89 and name HA ))
ASSI { 1658}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 16 and name HN ))
2.500 0.800 0.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 8.228 ppm2 8.584 CV 1
OR { 1658}
(( segid "AAAA" and resid 17 and name HN ))
(( segid "AAAA" and resid 16 and name HN ))
ASSI { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
2.700 2.700 3.300 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.58416E-03 ppm1 7.319 ppm2 1.446 CV 1
OR { 1668}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 1668}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 1669}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.200 0.600 0.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.33927E-02 ppm1 7.326 ppm2 2.321 CV 1
OR { 1669}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 1671}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 60 and name HA ))
2.700 2.700 3.300 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.85028E-03 ppm1 7.551 ppm2 3.306 CV 1
OR { 1671}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 60 and name HA ))
ASSI { 1672}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HB2 ))
2.400 0.700 0.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.87054E-03 ppm1 7.326 ppm2 2.102 CV 1
ASSI { 1673}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 85 and name HA ))
2.300 0.600 0.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.13418E-02 ppm1 7.326 ppm2 3.524 CV 1
OR { 1673}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 1674}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 10 and name HN ))
2.700 2.700 3.300 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.89330E-03 ppm1 9.664 ppm2 7.873 CV 1
OR { 1674}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
ASSI { 1689}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 85 and name HB2 ))
2.100 2.100 3.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.18996E-02 ppm1 7.326 ppm2 1.774 CV 1
ASSI { 1697}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HB2 ))
0.900 0.900 5.100 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 6.916 ppm2 1.966 CV 1
OR { 1697}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 78 and name HB2 ))
ASSI { 1703}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
2.200 0.600 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.29496E-02 ppm1 7.538 ppm2 4.181 CV 1
OR { 1703}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 1703}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 62 and name HA ))
ASSI { 1711}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 79 and name HB2 ))
2.200 0.600 0.600 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.13721E-02 ppm1 6.916 ppm2 2.266 CV 1
ASSI { 1725}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
2.400 0.700 0.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.97685E-03 ppm1 6.916 ppm2 7.216 CV 1
ASSI { 1726}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 78 and name HG2 ))
5.500 3.700 1.100 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 6.916 ppm2 1.528 CV 1
ASSI { 1734}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
2.700 2.700 3.300 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.82261E-03 ppm1 8.522 ppm2 1.118 CV 1
OR { 1734}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 1738}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
1.300 1.300 4.700 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.23753E-02 ppm1 8.515 ppm2 7.900 CV 1
OR { 1738}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 40 and name HN ))
OR { 1738}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
ASSI { 1739}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 41 and name HN ))
2.400 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 8.515 ppm2 8.146 CV 1
OR { 1739}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 41 and name HN ))
ASSI { 1744}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 14 and name HG2 ))
1.500 1.500 4.500 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.16174E-02 ppm1 9.274 ppm2 2.431 CV 1
OR { 1744}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 75 and name HG2 ))
ASSI { 1752}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 42 and name HA ))
2.000 0.500 0.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.24406E-02 ppm1 8.515 ppm2 3.470 CV 1
ASSI { 1755}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
1.800 1.800 4.200 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 9.274 ppm2 1.473 CV 1
OR { 1755}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 1755}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 1762}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HB2 ))
2.300 2.300 3.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.22698E-02 ppm1 9.322 ppm2 3.032 CV 1
OR { 1762}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 77 and name HB2 ))
ASSI { 1769}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HN ))
2.600 2.600 3.400 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 9.274 ppm2 8.638 CV 1
OR { 1769}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 9 and name HN ))
ASSI { 1770}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
2.400 0.700 0.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.19547E-02 ppm1 9.315 ppm2 3.716 CV 1
OR { 1770}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 1777}
(( segid "AAAA" and resid 36 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
1.900 1.900 4.100 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.34186E-02 ppm1 7.121 ppm2 4.427 CV 1
ASSI { 1783}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
0.500 0.000 1.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 8.509 ppm2 1.583 CV 1
OR { 1783}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 1785}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
2.900 1.100 1.100 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.39994E-03 ppm1 9.288 ppm2 4.099 CV 1
OR { 1785}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 1785}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
ASSI { 1787}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 10 and name HN ))
3.300 1.400 1.400 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.17785E-03 ppm1 9.274 ppm2 7.900 CV 1
OR { 1787}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 12 and name HN ))
OR { 1787}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 12 and name HN ))
ASSI { 1788}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
2.200 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.16281E-02 ppm1 7.121 ppm2 8.748 CV 1
ASSI { 1790}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 75 and name HN ))
2.300 2.300 3.700 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 9.329 ppm2 7.052 CV 1
ASSI { 1791}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
2.800 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.38043E-03 ppm1 7.900 ppm2 2.485 CV 1
ASSI { 1794}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 36 and name HB2 ))
0.500 0.500 5.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.28926E-02 ppm1 8.556 ppm2 2.321 CV 1
OR { 1794}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 36 and name HB2 ))
ASSI { 1795}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 77 and name HZ3 ))
2.800 2.800 3.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.36331E-03 ppm1 9.322 ppm2 6.533 CV 1
ASSI { 1796}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HA ))
2.200 0.600 0.600 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.17000E-02 ppm1 8.563 ppm2 4.071 CV 1
ASSI { 1797}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
2.100 0.600 0.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.18542E-02 ppm1 7.907 ppm2 8.420 CV 1
ASSI { 1800}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 37 and name HB2 ))
2.300 2.300 3.700 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.22057E-02 ppm1 8.563 ppm2 2.048 CV 1
OR { 1800}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 37 and name HB2 ))
ASSI { 1802}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 38 and name HN ))
2.300 0.700 0.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.11158E-02 ppm1 8.563 ppm2 9.185 CV 1
ASSI { 1804}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 39 and name HA ))
2.200 0.600 0.600 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.95491E-03 ppm1 7.914 ppm2 3.989 CV 1
ASSI { 1805}
(( segid "AAAA" and resid 77 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
2.100 0.500 0.500 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.21017E-02 ppm1 9.329 ppm2 7.216 CV 1
ASSI { 1809}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 27 and name HN ))
1.100 1.100 4.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.69620E-03 ppm1 8.577 ppm2 9.787 CV 1
ASSI { 1812}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 41 and name HN ))
3.700 1.700 1.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.73347E-04 ppm1 7.921 ppm2 8.201 CV 1
OR { 1812}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 60 and name HN ))
ASSI { 1814}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
1.400 1.400 4.600 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.78505E-03 ppm1 7.907 ppm2 2.294 CV 1
OR { 1814}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 45 and name HG2 ))
OR { 1814}
(( segid "AAAA" and resid 40 and name HN ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 1814}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 1829}
(( segid "BBBB" and resid 36 and name HN ))
(( segid "BBBB" and resid 36 and name HB2 ))
1.200 1.200 4.800 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.14371E-02 ppm1 7.114 ppm2 2.458 CV 1
ASSI { 1830}
(( segid "AAAA" and resid 37 and name HN ))
( segid "AAAA" and resid 20 and name HE% )
2.100 2.100 3.900 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.22994E-02 ppm1 8.563 ppm2 7.080 CV 1
ASSI { 1834}
(( segid "AAAA" and resid 21 and name HN ))
( segid "AAAA" and resid 21 and name HE% )
0.900 0.900 5.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.23759E-02 ppm1 7.893 ppm2 7.080 CV 1
OR { 1834}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 21 and name HE% )
ASSI { 1840}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 35 and name HA ))
2.300 2.300 3.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.11375E-02 ppm1 8.563 ppm2 4.427 CV 1
ASSI { 1845}
(( segid "BBBB" and resid 37 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
2.700 2.700 3.300 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.46218E-03 ppm1 8.577 ppm2 8.748 CV 1
ASSI { 1856}
(( segid "BBBB" and resid 76 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
2.600 0.900 0.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 7.873 ppm2 9.295 CV 1
OR { 1856}
(( segid "AAAA" and resid 76 and name HN ))
(( segid "AAAA" and resid 77 and name HN ))
ASSI { 1879}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 93 and name HN ))
3.800 1.800 1.800 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.60261E-04 ppm1 8.071 ppm2 7.517 CV 1
ASSI { 1889}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HA ))
2.300 2.300 3.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 8.666 ppm2 3.962 CV 1
ASSI { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
2.600 0.900 0.900 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.87861E-03 ppm1 8.666 ppm2 3.798 CV 1
OR { 1891}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 1891}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
ASSI { 1894}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 85 and name HN ))
2.100 0.500 0.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.22255E-02 ppm1 8.659 ppm2 7.326 CV 1
ASSI { 1898}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.600 2.600 3.400 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.59223E-03 ppm1 8.652 ppm2 3.224 CV 1
ASSI { 1899}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 83 and name HN ))
2.000 0.500 0.500 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.24156E-02 ppm1 8.659 ppm2 8.037 CV 1
ASSI { 1904}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
1.800 1.800 4.200 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.23079E-02 ppm1 8.659 ppm2 1.884 CV 1
OR { 1904}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "BBBB" and resid 87 and name HB ))
ASSI { 1908}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 82 and name HN ))
2.500 0.800 0.800 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.76797E-03 ppm1 8.659 ppm2 7.654 CV 1
ASSI { 1944}
(( segid "AAAA" and resid 46 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
1.000 1.000 5.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.10662E-02 ppm1 7.319 ppm2 1.419 CV 1
OR { 1944}
(( segid "BBBB" and resid 46 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 1945}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 45 and name HA ))
0.500 0.500 5.500 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 7.319 ppm2 3.442 CV 1
OR { 1945}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 45 and name HA ))
ASSI { 1962}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 45 and name HN ))
0.300 0.000 1.900 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.20134E-02 ppm1 7.319 ppm2 8.283 CV 1
OR { 1962}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 45 and name HN ))
ASSI { 1968}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HN ))
1.900 0.500 0.500 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.32527E-02 ppm1 8.180 ppm2 7.900 CV 1
ASSI { 1973}
(( segid "AAAA" and resid 41 and name HN ))
(( segid "AAAA" and resid 40 and name HG2 ))
2.300 2.300 3.700 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.13635E-02 ppm1 8.174 ppm2 2.485 CV 1
ASSI { 1978}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "BBBB" and resid 44 and name HG2 ))
2.500 2.500 3.500 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.67339E-03 ppm1 7.333 ppm2 2.431 CV 1
ASSI { 1983}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 42 and name HN ))
2.200 0.600 0.600 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 8.174 ppm2 8.474 CV 1
ASSI { 1984}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 87 and name HB ))
2.000 2.000 4.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.30368E-02 ppm1 7.955 ppm2 1.884 CV 1
ASSI { 1989}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 11 and name HN ))
2.100 0.500 0.500 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 7.948 ppm2 9.240 CV 1
ASSI { 1994}
(( segid "BBBB" and resid 41 and name HN ))
(( segid "BBBB" and resid 41 and name HB2 ))
2.000 0.500 0.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.28956E-02 ppm1 8.180 ppm2 1.583 CV 1
ASSI { 2027}
(( segid "AAAA" and resid 6 and name HN ))
(( segid "AAAA" and resid 7 and name HN ))
2.600 2.600 3.400 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.59937E-03 ppm1 8.037 ppm2 8.666 CV 1
ASSI { 2034}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HB2 ))
2.300 0.600 0.600 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 7.695 ppm2 2.102 CV 1
ASSI { 2035}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HG2 ))
2.100 0.500 0.500 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.22603E-02 ppm1 7.695 ppm2 2.321 CV 1
ASSI { 2037}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 84 and name HN ))
2.600 0.900 0.900 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.50801E-03 ppm1 7.688 ppm2 8.638 CV 1
ASSI { 2039}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 83 and name HN ))
2.400 0.700 0.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.97621E-03 ppm1 7.695 ppm2 8.064 CV 1
ASSI { 2041}
(( segid "BBBB" and resid 65 and name HN ))
(( segid "BBBB" and resid 64 and name HB2 ))
2.400 2.400 3.600 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.87800E-03 ppm1 8.057 ppm2 2.841 CV 1
ASSI { 2046}
(( segid "AAAA" and resid 82 and name HN ))
(( segid "AAAA" and resid 80 and name HA ))
2.600 0.900 0.900 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.51257E-03 ppm1 7.695 ppm2 3.224 CV 1
ASSI { 2051}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 79 and name HA ))
2.200 0.600 0.600 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 7.695 ppm2 3.962 CV 1
ASSI { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 82 and name HA ))
2.900 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.32784E-03 ppm1 7.695 ppm2 3.798 CV 1
OR { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 81 and name HA1 ))
OR { 2053}
(( segid "BBBB" and resid 82 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
ASSI { 2055}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 70 and name HA ))
1.700 1.700 4.300 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.39446E-03 ppm1 10.389 ppm2 4.181 CV 1
OR { 2055}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 70 and name HA ))
ASSI { 2065}
(( segid "BBBB" and resid 65 and name HN ))
(( segid "BBBB" and resid 65 and name HB ))
3.200 1.300 1.300 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.15612E-03 ppm1 8.057 ppm2 2.239 CV 1
ASSI { 2081}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
2.100 2.100 3.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.22492E-02 ppm1 10.334 ppm2 1.501 CV 1
ASSI { 2098}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 33 and name HN ))
2.500 2.500 3.500 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.78687E-03 ppm1 10.334 ppm2 9.158 CV 1
ASSI { 2102}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.400 2.400 3.600 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.88639E-03 ppm1 7.114 ppm2 2.841 CV 1
ASSI { 2107}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HA ))
2.500 0.800 0.800 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 7.107 ppm2 4.400 CV 1
OR { 2107}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HA ))
ASSI { 2113}
(( segid "AAAA" and resid 97 and name HN ))
(( segid "AAAA" and resid 97 and name HB2 ))
2.600 0.900 0.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.49129E-03 ppm1 8.249 ppm2 1.719 CV 1
ASSI { 2116}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 76 and name HN ))
2.500 0.800 0.800 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 7.107 ppm2 7.845 CV 1
OR { 2116}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 76 and name HN ))
ASSI { 2124}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 70 and name HG2 ))
2.600 2.600 3.400 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.63362E-03 ppm1 9.801 ppm2 0.981 CV 1
ASSI { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
2.800 2.800 3.200 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.71090E-03 ppm1 7.100 ppm2 1.747 CV 1
OR { 2128}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
OR { 2128}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 70 and name HB2 ))
ASSI { 2130}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
2.500 0.800 0.800 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.13634E-02 ppm1 7.107 ppm2 2.266 CV 1
OR { 2130}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 2133}
(( segid "AAAA" and resid 71 and name HN ))
(( segid "AAAA" and resid 72 and name HN ))
1.500 1.500 4.500 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.44945E-03 ppm1 10.348 ppm2 8.939 CV 1
OR { 2133}
(( segid "BBBB" and resid 71 and name HN ))
(( segid "BBBB" and resid 72 and name HN ))
ASSI { 2137}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
2.100 2.100 3.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 9.808 ppm2 2.294 CV 1
OR { 2137}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 2139}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HA ))
0.800 0.800 5.200 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.82540E-03 ppm1 9.808 ppm2 3.689 CV 1
OR { 2139}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HA ))
ASSI { 2142}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 23 and name HA ))
0.700 0.700 5.300 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.52355E-03 ppm1 9.808 ppm2 3.442 CV 1
OR { 2142}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 23 and name HA ))
ASSI { 2144}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
2.700 0.900 0.900 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.41946E-03 ppm1 9.801 ppm2 8.748 CV 1
ASSI { 2147}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 35 and name HN ))
1.200 1.200 4.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.80107E-03 ppm1 9.794 ppm2 8.529 CV 1
OR { 2147}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 35 and name HN ))
ASSI { 2155}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 33 and name HB2 ))
1.400 1.400 4.600 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.98403E-03 ppm1 9.808 ppm2 1.528 CV 1
OR { 2155}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 33 and name HB2 ))
ASSI { 2157}
(( segid "BBBB" and resid 34 and name HN ))
(( segid "BBBB" and resid 26 and name HB2 ))
1.400 1.400 4.600 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 9.801 ppm2 2.020 CV 1
OR { 2157}
(( segid "AAAA" and resid 34 and name HN ))
(( segid "AAAA" and resid 26 and name HB2 ))
ASSI { 2159}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 77 and name HN ))
2.700 2.700 3.300 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.39708E-03 ppm1 7.093 ppm2 9.295 CV 1
ASSI { 2179}
(( segid "BBBB" and resid 73 and name HN ))
( segid "BBBB" and resid 73 and name HD% )
2.500 0.800 0.800 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.77242E-03 ppm1 9.527 ppm2 6.533 CV 1
ASSI { 2184}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
0.900 0.900 5.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 9.534 ppm2 4.892 CV 1
OR { 2184}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 34 and name HA ))
ASSI { 2185}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HD2 ))
3.000 1.100 1.100 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.51286E-03 ppm1 9.520 ppm2 3.306 CV 1
OR { 2185}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 2187}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 93 and name HA ))
2.000 2.000 4.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 8.126 ppm2 4.071 CV 1
ASSI { 2189}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 72 and name HB2 ))
2.700 0.900 0.900 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.88482E-03 ppm1 9.534 ppm2 2.294 CV 1
OR { 2189}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 72 and name HB2 ))
ASSI { 2193}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 97 and name HE2 ))
1.400 1.400 4.600 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.55554E-03 ppm1 8.132 ppm2 3.142 CV 1
OR { 2193}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 97 and name HE2 ))
ASSI { 2199}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "BBBB" and resid 72 and name HG2 ))
6.500 5.500 1.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.13135E-02 ppm1 8.126 ppm2 1.747 CV 1
OR { 2199}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "AAAA" and resid 72 and name HG2 ))
ASSI { 2200}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 73 and name HB2 ))
2.300 2.300 3.700 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 9.534 ppm2 3.005 CV 1
ASSI { 2205}
(( segid "AAAA" and resid 73 and name HN ))
(( segid "AAAA" and resid 74 and name HN ))
1.700 0.400 0.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.64232E-03 ppm1 9.527 ppm2 8.912 CV 1
OR { 2205}
(( segid "BBBB" and resid 73 and name HN ))
(( segid "BBBB" and resid 74 and name HN ))
ASSI { 2207}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 13 and name HA ))
2.800 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.69313E-03 ppm1 8.618 ppm2 3.415 CV 1
OR { 2207}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 13 and name HA ))
ASSI { 2213}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 14 and name HB2 ))
2.500 2.500 3.500 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.78574E-03 ppm1 8.632 ppm2 2.075 CV 1
OR { 2213}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 14 and name HB2 ))
ASSI { 2215}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HA ))
2.200 2.200 3.800 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.13962E-02 ppm1 8.625 ppm2 4.126 CV 1
ASSI { 2218}
(( segid "AAAA" and resid 8 and name HN ))
(( segid "AAAA" and resid 8 and name HG2 ))
2.800 2.800 3.200 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.70719E-03 ppm1 8.618 ppm2 2.212 CV 1
OR { 2218}
(( segid "BBBB" and resid 8 and name HN ))
(( segid "BBBB" and resid 8 and name HG2 ))
ASSI { 2219}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
2.200 0.600 0.600 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 8.625 ppm2 3.798 CV 1
ASSI { 2228}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
2.200 2.200 3.800 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.13868E-02 ppm1 8.625 ppm2 1.200 CV 1
ASSI { 2231}
(( segid "AAAA" and resid 16 and name HN ))
(( segid "AAAA" and resid 16 and name HB ))
2.000 0.500 0.500 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 8.625 ppm2 2.649 CV 1
ASSI { 2244}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "AAAA" and resid 1 and name HG2 ))
2.700 2.700 3.300 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.79336E-03 ppm1 8.187 ppm2 2.513 CV 1
OR { 2244}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 2250}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 58 and name HB2 ))
1.000 1.000 5.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.33488E-02 ppm1 8.180 ppm2 1.993 CV 1
ASSI { 2293}
(( segid "AAAA" and resid 25 and name HN ))
(( segid "AAAA" and resid 24 and name HN ))
2.700 2.700 3.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.43961E-03 ppm1 9.172 ppm2 8.474 CV 1
ASSI { 2303}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 71 and name HG ))
2.100 2.100 3.900 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.17545E-02 ppm1 9.179 ppm2 1.501 CV 1
OR { 2303}
(( segid "AAAA" and resid 33 and name HN ))
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 2307}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 32 and name HA ))
2.200 0.600 0.600 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 9.179 ppm2 5.138 CV 1
ASSI { 2314}
(( segid "BBBB" and resid 33 and name HN ))
(( segid "BBBB" and resid 34 and name HA ))
2.600 2.600 3.400 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.61866E-03 ppm1 9.172 ppm2 4.892 CV 1
ASSI { 2443}
(( segid "AAAA" and resid 96 and name HN ))
(( segid "AAAA" and resid 93 and name HA ))
1.200 1.200 4.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.22980E-02 ppm1 7.880 ppm2 4.071 CV 1
OR { 2443}
(( segid "BBBB" and resid 96 and name HN ))
(( segid "BBBB" and resid 93 and name HA ))
ASSI { 2451}
(( segid "BBBB" and resid 98 and name HN ))
(( segid "BBBB" and resid 96 and name HA ))
5.000 3.100 1.200 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 7.880 ppm2 4.235 CV 1
OR { 2451}
(( segid "AAAA" and resid 98 and name HN ))
(( segid "AAAA" and resid 96 and name HA ))
ASSI { 2532}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 78 and name HG2 ))
2.600 0.900 0.900 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.51638E-03 ppm1 10.245 ppm2 1.555 CV 1
ASSI { 2544}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HN ))
3.200 3.200 2.800 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.34384E-03 ppm1 10.245 ppm2 9.322 CV 1
OR { 2544}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HN ))
ASSI { 2547}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 67 and name HE21))
2.400 2.400 3.600 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.89636E-03 ppm1 10.238 ppm2 7.927 CV 1
ASSI { 2550}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HE3 ))
3.100 3.100 2.900 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.41148E-03 ppm1 10.245 ppm2 7.654 CV 1
OR { 2550}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HE3 ))
ASSI { 2552}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HD1 ))
3.100 1.200 1.200 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.41399E-03 ppm1 10.238 ppm2 7.216 CV 1
OR { 2552}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 2563}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 77 and name HA ))
2.200 2.200 3.800 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.25094E-02 ppm1 10.238 ppm2 3.771 CV 1
OR { 2563}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 77 and name HA ))
ASSI { 2573}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 78 and name HA ))
2.500 2.500 3.500 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.71561E-03 ppm1 10.238 ppm2 3.962 CV 1
ASSI { 2575}
(( segid "AAAA" and resid 77 and name HE1 ))
(( segid "AAAA" and resid 80 and name HB ))
2.800 2.800 3.200 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.69205E-03 ppm1 10.245 ppm2 1.419 CV 1
OR { 2575}
(( segid "BBBB" and resid 77 and name HE1 ))
(( segid "BBBB" and resid 80 and name HB ))
!2D NOESY NEW TEMPLATE TABLE
ASSI { 1}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 59 and name HG2 ))
1.400 1.400 4.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14609E-01 ppm1 1.088 ppm2 1.216 CV 1
ASSI { 5}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
1.400 1.400 4.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.22108E-01 ppm1 2.143 ppm2 2.334 CV 1
ASSI { 7}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 44 and name HA ))
1.500 0.300 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.81632E-02 ppm1 1.358 ppm2 4.247 CV 1
OR { 7}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "BBBB" and resid 3 and name HA ))
OR { 7}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "AAAA" and resid 44 and name HA ))
ASSI { 8}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HA ))
1.400 1.400 4.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.16227E-01 ppm1 2.014 ppm2 4.001 CV 1
ASSI { 10}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 25 and name HA1 ))
1.600 1.600 4.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.12782E-01 ppm1 0.807 ppm2 4.171 CV 1
ASSI { 11}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "AAAA" and resid 8 and name HA ))
1.500 1.500 4.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.12474E-01 ppm1 1.487 ppm2 4.130 CV 1
OR { 11}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 11}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 11}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 11}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 11}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "BBBB" and resid 11 and name HA ))
ASSI { 12}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 95 and name HA ))
1.700 1.700 4.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.78586E-02 ppm1 0.865 ppm2 3.995 CV 1
OR { 12}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 74 and name HB2 ))
ASSI { 13}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
2.000 2.000 4.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.53755E-02 ppm1 2.436 ppm2 2.544 CV 1
OR { 13}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 14}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.300 2.300 3.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 1.088 ppm2 1.281 CV 1
OR { 14}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 15}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 63 and name HA ))
1.900 1.900 4.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.67778E-02 ppm1 1.170 ppm2 4.194 CV 1
OR { 15}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 63 and name HA ))
ASSI { 17}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 62 and name HB ))
1.600 0.300 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.78626E-02 ppm1 1.252 ppm2 3.984 CV 1
OR { 17}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 58 and name HA ))
ASSI { 18}
(( segid "AAAA" and resid 22 and name HG1 ))
(( segid "AAAA" and resid 22 and name HA ))
1.900 1.900 4.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.74830E-02 ppm1 0.830 ppm2 3.837 CV 1
OR { 18}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HA ))
ASSI { 19}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 85 and name HA ))
2.200 2.200 3.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27569E-02 ppm1 1.147 ppm2 3.562 CV 1
OR { 19}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 20}
(( segid "AAAA" and resid 22 and name HG1 ))
( segid "BBBB" and resid 7 and name HG2%)
6.500 5.000 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.60039E-02 ppm1 0.807 ppm2 1.403 CV 1
OR { 20}
(( segid "BBBB" and resid 22 and name HG1 ))
( segid "AAAA" and resid 7 and name HG2%)
ASSI { 21}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HA ))
1.900 0.400 0.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.70611E-02 ppm1 1.194 ppm2 4.101 CV 1
OR { 21}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HA ))
OR { 21}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 86 and name HA ))
ASSI { 22}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 73 and name HB2 ))
1.900 1.900 4.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.73728E-02 ppm1 1.697 ppm2 3.030 CV 1
OR { 22}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
OR { 22}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
OR { 22}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
ASSI { 26}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.300 2.300 3.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12337E-02 ppm1 2.905 ppm2 3.036 CV 1
ASSI { 27}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 61 and name HA ))
1.500 0.300 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12161E-01 ppm1 1.897 ppm2 4.025 CV 1
ASSI { 29}
(( segid "BBBB" and resid 82 and name HG2 ))
(( segid "BBBB" and resid 79 and name HA ))
1.700 0.400 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.80466E-02 ppm1 2.319 ppm2 3.984 CV 1
ASSI { 30}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 93 and name HG ))
1.600 1.600 4.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.31523E-02 ppm1 1.299 ppm2 1.433 CV 1
OR { 30}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 93 and name HG ))
ASSI { 31}
( segid "AAAA" and resid 95 and name HG2% )
(( segid "AAAA" and resid 93 and name HA ))
1.900 1.900 4.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.47809E-02 ppm1 0.842 ppm2 4.107 CV 1
OR { 31}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 93 and name HA ))
ASSI { 32}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 62 and name HA ))
1.600 1.600 4.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.75193E-02 ppm1 1.252 ppm2 4.218 CV 1
ASSI { 38}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.59626E-03 ppm1 4.053 ppm2 4.194 CV 1
OR { 38}
(( segid "BBBB" and resid 37 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 38}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 62 and name HA ))
OR { 38}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 62 and name HA ))
OR { 38}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 63 and name HA ))
ASSI { 39}
(( segid "BBBB" and resid 78 and name HG2 ))
(( segid "BBBB" and resid 69 and name HA ))
1.800 1.800 4.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.38060E-02 ppm1 1.533 ppm2 4.323 CV 1
OR { 39}
(( segid "BBBB" and resid 33 and name HG ))
(( segid "BBBB" and resid 69 and name HA ))
OR { 39}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 40}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 40 and name HA ))
2.100 2.100 3.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.40920E-02 ppm1 1.018 ppm2 3.902 CV 1
OR { 40}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 40 and name HA ))
ASSI { 41}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 61 and name HG2 ))
1.800 1.800 4.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.61086E-02 ppm1 1.252 ppm2 1.444 CV 1
OR { 41}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 46 and name HG ))
OR { 41}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 46 and name HG ))
ASSI { 42}
(( segid "BBBB" and resid 22 and name HG1 ))
(( segid "BBBB" and resid 22 and name HB ))
2.100 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.31948E-02 ppm1 0.819 ppm2 4.323 CV 1
ASSI { 46}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HG2 ))
1.800 0.400 0.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.56127E-02 ppm1 1.018 ppm2 2.252 CV 1
ASSI { 47}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
1.600 1.600 4.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.83915E-02 ppm1 1.662 ppm2 2.925 CV 1
OR { 47}
(( segid "BBBB" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
ASSI { 51}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 9 and name HA ))
1.600 1.600 4.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.64264E-02 ppm1 1.697 ppm2 4.165 CV 1
OR { 51}
(( segid "AAAA" and resid 46 and name HB2 ))
(( segid "AAAA" and resid 47 and name HA ))
ASSI { 52}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
1.800 1.800 4.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.66723E-02 ppm1 1.862 ppm2 3.826 CV 1
OR { 52}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 52}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 52}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 52}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 52}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 52}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 43 and name HA ))
ASSI { 54}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 10 and name HA ))
5.500 3.800 0.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 1.135 ppm2 3.691 CV 1
ASSI { 57}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 88 and name HA ))
1.400 1.400 4.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.47276E-02 ppm1 0.748 ppm2 4.007 CV 1
OR { 57}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HA ))
OR { 57}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 69 and name HB2 ))
OR { 57}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HA ))
OR { 57}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 90 and name HA ))
OR { 57}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 58}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 8 and name HA ))
1.800 0.400 0.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.39086E-02 ppm1 2.072 ppm2 4.124 CV 1
OR { 58}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 11 and name HA ))
ASSI { 60}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 57 and name HA ))
1.500 1.500 4.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.63047E-02 ppm1 1.721 ppm2 4.247 CV 1
ASSI { 62}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "BBBB" and resid 96 and name HG2 ))
2.000 2.000 4.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.29761E-02 ppm1 0.830 ppm2 1.550 CV 1
ASSI { 65}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HA ))
1.800 0.400 0.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.33496E-02 ppm1 2.283 ppm2 4.130 CV 1
OR { 65}
(( segid "AAAA" and resid 17 and name HB ))
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 68}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 81 and name HA2 ))
2.000 2.000 4.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 3.561 ppm2 3.820 CV 1
ASSI { 69}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 79 and name HA ))
1.800 1.800 4.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.45967E-02 ppm1 1.498 ppm2 3.960 CV 1
OR { 69}
(( segid "BBBB" and resid 50 and name HG ))
(( segid "BBBB" and resid 51 and name HA ))
ASSI { 70}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 34 and name HA ))
1.400 1.400 4.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.41399E-02 ppm1 2.131 ppm2 4.095 CV 1
OR { 70}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
ASSI { 71}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
1.900 1.900 4.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.41758E-02 ppm1 1.779 ppm2 3.545 CV 1
ASSI { 72}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 51 and name HA ))
0.900 0.100 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.59086E-02 ppm1 2.143 ppm2 3.990 CV 1
OR { 72}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
OR { 72}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 90 and name HA ))
OR { 72}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 72}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 88 and name HA ))
OR { 72}
(( segid "AAAA" and resid 4 and name HG2 ))
(( segid "BBBB" and resid 54 and name HA1 ))
OR { 72}
(( segid "BBBB" and resid 67 and name HB2 ))
(( segid "BBBB" and resid 62 and name HB ))
OR { 72}
(( segid "AAAA" and resid 67 and name HB2 ))
(( segid "AAAA" and resid 62 and name HB ))
OR { 72}
(( segid "BBBB" and resid 4 and name HG2 ))
(( segid "AAAA" and resid 54 and name HA1 ))
ASSI { 73}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 1 and name HA ))
2.000 2.000 4.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.26753E-02 ppm1 1.604 ppm2 4.329 CV 1
OR { 73}
(( segid "AAAA" and resid 13 and name HG11))
(( segid "AAAA" and resid 12 and name HA ))
ASSI { 74}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 67 and name HA ))
2.100 0.500 0.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 1.651 ppm2 3.984 CV 1
OR { 74}
( segid "BBBB" and resid 35 and name HG2%)
(( segid "BBBB" and resid 67 and name HA ))
OR { 74}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 75}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 89 and name HA ))
1.800 0.400 0.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.38337E-02 ppm1 1.686 ppm2 4.013 CV 1
OR { 75}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 77}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
0.800 0.800 5.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.45454E-02 ppm1 2.061 ppm2 2.521 CV 1
OR { 77}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 77}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 77}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 77}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 78}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 69 and name HB2 ))
1.300 0.200 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.30298E-02 ppm1 3.244 ppm2 3.978 CV 1
OR { 78}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 69 and name HB2 ))
OR { 78}
(( segid "BBBB" and resid 80 and name HA ))
(( segid "BBBB" and resid 79 and name HA ))
OR { 78}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 67 and name HA ))
OR { 78}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 67 and name HA ))
OR { 78}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 62 and name HB ))
ASSI { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 78 and name HG2 ))
2.100 2.100 3.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.38011E-02 ppm1 0.760 ppm2 1.544 CV 1
OR { 79}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 78 and name HG2 ))
OR { 79}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 79 and name HG ))
OR { 79}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HG2 ))
OR { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 88 and name HG2 ))
OR { 79}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 88 and name HG2 ))
ASSI { 82}
(( segid "BBBB" and resid 41 and name HG ))
( segid "AAAA" and resid 7 and name HG2%)
1.700 1.700 4.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.62684E-02 ppm1 0.983 ppm2 1.368 CV 1
OR { 82}
(( segid "AAAA" and resid 89 and name HG2 ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 85}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 39 and name HG2 ))
2.100 2.100 3.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.34779E-02 ppm1 0.983 ppm2 1.286 CV 1
OR { 85}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 88}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 85 and name HA ))
2.200 2.200 3.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.31863E-02 ppm1 0.994 ppm2 3.557 CV 1
OR { 88}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 85 and name HA ))
ASSI { 90}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HA ))
1.800 1.800 4.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.34721E-02 ppm1 2.190 ppm2 4.276 CV 1
OR { 90}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 41 and name HA ))
ASSI { 91}
( segid "AAAA" and resid 21 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
2.000 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25769E-02 ppm1 6.702 ppm2 7.102 CV 1
ASSI { 98}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 87 and name HA ))
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.28006E-02 ppm1 1.920 ppm2 4.270 CV 1
OR { 98}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 87 and name HA ))
ASSI { 99}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 88 and name HA ))
1.900 0.500 0.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.37989E-02 ppm1 1.580 ppm2 4.001 CV 1
ASSI { 102}
( segid "AAAA" and resid 20 and name HD% )
( segid "AAAA" and resid 21 and name HE% )
2.100 0.500 0.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.22575E-02 ppm1 6.573 ppm2 7.102 CV 1
OR { 102}
( segid "BBBB" and resid 20 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
OR { 102}
( segid "AAAA" and resid 73 and name HD% )
( segid "AAAA" and resid 73 and name HE% )
ASSI { 105}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 95 and name HA ))
2.100 0.500 0.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.24458E-02 ppm1 1.791 ppm2 4.031 CV 1
ASSI { 106}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 75 and name HA ))
0.900 0.900 5.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 1.885 ppm2 4.405 CV 1
OR { 106}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 75 and name HA ))
OR { 106}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 106}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 75 and name HA ))
OR { 106}
(( segid "AAAA" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 75 and name HA ))
OR { 106}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 2 and name HA ))
OR { 106}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 35 and name HA ))
OR { 106}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 35 and name HA ))
OR { 106}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 106}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 107}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 3.772 ppm2 4.036 CV 1
ASSI { 108}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 11 and name HA ))
2.200 2.200 3.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.22302E-02 ppm1 2.436 ppm2 4.124 CV 1
OR { 108}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 108}
(( segid "AAAA" and resid 10 and name HG2 ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 108}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 108}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 108}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 15 and name HA ))
ASSI { 109}
(( segid "BBBB" and resid 45 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
0.800 0.800 5.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 2.295 ppm2 2.515 CV 1
OR { 109}
(( segid "BBBB" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 109}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 113}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 67 and name HB2 ))
1.100 1.100 4.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.26309E-02 ppm1 2.037 ppm2 2.176 CV 1
OR { 113}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 113}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 113}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 4 and name HG2 ))
OR { 113}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 114}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
1.400 1.400 4.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.29058E-02 ppm1 2.049 ppm2 2.187 CV 1
OR { 114}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 40 and name HB2 ))
OR { 114}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 67 and name HB2 ))
ASSI { 115}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "BBBB" and resid 38 and name HA ))
2.100 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.42679E-02 ppm1 0.983 ppm2 4.183 CV 1
OR { 115}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 116}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 57 and name HA ))
2.000 2.000 4.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 2.506 ppm2 4.294 CV 1
ASSI { 117}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "BBBB" and resid 87 and name HA ))
2.400 2.400 3.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 0.760 ppm2 4.329 CV 1
OR { 117}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 119}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 24 and name HA ))
1.800 1.800 4.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.34063E-02 ppm1 2.061 ppm2 3.674 CV 1
OR { 119}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 24 and name HA ))
ASSI { 120}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 59 and name HA ))
2.200 2.200 3.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 2.530 ppm2 4.118 CV 1
OR { 120}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 121}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12274E-02 ppm1 3.807 ppm2 4.101 CV 1
OR { 121}
(( segid "BBBB" and resid 21 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
ASSI { 122}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
1.600 1.600 4.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.27744E-02 ppm1 1.721 ppm2 2.814 CV 1
OR { 122}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
OR { 122}
(( segid "BBBB" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 128}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 88 and name HB2 ))
1.900 1.900 4.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.39057E-02 ppm1 0.983 ppm2 1.485 CV 1
OR { 128}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 6 and name HG ))
ASSI { 131}
(( segid "BBBB" and resid 80 and name HB ))
(( segid "BBBB" and resid 79 and name HN ))
2.200 2.200 3.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.19508E-02 ppm1 1.428 ppm2 6.857 CV 1
OR { 131}
(( segid "BBBB" and resid 93 and name HG ))
( segid "AAAA" and resid 76 and name HD% )
OR { 131}
(( segid "AAAA" and resid 93 and name HG ))
( segid "BBBB" and resid 76 and name HD% )
ASSI { 134}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
2.100 2.100 3.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.47102E-02 ppm1 1.862 ppm2 2.199 CV 1
OR { 134}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
ASSI { 135}
( segid "BBBB" and resid 38 and name HD% )
( segid "BBBB" and resid 20 and name HE% )
2.100 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.20604E-02 ppm1 7.006 ppm2 7.114 CV 1
OR { 135}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 20 and name HE% )
ASSI { 136}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 20 and name HE% )
2.100 2.100 3.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.23343E-02 ppm1 6.971 ppm2 7.102 CV 1
ASSI { 137}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 47 and name HD2 ))
2.600 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.35265E-03 ppm1 3.092 ppm2 3.182 CV 1
OR { 137}
(( segid "AAAA" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
OR { 137}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 47 and name HD1 ))
OR { 137}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 137}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "AAAA" and resid 29 and name HD2 ))
ASSI { 138}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 1 and name HA ))
6.500 5.500 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.14947E-02 ppm1 1.112 ppm2 4.311 CV 1
ASSI { 139}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 75 and name HN ))
2.200 2.200 3.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.17073E-02 ppm1 6.854 ppm2 7.079 CV 1
OR { 139}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 75 and name HN ))
ASSI { 140}
(( segid "AAAA" and resid 89 and name HB2 ))
(( segid "AAAA" and resid 89 and name HA ))
2.000 0.500 0.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.28712E-02 ppm1 1.639 ppm2 4.089 CV 1
ASSI { 141}
(( segid "AAAA" and resid 31 and name HA1 ))
(( segid "AAAA" and resid 74 and name HA ))
5.100 3.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.37051E-03 ppm1 3.889 ppm2 4.066 CV 1
OR { 141}
(( segid "BBBB" and resid 31 and name HA1 ))
(( segid "BBBB" and resid 74 and name HA ))
ASSI { 142}
(( segid "AAAA" and resid 97 and name HD2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
1.900 1.900 4.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.21445E-02 ppm1 1.604 ppm2 3.176 CV 1
OR { 142}
(( segid "BBBB" and resid 97 and name HD2 ))
(( segid "AAAA" and resid 29 and name HD2 ))
ASSI { 143}
(( segid "BBBB" and resid 26 and name HB2 ))
(( segid "BBBB" and resid 25 and name HA2 ))
5.000 3.200 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.21083E-02 ppm1 2.026 ppm2 3.826 CV 1
OR { 143}
(( segid "AAAA" and resid 26 and name HB2 ))
(( segid "AAAA" and resid 25 and name HA2 ))
OR { 143}
(( segid "AAAA" and resid 47 and name HB2 ))
(( segid "AAAA" and resid 43 and name HA ))
ASSI { 145}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 79 and name HN ))
1.200 1.200 4.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17307E-02 ppm1 6.713 ppm2 6.851 CV 1
ASSI { 147}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 29 and name HA ))
1.400 1.400 4.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.22879E-02 ppm1 1.346 ppm2 3.960 CV 1
OR { 147}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 54 and name HA1 ))
OR { 147}
(( segid "BBBB" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 74 and name HB2 ))
ASSI { 149}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 82 and name HA ))
2.000 2.000 4.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.17867E-02 ppm1 1.522 ppm2 3.832 CV 1
OR { 149}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 81 and name HA2 ))
ASSI { 150}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.200 2.200 3.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.34082E-02 ppm1 1.510 ppm2 2.825 CV 1
OR { 150}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 156}
(( segid "AAAA" and resid 33 and name HB2 ))
(( segid "AAAA" and resid 67 and name HB2 ))
2.200 2.200 3.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11978E-02 ppm1 1.990 ppm2 2.117 CV 1
OR { 156}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 67 and name HB2 ))
OR { 156}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 70 and name HG2 ))
OR { 156}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 70 and name HG2 ))
ASSI { 157}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.25052E-03 ppm1 2.248 ppm2 2.357 CV 1
OR { 157}
(( segid "BBBB" and resid 40 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 157}
(( segid "AAAA" and resid 40 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 160}
(( segid "AAAA" and resid 88 and name HG2 ))
(( segid "AAAA" and resid 84 and name HA ))
2.000 2.000 4.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 1.580 ppm2 3.551 CV 1
OR { 160}
(( segid "BBBB" and resid 89 and name HD2 ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 161}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HA ))
2.100 0.500 0.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21724E-02 ppm1 1.404 ppm2 4.089 CV 1
ASSI { 162}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 79 and name HB2 ))
2.200 2.200 3.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 1.908 ppm2 2.240 CV 1
OR { 162}
(( segid "AAAA" and resid 29 and name HB2 ))
(( segid "AAAA" and resid 27 and name HG2 ))
OR { 162}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
OR { 162}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
OR { 162}
(( segid "AAAA" and resid 61 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
ASSI { 163}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 46 and name HB2 ))
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.89424E-03 ppm1 1.428 ppm2 1.667 CV 1
OR { 163}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 9 and name HB2 ))
OR { 163}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 93 and name HB2 ))
OR { 163}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 61 and name HD2 ))
ASSI { 164}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 47 and name HD2 ))
3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.27817E-03 ppm1 3.115 ppm2 3.235 CV 1
OR { 164}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 47 and name HD1 ))
OR { 164}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 164}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 47 and name HD1 ))
ASSI { 165}
( segid "AAAA" and resid 35 and name HG2%)
(( segid "AAAA" and resid 35 and name HA ))
1.800 0.400 0.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.20241E-02 ppm1 1.674 ppm2 4.405 CV 1
ASSI { 168}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
1.700 1.700 4.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.18807E-02 ppm1 2.026 ppm2 4.235 CV 1
OR { 168}
(( segid "BBBB" and resid 53 and name HB ))
(( segid "AAAA" and resid 4 and name HA ))
OR { 168}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 44 and name HA ))
ASSI { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA2 ))
2.200 2.200 3.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17864E-02 ppm1 1.287 ppm2 3.832 CV 1
OR { 169}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
ASSI { 170}
(( segid "AAAA" and resid 27 and name HB2 ))
(( segid "AAAA" and resid 29 and name HD2 ))
2.300 2.300 3.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.16495E-02 ppm1 1.733 ppm2 3.170 CV 1
OR { 170}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 29 and name HD2 ))
OR { 170}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 89 and name HE2 ))
OR { 170}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 89 and name HE2 ))
ASSI { 171}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 12 and name HA ))
2.100 2.100 3.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 4.147 ppm2 4.358 CV 1
OR { 171}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 171}
(( segid "AAAA" and resid 9 and name HA ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 171}
(( segid "AAAA" and resid 15 and name HA ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 171}
(( segid "BBBB" and resid 15 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 171}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "AAAA" and resid 1 and name HA ))
OR { 171}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 12 and name HA ))
ASSI { 174}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 94 and name HA2 ))
2.100 2.100 3.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.20054E-02 ppm1 1.440 ppm2 3.820 CV 1
OR { 174}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 43 and name HA ))
OR { 174}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 81 and name HA2 ))
OR { 174}
(( segid "AAAA" and resid 93 and name HG ))
(( segid "AAAA" and resid 94 and name HA1 ))
ASSI { 175}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.24312E-03 ppm1 1.205 ppm2 1.333 CV 1
OR { 175}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 39 and name HG2 ))
ASSI { 176}
( segid "BBBB" and resid 5 and name HG2%)
( segid "BBBB" and resid 7 and name HG2%)
3.300 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.26452E-03 ppm1 1.194 ppm2 1.357 CV 1
OR { 176}
( segid "AAAA" and resid 5 and name HG2%)
( segid "AAAA" and resid 7 and name HG2%)
OR { 176}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 51 and name HG2 ))
OR { 176}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 51 and name HG2 ))
OR { 176}
(( segid "AAAA" and resid 62 and name HG1 ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 177}
(( segid "BBBB" and resid 70 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
2.000 2.000 4.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.27379E-02 ppm1 1.779 ppm2 3.317 CV 1
OR { 177}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
ASSI { 183}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "BBBB" and resid 6 and name HA ))
2.100 2.100 3.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.17954E-02 ppm1 1.475 ppm2 4.370 CV 1
OR { 183}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "BBBB" and resid 2 and name HA ))
ASSI { 184}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 23 and name HE% )
2.100 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17878E-02 ppm1 4.170 ppm2 7.102 CV 1
ASSI { 188}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 23 and name HA ))
2.100 0.600 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 2.752 ppm2 3.978 CV 1
ASSI { 189}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 96 and name HD2 ))
6.000 4.500 1.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.21988E-02 ppm1 1.768 ppm2 3.112 CV 1
ASSI { 193}
(( segid "BBBB" and resid 45 and name HB2 ))
(( segid "BBBB" and resid 47 and name HD2 ))
1.500 1.500 4.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.18344E-02 ppm1 1.803 ppm2 3.170 CV 1
OR { 193}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 193}
(( segid "BBBB" and resid 45 and name HB2 ))
(( segid "BBBB" and resid 47 and name HD1 ))
ASSI { 195}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
2.100 2.100 3.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.26259E-02 ppm1 1.604 ppm2 2.334 CV 1
OR { 195}
(( segid "BBBB" and resid 13 and name HG11))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 195}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 37 and name HG2 ))
OR { 195}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 197}
(( segid "BBBB" and resid 58 and name HA ))
(( segid "BBBB" and resid 57 and name HA ))
2.400 2.400 3.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.79121E-03 ppm1 4.030 ppm2 4.300 CV 1
OR { 197}
(( segid "AAAA" and resid 90 and name HA ))
(( segid "AAAA" and resid 87 and name HA ))
OR { 197}
(( segid "BBBB" and resid 90 and name HA ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 197}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 57 and name HA ))
OR { 197}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 57 and name HA ))
ASSI { 199}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 12 and name HA ))
2.600 2.600 3.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.94797E-03 ppm1 2.061 ppm2 4.393 CV 1
OR { 199}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 12 and name HA ))
OR { 199}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 53 and name HB ))
(( segid "BBBB" and resid 2 and name HA ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 12 and name HA ))
OR { 199}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 15 and name HB ))
OR { 199}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 15 and name HB ))
ASSI { 200}
( segid "AAAA" and resid 22 and name HG2%)
( segid "AAAA" and resid 21 and name HE% )
2.200 2.200 3.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16996E-02 ppm1 1.440 ppm2 7.085 CV 1
OR { 200}
( segid "BBBB" and resid 22 and name HG2%)
( segid "BBBB" and resid 21 and name HE% )
ASSI { 202}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 41 and name HA ))
0.800 0.800 5.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 2.565 ppm2 4.311 CV 1
OR { 202}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 3 and name HA ))
ASSI { 203}
(( segid "AAAA" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 9 and name HA ))
2.100 2.100 3.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.14529E-02 ppm1 2.119 ppm2 4.206 CV 1
ASSI { 206}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.300 2.300 3.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.21340E-02 ppm1 1.721 ppm2 2.521 CV 1
ASSI { 207}
(( segid "BBBB" and resid 97 and name HD2 ))
(( segid "BBBB" and resid 97 and name HA ))
1.600 1.600 4.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 1.580 ppm2 4.224 CV 1
OR { 207}
(( segid "AAAA" and resid 98 and name HD2 ))
(( segid "AAAA" and resid 97 and name HA ))
OR { 207}
(( segid "BBBB" and resid 98 and name HD2 ))
(( segid "BBBB" and resid 97 and name HA ))
OR { 207}
(( segid "BBBB" and resid 97 and name HD2 ))
(( segid "BBBB" and resid 96 and name HA ))
OR { 207}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 4 and name HA ))
ASSI { 208}
(( segid "BBBB" and resid 37 and name HG2 ))
(( segid "BBBB" and resid 23 and name HA ))
2.300 2.300 3.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12416E-02 ppm1 2.342 ppm2 3.832 CV 1
OR { 208}
(( segid "AAAA" and resid 37 and name HG2 ))
(( segid "AAAA" and resid 23 and name HA ))
ASSI { 210}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 39 and name HB2 ))
1.200 0.200 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.74337E-03 ppm1 1.299 ppm2 1.638 CV 1
OR { 210}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 39 and name HB2 ))
ASSI { 211}
(( segid "BBBB" and resid 63 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
2.100 2.100 3.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 1.651 ppm2 3.252 CV 1
OR { 211}
(( segid "AAAA" and resid 63 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 212}
(( segid "AAAA" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 2.858 ppm2 3.814 CV 1
OR { 212}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
ASSI { 213}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 21 and name HE% )
2.100 2.100 3.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 1.276 ppm2 7.102 CV 1
OR { 213}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 20 and name HE% )
ASSI { 217}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 43 and name HB ))
2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.94279E-03 ppm1 1.112 ppm2 4.095 CV 1
ASSI { 221}
(( segid "AAAA" and resid 22 and name HG1 ))
( segid "AAAA" and resid 20 and name HE% )
2.500 2.500 3.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 0.877 ppm2 7.102 CV 1
OR { 221}
( segid "AAAA" and resid 95 and name HG2%)
(( segid "BBBB" and resid 75 and name HN ))
OR { 221}
( segid "BBBB" and resid 95 and name HG2%)
(( segid "AAAA" and resid 75 and name HN ))
OR { 221}
( segid "AAAA" and resid 95 and name HG2%)
( segid "BBBB" and resid 73 and name HE% )
ASSI { 222}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 86 and name HG2 ))
1.900 1.900 4.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.21910E-02 ppm1 1.475 ppm2 2.316 CV 1
OR { 222}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 222}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 222}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 226}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
2.300 2.300 3.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 1.873 ppm2 2.328 CV 1
OR { 226}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
OR { 226}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 226}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 226}
(( segid "BBBB" and resid 29 and name HB2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 226}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 228}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 77 and name HZ3 ))
2.300 2.300 3.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 2.811 ppm2 6.582 CV 1
OR { 228}
(( segid "AAAA" and resid 76 and name HB2 ))
( segid "AAAA" and resid 73 and name HD% )
ASSI { 229}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 85 and name HA ))
2.300 0.600 0.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 1.709 ppm2 3.504 CV 1
ASSI { 230}
(( segid "AAAA" and resid 38 and name HA ))
( segid "AAAA" and resid 38 and name HD% )
2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.13413E-02 ppm1 4.194 ppm2 7.020 CV 1
OR { 230}
(( segid "BBBB" and resid 38 and name HA ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 231}
(( segid "BBBB" and resid 21 and name HA ))
( segid "BBBB" and resid 21 and name HE% )
2.500 2.500 3.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 3.760 ppm2 7.073 CV 1
OR { 231}
(( segid "AAAA" and resid 21 and name HA ))
( segid "AAAA" and resid 21 and name HE% )
ASSI { 233}
(( segid "BBBB" and resid 10 and name HB2 ))
(( segid "AAAA" and resid 90 and name HB2 ))
2.500 2.500 3.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.70944E-03 ppm1 1.955 ppm2 2.070 CV 1
ASSI { 234}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
1.700 1.700 4.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.15653E-02 ppm1 3.069 ppm2 3.328 CV 1
OR { 234}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 236}
(( segid "AAAA" and resid 25 and name HA2 ))
(( segid "AAAA" and resid 25 and name HA1 ))
2.700 2.700 3.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.47074E-03 ppm1 3.889 ppm2 4.153 CV 1
ASSI { 237}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 32 and name HB2 ))
4.400 2.700 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.98914E-03 ppm1 1.709 ppm2 3.703 CV 1
ASSI { 238}
(( segid "AAAA" and resid 85 and name HD2 ))
(( segid "AAAA" and resid 81 and name HA2 ))
2.000 2.000 4.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11813E-02 ppm1 1.615 ppm2 3.832 CV 1
ASSI { 239}
(( segid "AAAA" and resid 21 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.12710E-02 ppm1 3.315 ppm2 3.861 CV 1
OR { 239}
(( segid "BBBB" and resid 21 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
ASSI { 240}
(( segid "AAAA" and resid 35 and name HB ))
(( segid "AAAA" and resid 35 and name HA ))
1.900 0.500 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.45277E-03 ppm1 2.014 ppm2 4.177 CV 1
OR { 240}
(( segid "BBBB" and resid 35 and name HB ))
(( segid "BBBB" and resid 35 and name HA ))
OR { 240}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 241}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 59 and name HN ))
2.300 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 1.897 ppm2 7.957 CV 1
OR { 241}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 87 and name HN ))
ASSI { 242}
(( segid "BBBB" and resid 73 and name HB2 ))
( segid "BBBB" and resid 73 and name HD% )
2.300 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.12096E-02 ppm1 3.022 ppm2 6.582 CV 1
OR { 242}
(( segid "BBBB" and resid 20 and name HB2 ))
( segid "BBBB" and resid 20 and name HD% )
ASSI { 243}
(( segid "BBBB" and resid 49 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
2.200 2.200 3.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.15795E-02 ppm1 1.580 ppm2 3.352 CV 1
ASSI { 246}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 3 and name HA ))
1.800 1.800 4.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 2.764 ppm2 4.288 CV 1
OR { 246}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 3 and name HA ))
OR { 246}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 22 and name HB ))
ASSI { 252}
(( segid "AAAA" and resid 96 and name HD2 ))
(( segid "AAAA" and resid 92 and name HA ))
2.200 2.200 3.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 3.069 ppm2 3.855 CV 1
OR { 252}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
OR { 252}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 53 and name HA ))
ASSI { 253}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 1 and name HG2 ))
2.600 2.600 3.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 1.100 ppm2 2.515 CV 1
ASSI { 259}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 75 and name HA ))
2.900 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.45092E-03 ppm1 4.030 ppm2 4.364 CV 1
OR { 259}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 75 and name HA ))
ASSI { 260}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
2.100 2.100 3.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 1.791 ppm2 2.334 CV 1
OR { 260}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 82 and name HG2 ))
OR { 260}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
OR { 260}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 82 and name HG2 ))
ASSI { 261}
(( segid "BBBB" and resid 51 and name HG2 ))
(( segid "BBBB" and resid 46 and name HN ))
2.400 2.400 3.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.84421E-03 ppm1 1.369 ppm2 7.284 CV 1
ASSI { 267}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 42 and name HN ))
2.500 2.500 3.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.74973E-03 ppm1 1.428 ppm2 8.501 CV 1
OR { 267}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 42 and name HN ))
ASSI { 268}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.200 2.200 3.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 1.897 ppm2 2.814 CV 1
ASSI { 269}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 15 and name HB ))
2.600 2.600 3.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.94828E-03 ppm1 2.483 ppm2 4.405 CV 1
OR { 269}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 15 and name HB ))
OR { 269}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 35 and name HA ))
OR { 269}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 35 and name HA ))
ASSI { 271}
(( segid "AAAA" and resid 32 and name HB2 ))
(( segid "AAAA" and resid 32 and name HA ))
2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.69417E-03 ppm1 3.655 ppm2 5.160 CV 1
OR { 271}
(( segid "BBBB" and resid 32 and name HB2 ))
(( segid "BBBB" and resid 32 and name HA ))
ASSI { 272}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 96 and name HA ))
1.800 1.800 4.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 3.092 ppm2 4.229 CV 1
OR { 272}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 49 and name HA ))
OR { 272}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 44 and name HA ))
OR { 272}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 97 and name HA ))
ASSI { 275}
(( segid "BBBB" and resid 83 and name HB2 ))
(( segid "BBBB" and resid 82 and name HB2 ))
5.400 3.200 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 1.791 ppm2 2.047 CV 1
OR { 275}
(( segid "AAAA" and resid 83 and name HB2 ))
(( segid "AAAA" and resid 82 and name HB2 ))
ASSI { 276}
( segid "BBBB" and resid 80 and name HG2%)
(( segid "BBBB" and resid 79 and name HN ))
2.400 2.400 3.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.11142E-02 ppm1 0.713 ppm2 6.857 CV 1
OR { 276}
( segid "BBBB" and resid 80 and name HG2%)
( segid "BBBB" and resid 76 and name HD% )
OR { 276}
( segid "AAAA" and resid 80 and name HG2%)
( segid "AAAA" and resid 76 and name HD% )
ASSI { 277}
(( segid "BBBB" and resid 19 and name HG1 ))
(( segid "BBBB" and resid 19 and name HN ))
2.100 2.100 3.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11672E-02 ppm1 1.252 ppm2 8.641 CV 1
ASSI { 278}
(( segid "AAAA" and resid 41 and name HG ))
( segid "AAAA" and resid 38 and name HD% )
2.600 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 0.994 ppm2 7.015 CV 1
OR { 278}
(( segid "BBBB" and resid 41 and name HG ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 279}
(( segid "BBBB" and resid 85 and name HG2 ))
(( segid "BBBB" and resid 85 and name HE2 ))
2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.95827E-03 ppm1 1.498 ppm2 3.048 CV 1
OR { 279}
(( segid "AAAA" and resid 85 and name HG2 ))
(( segid "AAAA" and resid 85 and name HE2 ))
ASSI { 284}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 42 and name HA ))
2.800 2.800 3.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.77850E-03 ppm1 1.240 ppm2 3.451 CV 1
OR { 284}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 285}
(( segid "BBBB" and resid 75 and name HB2 ))
(( segid "BBBB" and resid 77 and name HH2 ))
2.400 2.400 3.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.13874E-02 ppm1 2.319 ppm2 7.254 CV 1
OR { 285}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 77 and name HH2 ))
OR { 285}
(( segid "AAAA" and resid 75 and name HB2 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 285}
(( segid "AAAA" and resid 82 and name HG2 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 285}
(( segid "BBBB" and resid 82 and name HG2 ))
(( segid "BBBB" and resid 78 and name HN ))
OR { 285}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 77 and name HH2 ))
ASSI { 287}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "BBBB" and resid 84 and name HA ))
1.500 1.500 4.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 1.451 ppm2 3.551 CV 1
OR { 287}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 287}
(( segid "BBBB" and resid 9 and name HG ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 287}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 287}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "BBBB" and resid 85 and name HA ))
OR { 287}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 287}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 287}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 288}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "BBBB" and resid 84 and name HA ))
2.000 2.000 4.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.63688E-03 ppm1 1.475 ppm2 3.586 CV 1
OR { 288}
(( segid "BBBB" and resid 83 and name HG ))
(( segid "AAAA" and resid 84 and name HA ))
OR { 288}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "BBBB" and resid 84 and name HA ))
OR { 288}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 289}
(( segid "AAAA" and resid 98 and name HG2 ))
(( segid "AAAA" and resid 97 and name HN ))
2.400 2.400 3.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 1.276 ppm2 8.243 CV 1
OR { 289}
(( segid "BBBB" and resid 98 and name HG2 ))
(( segid "BBBB" and resid 97 and name HN ))
ASSI { 294}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "AAAA" and resid 85 and name HA ))
3.000 3.000 3.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.53159E-03 ppm1 1.182 ppm2 3.516 CV 1
OR { 294}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 297}
(( segid "AAAA" and resid 80 and name HB ))
(( segid "AAAA" and resid 77 and name HB2 ))
2.500 2.500 3.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.77967E-03 ppm1 1.381 ppm2 3.007 CV 1
ASSI { 298}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 86 and name HA ))
2.500 2.500 3.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.86656E-03 ppm1 3.561 ppm2 4.101 CV 1
OR { 298}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
ASSI { 299}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 84 and name HA ))
2.800 2.800 3.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.61548E-03 ppm1 2.072 ppm2 3.545 CV 1
OR { 299}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 84 and name HA ))
ASSI { 300}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 76 and name HA ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13712E-02 ppm1 2.881 ppm2 4.083 CV 1
ASSI { 301}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 20 and name HN ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.13597E-02 ppm1 3.080 ppm2 7.026 CV 1
OR { 301}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 20 and name HN ))
OR { 301}
(( segid "BBBB" and resid 38 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 302}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "BBBB" and resid 17 and name HA ))
2.600 2.600 3.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 3.057 ppm2 4.112 CV 1
OR { 302}
(( segid "AAAA" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 17 and name HA ))
ASSI { 305}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HD2 ))
2.600 2.600 3.400 peak 305 spectrum 1 weight 0.10000E+01 volume 0.33874E-03 ppm1 1.194 ppm2 1.556 CV 1
ASSI { 308}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 5 and name HA ))
2.700 2.700 3.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.72880E-03 ppm1 2.752 ppm2 4.118 CV 1
OR { 308}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 5 and name HA ))
ASSI { 311}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "AAAA" and resid 80 and name HA ))
2.600 2.600 3.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.67670E-03 ppm1 2.131 ppm2 3.258 CV 1
OR { 311}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
OR { 311}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 311}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
OR { 311}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
OR { 311}
(( segid "BBBB" and resid 86 and name HB2 ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 312}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "AAAA" and resid 11 and name HN ))
2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.68850E-03 ppm1 1.487 ppm2 9.279 CV 1
OR { 312}
(( segid "BBBB" and resid 6 and name HG ))
(( segid "BBBB" and resid 11 and name HN ))
OR { 312}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 77 and name HN ))
OR { 312}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 77 and name HN ))
ASSI { 313}
(( segid "AAAA" and resid 66 and name HB2 ))
( segid "AAAA" and resid 38 and name HD% )
2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 3.221 ppm2 7.026 CV 1
OR { 313}
(( segid "BBBB" and resid 66 and name HB2 ))
( segid "BBBB" and resid 38 and name HD% )
ASSI { 314}
(( segid "AAAA" and resid 60 and name HB2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
2.300 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.11531E-02 ppm1 1.733 ppm2 2.234 CV 1
OR { 314}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
ASSI { 316}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 41 and name HB2 ))
2.700 2.700 3.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.69356E-03 ppm1 1.205 ppm2 1.608 CV 1
OR { 316}
(( segid "BBBB" and resid 62 and name HG1 ))
(( segid "BBBB" and resid 41 and name HB2 ))
OR { 316}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 41 and name HB2 ))
OR { 316}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 41 and name HB2 ))
OR { 316}
(( segid "AAAA" and resid 15 and name HG1 ))
(( segid "AAAA" and resid 13 and name HG11))
OR { 316}
(( segid "BBBB" and resid 15 and name HG1 ))
(( segid "BBBB" and resid 13 and name HG11))
ASSI { 317}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
2.200 2.200 3.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.92705E-03 ppm1 2.084 ppm2 3.311 CV 1
ASSI { 318}
(( segid "AAAA" and resid 30 and name HB2 ))
(( segid "AAAA" and resid 76 and name HB2 ))
2.300 2.300 3.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 1.862 ppm2 2.855 CV 1
OR { 318}
(( segid "BBBB" and resid 61 and name HB2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
ASSI { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HD1 ))
1.900 1.900 4.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.67869E-03 ppm1 1.463 ppm2 7.254 CV 1
OR { 322}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 77 and name HH2 ))
ASSI { 323}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 57 and name HB2 ))
3.000 3.000 3.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.39253E-03 ppm1 2.201 ppm2 2.515 CV 1
OR { 323}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 324}
(( segid "BBBB" and resid 47 and name HB1 ))
(( segid "BBBB" and resid 48 and name HB2 ))
2.200 2.200 3.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 2.014 ppm2 3.340 CV 1
OR { 324}
(( segid "BBBB" and resid 47 and name HB2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 329}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
2.100 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26364E-03 ppm1 2.084 ppm2 2.445 CV 1
OR { 329}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 40 and name HG2 ))
ASSI { 330}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.17195E-02 ppm1 1.697 ppm2 2.310 CV 1
OR { 330}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 330}
(( segid "AAAA" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 332}
(( segid "AAAA" and resid 96 and name HB2 ))
(( segid "AAAA" and resid 93 and name HA ))
5.500 3.700 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.40051E-03 ppm1 1.756 ppm2 4.095 CV 1
ASSI { 333}
(( segid "BBBB" and resid 27 and name HB2 ))
(( segid "BBBB" and resid 27 and name HG2 ))
2.400 0.700 0.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.97006E-03 ppm1 1.791 ppm2 2.205 CV 1
ASSI { 335}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 7 and name HB ))
2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.59767E-03 ppm1 4.487 ppm2 4.926 CV 1
ASSI { 337}
(( segid "AAAA" and resid 9 and name HG ))
(( segid "AAAA" and resid 7 and name HB ))
2.700 2.700 3.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.48135E-03 ppm1 1.428 ppm2 4.926 CV 1
ASSI { 343}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 60 and name HA ))
2.600 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.56080E-03 ppm1 2.237 ppm2 3.328 CV 1
OR { 343}
(( segid "AAAA" and resid 60 and name HG2 ))
(( segid "AAAA" and resid 56 and name HA ))
ASSI { 344}
(( segid "BBBB" and resid 88 and name HB2 ))
(( segid "BBBB" and resid 87 and name HN ))
2.500 2.500 3.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.64293E-03 ppm1 1.487 ppm2 7.957 CV 1
OR { 344}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 87 and name HN ))
OR { 344}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 43 and name HN ))
OR { 344}
(( segid "AAAA" and resid 83 and name HG ))
(( segid "AAAA" and resid 87 and name HN ))
ASSI { 346}
(( segid "AAAA" and resid 46 and name HG ))
(( segid "AAAA" and resid 53 and name HB ))
5.500 3.700 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.36832E-03 ppm1 1.088 ppm2 1.608 CV 1
OR { 346}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 53 and name HB ))
ASSI { 350}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.800 2.800 3.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.76353E-03 ppm1 1.194 ppm2 2.527 CV 1
OR { 350}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 1 and name HG2 ))
OR { 350}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 350}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 57 and name HB2 ))
ASSI { 355}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 72 and name HD2 ))
2.800 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.66376E-03 ppm1 2.319 ppm2 3.305 CV 1
OR { 355}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 356}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 77 and name HA ))
2.500 2.500 3.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 1.979 ppm2 3.750 CV 1
OR { 356}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 77 and name HA ))
OR { 356}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 54 and name HA2 ))
ASSI { 361}
(( segid "AAAA" and resid 82 and name HB2 ))
(( segid "AAAA" and resid 80 and name HA ))
1.900 1.900 4.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.79534E-03 ppm1 2.037 ppm2 3.264 CV 1
OR { 361}
(( segid "BBBB" and resid 82 and name HB2 ))
(( segid "BBBB" and resid 80 and name HA ))
ASSI { 363}
(( segid "BBBB" and resid 52 and name HN ))
(( segid "BBBB" and resid 54 and name HN ))
3.000 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.26460E-03 ppm1 8.448 ppm2 8.571 CV 1
ASSI { 366}
(( segid "BBBB" and resid 17 and name HB ))
(( segid "BBBB" and resid 17 and name HN ))
2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.57007E-03 ppm1 2.260 ppm2 8.243 CV 1
ASSI { 367}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 90 and name HB2 ))
2.600 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.60380E-03 ppm1 0.994 ppm2 2.076 CV 1
OR { 367}
(( segid "AAAA" and resid 41 and name HG ))
(( segid "AAAA" and resid 37 and name HB2 ))
ASSI { 371}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 2 and name HA ))
4.300 3.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.63054E-03 ppm1 1.229 ppm2 4.364 CV 1
ASSI { 372}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 21 and name HA ))
2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.70040E-03 ppm1 2.776 ppm2 3.843 CV 1
OR { 372}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 21 and name HA ))
ASSI { 374}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 36 and name HA ))
2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.49025E-03 ppm1 2.881 ppm2 4.452 CV 1
ASSI { 375}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 38 and name HE% )
5.600 3.900 2.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.31367E-03 ppm1 6.702 ppm2 7.020 CV 1
OR { 375}
( segid "AAAA" and resid 23 and name HD% )
( segid "AAAA" and resid 38 and name HD% )
ASSI { 381}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 6 and name HB2 ))
3.400 1.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.44418E-03 ppm1 1.205 ppm2 1.684 CV 1
OR { 381}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 63 and name HB2 ))
ASSI { 382}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 84 and name HA ))
2.600 2.600 3.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.69175E-03 ppm1 1.920 ppm2 3.522 CV 1
ASSI { 383}
(( segid "AAAA" and resid 72 and name HG2 ))
(( segid "AAAA" and resid 31 and name HA1 ))
2.500 2.500 3.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.72273E-03 ppm1 1.709 ppm2 3.855 CV 1
OR { 383}
(( segid "BBBB" and resid 72 and name HG2 ))
(( segid "BBBB" and resid 31 and name HA1 ))
ASSI { 386}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 56 and name HA ))
2.500 2.500 3.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.80935E-03 ppm1 1.440 ppm2 3.276 CV 1
OR { 386}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 386}
(( segid "AAAA" and resid 61 and name HG2 ))
(( segid "AAAA" and resid 60 and name HA ))
OR { 386}
(( segid "AAAA" and resid 71 and name HG ))
(( segid "AAAA" and resid 72 and name HD2 ))
OR { 386}
(( segid "BBBB" and resid 71 and name HG ))
(( segid "BBBB" and resid 72 and name HD2 ))
ASSI { 388}
(( segid "BBBB" and resid 45 and name HG2 ))
(( segid "BBBB" and resid 42 and name HA ))
2.800 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.37330E-03 ppm1 2.283 ppm2 3.475 CV 1
ASSI { 391}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 63 and name HA ))
1.700 1.700 4.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.98895E-03 ppm1 3.315 ppm2 4.206 CV 1
OR { 391}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 62 and name HA ))
ASSI { 398}
(( segid "AAAA" and resid 19 and name HG1 ))
( segid "AAAA" and resid 20 and name HD% )
2.700 2.700 3.300 peak 398 spectrum 1 weight 0.10000E+01 volume 0.91507E-03 ppm1 1.252 ppm2 6.857 CV 1
OR { 398}
(( segid "BBBB" and resid 19 and name HG1 ))
( segid "BBBB" and resid 20 and name HD% )
ASSI { 405}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 77 and name HD1 ))
1.200 1.200 4.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.41122E-03 ppm1 3.561 ppm2 7.278 CV 1
OR { 405}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 77 and name HD1 ))
ASSI { 411}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 39 and name HD2 ))
2.500 2.500 3.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.34539E-03 ppm1 1.088 ppm2 1.684 CV 1
OR { 411}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 39 and name HD2 ))
ASSI { 419}
(( segid "AAAA" and resid 97 and name HG2 ))
(( segid "BBBB" and resid 29 and name HG2 ))
2.700 2.700 3.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.17330E-03 ppm1 1.311 ppm2 1.760 CV 1
ASSI { 423}
(( segid "BBBB" and resid 13 and name HG12))
(( segid "BBBB" and resid 16 and name HB ))
2.600 2.600 3.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 1.815 ppm2 2.638 CV 1
ASSI { 427}
(( segid "BBBB" and resid 47 and name HD1 ))
(( segid "BBBB" and resid 42 and name HA ))
1.600 1.600 4.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.36979E-03 ppm1 3.209 ppm2 3.463 CV 1
OR { 427}
(( segid "BBBB" and resid 80 and name HA ))
(( segid "BBBB" and resid 13 and name HA ))
OR { 427}
(( segid "AAAA" and resid 80 and name HA ))
(( segid "AAAA" and resid 13 and name HA ))
OR { 427}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 34 and name HB2 ))
OR { 427}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 42 and name HA ))
ASSI { 429}
(( segid "BBBB" and resid 41 and name HG ))
(( segid "AAAA" and resid 1 and name HA ))
2.800 2.800 3.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.37860E-03 ppm1 0.983 ppm2 4.370 CV 1
OR { 429}
(( segid "AAAA" and resid 89 and name HG2 ))
(( segid "BBBB" and resid 6 and name HA ))
OR { 429}
(( segid "BBBB" and resid 89 and name HG2 ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 433}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
1.100 1.100 4.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.71403E-03 ppm1 2.166 ppm2 2.773 CV 1
OR { 433}
(( segid "AAAA" and resid 71 and name HB2 ))
(( segid "AAAA" and resid 73 and name HB2 ))
ASSI { 441}
(( segid "AAAA" and resid 72 and name HA ))
(( segid "AAAA" and resid 32 and name HA ))
2.900 2.900 3.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.32724E-03 ppm1 4.909 ppm2 5.160 CV 1
ASSI { 442}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 51 and name HN ))
2.000 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.61839E-03 ppm1 1.791 ppm2 7.102 CV 1
ASSI { 443}
(( segid "BBBB" and resid 36 and name HB2 ))
( segid "BBBB" and resid 23 and name HD% )
2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.69313E-03 ppm1 2.893 ppm2 6.874 CV 1
OR { 443}
(( segid "AAAA" and resid 36 and name HB2 ))
( segid "AAAA" and resid 23 and name HD% )
ASSI { 445}
(( segid "BBBB" and resid 59 and name HG2 ))
(( segid "BBBB" and resid 59 and name HN ))
3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.52665E-03 ppm1 1.205 ppm2 7.933 CV 1
OR { 445}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 59 and name HN ))
OR { 445}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 5 and name HN ))
OR { 445}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 5 and name HN ))
OR { 445}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 87 and name HN ))
ASSI { 449}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 54 and name HA2 ))
2.600 2.600 3.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.57341E-03 ppm1 2.729 ppm2 3.756 CV 1
ASSI { 450}
( segid "AAAA" and resid 20 and name HD% )
( segid "AAAA" and resid 23 and name HE% )
2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.33967E-03 ppm1 6.573 ppm2 6.974 CV 1
ASSI { 451}
(( segid "AAAA" and resid 98 and name HE2 ))
(( segid "AAAA" and resid 96 and name HA ))
1.700 1.700 4.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.27181E-03 ppm1 3.186 ppm2 4.241 CV 1
OR { 451}
(( segid "BBBB" and resid 98 and name HE2 ))
(( segid "BBBB" and resid 96 and name HA ))
ASSI { 457}
(( segid "BBBB" and resid 78 and name HD2 ))
(( segid "BBBB" and resid 69 and name HA ))
3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.28189E-03 ppm1 3.162 ppm2 4.329 CV 1
OR { 457}
(( segid "AAAA" and resid 89 and name HE2 ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 459}
(( segid "BBBB" and resid 52 and name HB2 ))
(( segid "BBBB" and resid 51 and name HN ))
2.600 2.600 3.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.59913E-03 ppm1 2.740 ppm2 7.079 CV 1
OR { 459}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 51 and name HN ))
OR { 459}
(( segid "BBBB" and resid 23 and name HB2 ))
( segid "BBBB" and resid 21 and name HE% )
ASSI { 460}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 34 and name HB2 ))
5.500 3.700 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.30153E-03 ppm1 2.119 ppm2 3.451 CV 1
ASSI { 461}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 66 and name HA ))
2.500 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.53269E-03 ppm1 3.221 ppm2 4.194 CV 1
OR { 461}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 66 and name HA ))
ASSI { 464}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 14 and name HN ))
2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.48125E-03 ppm1 2.061 ppm2 8.401 CV 1
OR { 464}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
ASSI { 465}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 34 and name HA ))
2.900 2.900 3.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.52700E-03 ppm1 3.080 ppm2 4.932 CV 1
OR { 465}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
OR { 465}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 70 and name HA ))
OR { 465}
(( segid "AAAA" and resid 68 and name HB2 ))
(( segid "AAAA" and resid 70 and name HA ))
ASSI { 467}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 43 and name HA ))
2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.37512E-03 ppm1 2.530 ppm2 3.832 CV 1
ASSI { 468}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 56 and name HA ))
2.700 2.700 3.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.47230E-03 ppm1 2.506 ppm2 3.328 CV 1
OR { 468}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 60 and name HA ))
ASSI { 469}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 22 and name HN ))
2.800 2.800 3.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.33249E-03 ppm1 7.323 ppm2 8.501 CV 1
OR { 469}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 22 and name HN ))
ASSI { 470}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 60 and name HA ))
2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.60424E-03 ppm1 1.205 ppm2 3.328 CV 1
OR { 470}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HA ))
OR { 470}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 56 and name HA ))
ASSI { 472}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 70 and name HA ))
2.900 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.61991E-03 ppm1 2.084 ppm2 4.961 CV 1
OR { 472}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 70 and name HA ))
ASSI { 473}
(( segid "AAAA" and resid 20 and name HA ))
(( segid "AAAA" and resid 21 and name HA ))
2.600 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.64214E-03 ppm1 3.420 ppm2 3.837 CV 1
OR { 473}
(( segid "BBBB" and resid 20 and name HA ))
(( segid "BBBB" and resid 21 and name HA ))
ASSI { 474}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
4.300 2.300 1.700 peak 474 spectrum 1 weight 0.10000E+01 volume 0.29749E-04 ppm1 2.905 ppm2 3.106 CV 1
ASSI { 475}
(( segid "BBBB" and resid 79 and name HG ))
(( segid "BBBB" and resid 71 and name HA ))
2.800 2.800 3.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.36181E-03 ppm1 1.533 ppm2 5.745 CV 1
OR { 475}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 71 and name HA ))
ASSI { 480}
(( segid "BBBB" and resid 37 and name HG2 ))
(( segid "BBBB" and resid 23 and name HB2 ))
3.000 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.44735E-03 ppm1 2.377 ppm2 2.773 CV 1
OR { 480}
(( segid "AAAA" and resid 37 and name HG2 ))
(( segid "AAAA" and resid 23 and name HB2 ))
ASSI { 481}
(( segid "AAAA" and resid 21 and name HA ))
( segid "AAAA" and resid 21 and name HD% )
2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.44422E-03 ppm1 4.147 ppm2 6.704 CV 1
ASSI { 483}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "AAAA" and resid 4 and name HG2 ))
2.900 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.46499E-03 ppm1 1.194 ppm2 2.199 CV 1
OR { 483}
( segid "BBBB" and resid 5 and name HG2%)
(( segid "BBBB" and resid 4 and name HG2 ))
OR { 483}
(( segid "AAAA" and resid 62 and name HG1 ))
(( segid "AAAA" and resid 65 and name HB ))
OR { 483}
(( segid "AAAA" and resid 59 and name HG2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 483}
(( segid "AAAA" and resid 63 and name HG ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 483}
(( segid "BBBB" and resid 63 and name HG ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 484}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 60 and name HG2 ))
2.800 2.800 3.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.40741E-03 ppm1 1.311 ppm2 2.182 CV 1
OR { 484}
(( segid "AAAA" and resid 39 and name HG2 ))
(( segid "AAAA" and resid 60 and name HG2 ))
OR { 484}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 485}
(( segid "BBBB" and resid 30 and name HB2 ))
(( segid "BBBB" and resid 73 and name HB2 ))
4.900 3.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.31544E-03 ppm1 1.885 ppm2 3.018 CV 1
ASSI { 488}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 11 and name HN ))
3.200 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.36306E-03 ppm1 4.123 ppm2 9.285 CV 1
OR { 488}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 11 and name HN ))
OR { 488}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 11 and name HN ))
OR { 488}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 11 and name HN ))
ASSI { 491}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
3.700 1.700 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.74284E-04 ppm1 3.057 ppm2 3.252 CV 1
ASSI { 493}
( segid "AAAA" and resid 80 and name HG2%)
(( segid "AAAA" and resid 77 and name HA ))
2.900 2.900 3.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.34011E-03 ppm1 0.760 ppm2 3.738 CV 1
ASSI { 494}
(( segid "BBBB" and resid 67 and name HG2 ))
(( segid "BBBB" and resid 64 and name HB2 ))
3.000 3.000 3.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.45433E-03 ppm1 2.283 ppm2 2.895 CV 1
OR { 494}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 64 and name HB2 ))
ASSI { 496}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 14 and name HN ))
3.300 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.28648E-03 ppm1 3.889 ppm2 8.401 CV 1
OR { 496}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 14 and name HN ))
ASSI { 497}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 59 and name HN ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.35466E-03 ppm1 4.123 ppm2 7.945 CV 1
OR { 497}
(( segid "BBBB" and resid 11 and name HA ))
(( segid "BBBB" and resid 12 and name HN ))
OR { 497}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 12 and name HN ))
ASSI { 498}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 20 and name HB2 ))
2.700 2.700 3.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.53002E-03 ppm1 2.717 ppm2 3.036 CV 1
OR { 498}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 38 and name HB2 ))
ASSI { 501}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 23 and name HA ))
4.300 2.300 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.35100E-04 ppm1 3.655 ppm2 3.914 CV 1
OR { 501}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 26 and name HA ))
OR { 501}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 26 and name HA ))
ASSI { 502}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "AAAA" and resid 11 and name HA ))
3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.24259E-03 ppm1 3.737 ppm2 4.118 CV 1
OR { 502}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 86 and name HA ))
OR { 502}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 76 and name HA ))
OR { 502}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 76 and name HA ))
ASSI { 504}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
2.900 2.900 3.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.58759E-03 ppm1 2.729 ppm2 3.247 CV 1
OR { 504}
(( segid "BBBB" and resid 23 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
ASSI { 506}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 13 and name HA ))
3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21534E-03 ppm1 1.967 ppm2 3.457 CV 1
ASSI { 511}
(( segid "BBBB" and resid 14 and name HG2 ))
(( segid "BBBB" and resid 10 and name HA ))
1.600 1.600 4.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.60525E-03 ppm1 2.436 ppm2 3.732 CV 1
OR { 511}
(( segid "AAAA" and resid 14 and name HG2 ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 511}
(( segid "AAAA" and resid 44 and name HG2 ))
(( segid "AAAA" and resid 54 and name HA2 ))
ASSI { 512}
(( segid "AAAA" and resid 77 and name HA ))
(( segid "AAAA" and resid 79 and name HN ))
3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.42270E-03 ppm1 3.760 ppm2 6.868 CV 1
OR { 512}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 79 and name HN ))
OR { 512}
(( segid "AAAA" and resid 77 and name HA ))
( segid "AAAA" and resid 76 and name HD% )
ASSI { 515}
(( segid "AAAA" and resid 44 and name HB2 ))
(( segid "AAAA" and resid 44 and name HN ))
2.600 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.64695E-03 ppm1 2.342 ppm2 8.413 CV 1
ASSI { 516}
(( segid "AAAA" and resid 70 and name HB2 ))
(( segid "AAAA" and resid 34 and name HN ))
2.600 2.600 3.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.56158E-03 ppm1 1.721 ppm2 8.501 CV 1
OR { 516}
(( segid "BBBB" and resid 70 and name HB2 ))
(( segid "BBBB" and resid 34 and name HN ))
ASSI { 521}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 54 and name HA1 ))
2.800 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.29029E-03 ppm1 3.127 ppm2 3.966 CV 1
OR { 521}
(( segid "BBBB" and resid 68 and name HB2 ))
(( segid "BBBB" and resid 78 and name HA ))
ASSI { 525}
(( segid "BBBB" and resid 59 and name HD2 ))
(( segid "BBBB" and resid 54 and name HA2 ))
2.800 1.000 1.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.38285E-03 ppm1 3.069 ppm2 3.750 CV 1
ASSI { 527}
(( segid "AAAA" and resid 34 and name HB2 ))
(( segid "AAAA" and resid 34 and name HA ))
3.000 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.45308E-03 ppm1 3.467 ppm2 4.926 CV 1
OR { 527}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 34 and name HA ))
ASSI { 529}
(( segid "AAAA" and resid 79 and name HG ))
(( segid "AAAA" and resid 70 and name HA ))
3.100 3.100 2.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.29465E-03 ppm1 1.522 ppm2 4.978 CV 1
OR { 529}
(( segid "BBBB" and resid 33 and name HG ))
(( segid "BBBB" and resid 70 and name HA ))
OR { 529}
(( segid "AAAA" and resid 33 and name HG ))
(( segid "AAAA" and resid 70 and name HA ))
ASSI { 530}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 6 and name HA ))
3.200 3.200 2.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.34101E-03 ppm1 3.057 ppm2 4.382 CV 1
OR { 530}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 6 and name HA ))
ASSI { 531}
(( segid "AAAA" and resid 43 and name HG1 ))
(( segid "AAAA" and resid 40 and name HB2 ))
5.500 3.700 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.28891E-03 ppm1 1.088 ppm2 2.018 CV 1
OR { 531}
(( segid "BBBB" and resid 43 and name HG1 ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 534}
(( segid "AAAA" and resid 39 and name HB2 ))
(( segid "AAAA" and resid 39 and name HN ))
2.600 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.55526E-03 ppm1 1.967 ppm2 8.407 CV 1
ASSI { 535}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
2.200 2.200 3.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.71732E-03 ppm1 3.467 ppm2 4.165 CV 1
OR { 535}
(( segid "BBBB" and resid 42 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
ASSI { 536}
(( segid "BBBB" and resid 21 and name HB2 ))
( segid "BBBB" and resid 21 and name HE% )
2.800 1.000 1.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.37711E-03 ppm1 2.143 ppm2 7.102 CV 1
ASSI { 537}
(( segid "AAAA" and resid 51 and name HE2 ))
(( segid "AAAA" and resid 48 and name HB2 ))
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.69864E-04 ppm1 3.115 ppm2 3.311 CV 1
OR { 537}
(( segid "BBBB" and resid 51 and name HE2 ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 540}
(( segid "AAAA" and resid 85 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
2.000 2.000 4.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.51312E-02 ppm1 3.573 ppm2 1.146 CV 1
OR { 540}
(( segid "BBBB" and resid 85 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 542}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
1.700 1.700 4.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.80720E-02 ppm1 2.576 ppm2 2.486 CV 1
ASSI { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA1 ))
2.300 0.700 0.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 3.901 ppm2 3.785 CV 1
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 82 and name HA ))
OR { 544}
(( segid "AAAA" and resid 29 and name HA ))
(( segid "AAAA" and resid 28 and name HA2 ))
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "BBBB" and resid 28 and name HA2 ))
OR { 544}
(( segid "BBBB" and resid 31 and name HA1 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 31 and name HA1 ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 544}
(( segid "AAAA" and resid 18 and name HB2 ))
(( segid "AAAA" and resid 16 and name HA ))
OR { 544}
(( segid "BBBB" and resid 18 and name HB2 ))
(( segid "BBBB" and resid 16 and name HA ))
OR { 544}
(( segid "BBBB" and resid 40 and name HA ))
(( segid "BBBB" and resid 43 and name HA ))
OR { 544}
(( segid "AAAA" and resid 92 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 31 and name HA2 ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 544}
(( segid "BBBB" and resid 29 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
ASSI { 547}
(( segid "BBBB" and resid 46 and name HG ))
( segid "BBBB" and resid 43 and name HG2%)
1.000 1.000 5.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.74585E-02 ppm1 1.416 ppm2 1.292 CV 1
OR { 547}
(( segid "AAAA" and resid 46 and name HG ))
( segid "AAAA" and resid 43 and name HG2%)
ASSI { 548}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
1.800 1.800 4.200 peak 548 spectrum 1 weight 0.10000E+01 volume 0.48956E-02 ppm1 2.530 ppm2 2.433 CV 1
ASSI { 550}
(( segid "BBBB" and resid 97 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
1.100 1.100 4.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.11455E-01 ppm1 1.697 ppm2 0.830 CV 1
OR { 550}
(( segid "BBBB" and resid 98 and name HB2 ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 550}
(( segid "AAAA" and resid 98 and name HB2 ))
( segid "AAAA" and resid 95 and name HG2%)
ASSI { 552}
(( segid "AAAA" and resid 67 and name HG2 ))
(( segid "AAAA" and resid 67 and name HB2 ))
1.500 0.300 0.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.67626E-02 ppm1 2.319 ppm2 2.158 CV 1
ASSI { 553}
( segid "AAAA" and resid 5 and name HG2%)
(( segid "BBBB" and resid 89 and name HG2 ))
1.700 1.700 4.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.51576E-02 ppm1 1.194 ppm2 1.006 CV 1
ASSI { 557}
(( segid "BBBB" and resid 6 and name HB2 ))
(( segid "BBBB" and resid 6 and name HG ))
1.700 0.300 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.85014E-02 ppm1 1.697 ppm2 1.462 CV 1
OR { 557}
(( segid "AAAA" and resid 46 and name HB2 ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 557}
(( segid "AAAA" and resid 9 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 557}
(( segid "BBBB" and resid 9 and name HB2 ))
(( segid "BBBB" and resid 6 and name HG ))
ASSI { 559}
(( segid "BBBB" and resid 44 and name HA ))
( segid "AAAA" and resid 7 and name HG2%)
0.900 0.900 5.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.50096E-02 ppm1 4.229 ppm2 1.357 CV 1
OR { 559}
(( segid "AAAA" and resid 4 and name HA ))
(( segid "BBBB" and resid 51 and name HG2 ))
ASSI { 560}
(( segid "BBBB" and resid 53 and name HA ))
(( segid "BBBB" and resid 51 and name HG2 ))
1.700 1.700 4.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.50780E-02 ppm1 3.877 ppm2 1.380 CV 1
OR { 560}
(( segid "AAAA" and resid 53 and name HA ))
(( segid "AAAA" and resid 51 and name HG2 ))
ASSI { 561}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
1.900 1.900 4.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.54962E-02 ppm1 4.158 ppm2 0.818 CV 1
OR { 561}
(( segid "BBBB" and resid 22 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 563}
(( segid "BBBB" and resid 95 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
2.000 2.000 4.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.55042E-02 ppm1 3.994 ppm2 0.871 CV 1
OR { 563}
(( segid "AAAA" and resid 95 and name HA ))
( segid "AAAA" and resid 95 and name HG2%)
ASSI { 564}
(( segid "AAAA" and resid 5 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
2.100 0.500 0.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.60356E-02 ppm1 4.088 ppm2 1.193 CV 1
OR { 564}
(( segid "BBBB" and resid 5 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
OR { 564}
(( segid "BBBB" and resid 86 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 566}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HG1 ))
1.700 0.400 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.52634E-02 ppm1 4.311 ppm2 0.824 CV 1
ASSI { 567}
(( segid "BBBB" and resid 16 and name HA ))
(( segid "BBBB" and resid 19 and name HG1 ))
1.400 0.300 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.49359E-02 ppm1 3.819 ppm2 1.210 CV 1
ASSI { 568}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 37 and name HA ))
2.500 2.500 3.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 4.147 ppm2 4.031 CV 1
OR { 568}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 37 and name HA ))
OR { 568}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 58 and name HA ))
ASSI { 569}
(( segid "BBBB" and resid 90 and name HG2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
1.700 0.400 0.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.81906E-02 ppm1 2.248 ppm2 1.041 CV 1
ASSI { 571}
(( segid "BBBB" and resid 61 and name HG2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
1.900 1.900 4.100 peak 571 spectrum 1 weight 0.10000E+01 volume 0.51500E-02 ppm1 1.440 ppm2 1.251 CV 1
OR { 571}
(( segid "BBBB" and resid 46 and name HG ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 572}
(( segid "BBBB" and resid 14 and name HA ))
(( segid "BBBB" and resid 17 and name HB ))
1.700 1.700 4.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.57237E-02 ppm1 3.901 ppm2 2.252 CV 1
OR { 572}
(( segid "AAAA" and resid 14 and name HA ))
(( segid "AAAA" and resid 17 and name HB ))
OR { 572}
(( segid "BBBB" and resid 31 and name HA2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 572}
(( segid "BBBB" and resid 31 and name HA1 ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 573}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
1.000 1.000 5.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.46096E-02 ppm1 4.217 ppm2 1.257 CV 1
OR { 573}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 573}
(( segid "BBBB" and resid 63 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 579}
(( segid "BBBB" and resid 39 and name HG2 ))
(( segid "BBBB" and resid 41 and name HG ))
1.700 1.700 4.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.63797E-02 ppm1 1.287 ppm2 0.970 CV 1
ASSI { 580}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.000 2.000 4.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.39934E-02 ppm1 3.830 ppm2 0.830 CV 1
ASSI { 582}
(( segid "BBBB" and resid 69 and name HB2 ))
(( segid "BBBB" and resid 82 and name HG2 ))
1.900 1.900 4.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.58832E-02 ppm1 3.994 ppm2 2.334 CV 1
OR { 582}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 82 and name HG2 ))
OR { 582}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 37 and name HG2 ))
OR { 582}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "AAAA" and resid 37 and name HG2 ))
OR { 582}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "BBBB" and resid 37 and name HG2 ))
ASSI { 583}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.000 0.500 0.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 3.983 ppm2 1.263 CV 1
OR { 583}
(( segid "BBBB" and resid 39 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
OR { 583}
(( segid "BBBB" and resid 62 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 584}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 38 and name HD% )
2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.28484E-02 ppm1 7.100 ppm2 7.003 CV 1
OR { 584}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 38 and name HD% )
ASSI { 585}
(( segid "BBBB" and resid 22 and name HA ))
(( segid "BBBB" and resid 22 and name HG1 ))
1.900 1.900 4.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.33963E-02 ppm1 4.100 ppm2 0.853 CV 1
OR { 585}
(( segid "AAAA" and resid 22 and name HA ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 586}
(( segid "AAAA" and resid 8 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
1.700 1.700 4.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.53710E-02 ppm1 4.123 ppm2 1.491 CV 1
OR { 586}
(( segid "BBBB" and resid 8 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 589}
( segid "AAAA" and resid 20 and name HE% )
( segid "AAAA" and resid 20 and name HD% )
1.600 0.300 0.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.29240E-02 ppm1 7.100 ppm2 6.582 CV 1
ASSI { 590}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.400 2.400 3.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 3.315 ppm2 1.216 CV 1
OR { 590}
(( segid "AAAA" and resid 56 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 591}
(( segid "AAAA" and resid 63 and name HA ))
(( segid "AAAA" and resid 63 and name HG ))
2.100 2.100 3.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.33565E-02 ppm1 4.194 ppm2 1.181 CV 1
OR { 591}
(( segid "AAAA" and resid 9 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 593}
(( segid "BBBB" and resid 97 and name HA ))
( segid "BBBB" and resid 95 and name HG2%)
1.000 1.000 5.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.30294E-02 ppm1 4.217 ppm2 0.830 CV 1
ASSI { 597}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 76 and name HE% )
6.000 4.200 2.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.22585E-02 ppm1 7.100 ppm2 6.704 CV 1
OR { 597}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 76 and name HE% )
ASSI { 599}
(( segid "AAAA" and resid 88 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
1.800 1.800 4.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.48090E-02 ppm1 1.498 ppm2 0.982 CV 1
OR { 599}
(( segid "AAAA" and resid 6 and name HG ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 606}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
1.000 1.000 5.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 2.506 ppm2 2.310 CV 1
OR { 606}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 606}
(( segid "BBBB" and resid 40 and name HG2 ))
(( segid "BBBB" and resid 44 and name HB2 ))
OR { 606}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 45 and name HG2 ))
OR { 606}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 606}
(( segid "AAAA" and resid 40 and name HG2 ))
(( segid "AAAA" and resid 45 and name HG2 ))
OR { 606}
(( segid "AAAA" and resid 1 and name HG2 ))
(( segid "BBBB" and resid 58 and name HG2 ))
ASSI { 608}
( segid "BBBB" and resid 7 and name HG2%)
(( segid "AAAA" and resid 41 and name HG ))
2.200 2.200 3.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.27864E-02 ppm1 1.369 ppm2 0.988 CV 1
OR { 608}
( segid "AAAA" and resid 7 and name HG2%)
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 609}
(( segid "AAAA" and resid 78 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
2.100 2.100 3.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.22073E-02 ppm1 4.006 ppm2 0.754 CV 1
ASSI { 610}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
1.900 0.500 0.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.37739E-02 ppm1 4.100 ppm2 2.328 CV 1
OR { 610}
(( segid "AAAA" and resid 37 and name HA ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 611}
(( segid "AAAA" and resid 78 and name HD2 ))
(( segid "AAAA" and resid 68 and name HB2 ))
2.600 0.800 0.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.68337E-03 ppm1 3.209 ppm2 3.100 CV 1
OR { 611}
(( segid "BBBB" and resid 78 and name HD2 ))
(( segid "BBBB" and resid 68 and name HB2 ))
ASSI { 612}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
1.800 1.800 4.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.17820E-02 ppm1 2.002 ppm2 0.982 CV 1
OR { 612}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
OR { 612}
(( segid "BBBB" and resid 58 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
OR { 612}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 614}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 86 and name HN ))
2.200 2.200 3.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.19693E-02 ppm1 7.604 ppm2 7.278 CV 1
OR { 614}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 614}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 614}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 77 and name HD1 ))
ASSI { 615}
(( segid "BBBB" and resid 15 and name HA ))
(( segid "BBBB" and resid 16 and name HA ))
1.800 1.800 4.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 4.100 ppm2 3.808 CV 1
OR { 615}
(( segid "AAAA" and resid 17 and name HA ))
(( segid "AAAA" and resid 16 and name HA ))
OR { 615}
(( segid "AAAA" and resid 93 and name HA ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 615}
(( segid "BBBB" and resid 76 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
OR { 615}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
OR { 615}
(( segid "AAAA" and resid 93 and name HA ))
(( segid "AAAA" and resid 94 and name HA1 ))
ASSI { 620}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
2.200 2.200 3.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.28103E-02 ppm1 8.213 ppm2 1.134 CV 1
OR { 620}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 622}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.300 2.300 3.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.20544E-02 ppm1 1.873 ppm2 1.304 CV 1
OR { 622}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 624}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 38 and name HA ))
2.200 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.25173E-02 ppm1 7.100 ppm2 4.171 CV 1
OR { 624}
( segid "AAAA" and resid 23 and name HE% )
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 625}
(( segid "BBBB" and resid 69 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB2 ))
1.400 0.300 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.18777E-02 ppm1 3.971 ppm2 3.252 CV 1
OR { 625}
(( segid "AAAA" and resid 69 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB2 ))
OR { 625}
(( segid "BBBB" and resid 23 and name HA ))
(( segid "BBBB" and resid 26 and name HD2 ))
OR { 625}
(( segid "AAAA" and resid 79 and name HA ))
(( segid "AAAA" and resid 80 and name HA ))
OR { 625}
(( segid "AAAA" and resid 62 and name HB ))
(( segid "AAAA" and resid 66 and name HB2 ))
ASSI { 627}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
2.000 2.000 4.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.26860E-02 ppm1 2.072 ppm2 1.006 CV 1
ASSI { 628}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "BBBB" and resid 94 and name HA1 ))
2.500 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 4.030 ppm2 3.779 CV 1
ASSI { 630}
(( segid "AAAA" and resid 37 and name HB2 ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.300 2.300 3.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.21305E-02 ppm1 2.096 ppm2 0.842 CV 1
OR { 630}
(( segid "BBBB" and resid 37 and name HB2 ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 631}
(( segid "AAAA" and resid 85 and name HA ))
( segid "AAAA" and resid 84 and name HB%)
2.100 2.100 3.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 3.549 ppm2 0.994 CV 1
ASSI { 632}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 78 and name HG2 ))
2.000 2.000 4.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 4.311 ppm2 1.550 CV 1
OR { 632}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 33 and name HG ))
ASSI { 634}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 40 and name HG2 ))
2.000 2.000 4.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 2.776 ppm2 2.492 CV 1
ASSI { 636}
(( segid "AAAA" and resid 41 and name HB2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
5.100 3.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 1.627 ppm2 1.310 CV 1
OR { 636}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 637}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "AAAA" and resid 92 and name HA ))
1.900 0.400 0.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.18035E-02 ppm1 7.604 ppm2 3.861 CV 1
OR { 637}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 92 and name HA ))
ASSI { 638}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "AAAA" and resid 11 and name HA ))
2.200 2.200 3.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 4.358 ppm2 4.159 CV 1
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 638}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 9 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
OR { 638}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 638}
(( segid "BBBB" and resid 12 and name HA ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 638}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 638}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "AAAA" and resid 9 and name HA ))
OR { 638}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 641}
( segid "AAAA" and resid 23 and name HD% )
( segid "AAAA" and resid 21 and name HD% )
2.400 2.400 3.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 6.842 ppm2 6.716 CV 1
OR { 641}
( segid "BBBB" and resid 23 and name HD% )
( segid "BBBB" and resid 21 and name HD% )
ASSI { 643}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
2.800 1.000 1.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.52847E-03 ppm1 4.299 ppm2 4.165 CV 1
OR { 643}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 643}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "BBBB" and resid 17 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "AAAA" and resid 17 and name HA ))
OR { 643}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 57 and name HA ))
(( segid "AAAA" and resid 59 and name HA ))
OR { 643}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 38 and name HA ))
OR { 643}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 38 and name HA ))
OR { 643}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 62 and name HA ))
OR { 643}
(( segid "AAAA" and resid 19 and name HA ))
(( segid "AAAA" and resid 15 and name HA ))
OR { 643}
(( segid "BBBB" and resid 19 and name HA ))
(( segid "BBBB" and resid 15 and name HA ))
ASSI { 644}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 62 and name HB ))
2.100 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 7.545 ppm2 3.978 CV 1
OR { 644}
(( segid "AAAA" and resid 93 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 645}
(( segid "AAAA" and resid 46 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
1.400 1.400 4.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 7.287 ppm2 1.374 CV 1
OR { 645}
(( segid "BBBB" and resid 46 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
OR { 645}
(( segid "BBBB" and resid 86 and name HN ))
( segid "AAAA" and resid 7 and name HG2%)
OR { 645}
(( segid "AAAA" and resid 21 and name HN ))
( segid "BBBB" and resid 7 and name HG2%)
ASSI { 648}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.100 2.100 3.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.17784E-02 ppm1 1.604 ppm2 1.222 CV 1
OR { 648}
(( segid "BBBB" and resid 41 and name HB2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 652}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
2.300 2.300 3.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14168E-02 ppm1 7.534 ppm2 7.249 CV 1
OR { 652}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "AAAA" and resid 78 and name HN ))
OR { 652}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 77 and name HH2 ))
OR { 652}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 77 and name HH2 ))
OR { 652}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 77 and name HD1 ))
OR { 652}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 77 and name HD1 ))
OR { 652}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "AAAA" and resid 77 and name HH2 ))
OR { 652}
(( segid "AAAA" and resid 95 and name HN ))
(( segid "BBBB" and resid 77 and name HH2 ))
ASSI { 653}
(( segid "AAAA" and resid 39 and name HD2 ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.100 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 1.697 ppm2 1.310 CV 1
ASSI { 654}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.200 2.200 3.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 1.779 ppm2 1.234 CV 1
OR { 654}
(( segid "BBBB" and resid 4 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 654}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 654}
(( segid "AAAA" and resid 51 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 654}
(( segid "BBBB" and resid 51 and name HB2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 655}
(( segid "BBBB" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
2.200 2.200 3.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.17136E-02 ppm1 1.791 ppm2 1.286 CV 1
OR { 655}
(( segid "BBBB" and resid 95 and name HB ))
(( segid "BBBB" and resid 97 and name HG2 ))
ASSI { 656}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 43 and name HG1 ))
2.700 2.700 3.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.97778E-03 ppm1 4.299 ppm2 1.111 CV 1
OR { 656}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 657}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 80 and name HB ))
2.100 2.100 3.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16008E-02 ppm1 6.854 ppm2 1.439 CV 1
OR { 657}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 657}
( segid "AAAA" and resid 76 and name HD% )
(( segid "BBBB" and resid 93 and name HG ))
ASSI { 658}
(( segid "BBBB" and resid 77 and name HH2 ))
(( segid "BBBB" and resid 75 and name HB2 ))
2.400 2.400 3.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.18996E-02 ppm1 7.241 ppm2 2.328 CV 1
OR { 658}
(( segid "AAAA" and resid 77 and name HH2 ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 658}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
OR { 658}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
ASSI { 659}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 31 and name HA1 ))
2.700 0.900 0.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.35123E-03 ppm1 4.053 ppm2 3.884 CV 1
OR { 659}
(( segid "BBBB" and resid 18 and name HA ))
(( segid "BBBB" and resid 18 and name HB1 ))
ASSI { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
1.700 0.400 0.500 peak 661 spectrum 1 weight 0.10000E+01 volume 0.19310E-02 ppm1 3.948 ppm2 1.485 CV 1
OR { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 661}
(( segid "BBBB" and resid 51 and name HA ))
(( segid "BBBB" and resid 50 and name HG ))
OR { 661}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 661}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 664}
(( segid "AAAA" and resid 11 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
2.300 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 4.123 ppm2 2.439 CV 1
OR { 664}
(( segid "AAAA" and resid 38 and name HA ))
(( segid "AAAA" and resid 40 and name HG2 ))
OR { 664}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 40 and name HG2 ))
OR { 664}
(( segid "AAAA" and resid 15 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
ASSI { 666}
(( segid "AAAA" and resid 7 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
5.600 3.900 0.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 4.487 ppm2 1.140 CV 1
ASSI { 669}
(( segid "BBBB" and resid 59 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.500 2.500 3.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 4.112 ppm2 2.533 CV 1
OR { 669}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 669}
(( segid "AAAA" and resid 59 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 676}
(( segid "AAAA" and resid 5 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
2.400 2.400 3.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.22862E-02 ppm1 7.932 ppm2 1.169 CV 1
OR { 676}
(( segid "BBBB" and resid 5 and name HN ))
( segid "BBBB" and resid 5 and name HG2%)
OR { 676}
(( segid "BBBB" and resid 87 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 678}
(( segid "BBBB" and resid 75 and name HN ))
( segid "BBBB" and resid 76 and name HD% )
2.100 2.100 3.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11341E-02 ppm1 7.077 ppm2 6.857 CV 1
OR { 678}
(( segid "AAAA" and resid 75 and name HN ))
( segid "AAAA" and resid 76 and name HD% )
OR { 678}
( segid "AAAA" and resid 21 and name HE% )
( segid "AAAA" and resid 23 and name HD% )
ASSI { 680}
( segid "AAAA" and resid 38 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.16322E-02 ppm1 7.018 ppm2 4.194 CV 1
OR { 680}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 682}
(( segid "BBBB" and resid 82 and name HA ))
(( segid "BBBB" and resid 82 and name HB2 ))
2.200 0.600 0.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.16890E-02 ppm1 3.842 ppm2 2.106 CV 1
ASSI { 686}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 60 and name HG2 ))
2.200 2.200 3.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 4.264 ppm2 2.205 CV 1
OR { 686}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 40 and name HB2 ))
ASSI { 688}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.600 0.800 0.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.46482E-03 ppm1 4.299 ppm2 4.036 CV 1
OR { 688}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 688}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 90 and name HA ))
ASSI { 689}
(( segid "BBBB" and resid 38 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 4.182 ppm2 0.994 CV 1
ASSI { 690}
(( segid "BBBB" and resid 61 and name HD2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
2.600 2.600 3.400 peak 690 spectrum 1 weight 0.10000E+01 volume 0.98782E-03 ppm1 1.674 ppm2 1.216 CV 1
OR { 690}
(( segid "AAAA" and resid 61 and name HD2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
ASSI { 692}
(( segid "AAAA" and resid 67 and name HA ))
(( segid "AAAA" and resid 67 and name HB2 ))
2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.19151E-02 ppm1 4.006 ppm2 2.152 CV 1
ASSI { 693}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
2.000 2.000 4.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 7.545 ppm2 2.328 CV 1
OR { 693}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
OR { 693}
(( segid "AAAA" and resid 70 and name HN ))
(( segid "AAAA" and resid 37 and name HG2 ))
ASSI { 694}
( segid "AAAA" and resid 21 and name HE% )
(( segid "AAAA" and resid 22 and name HG1 ))
2.200 2.200 3.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.17381E-02 ppm1 7.100 ppm2 0.877 CV 1
OR { 694}
(( segid "BBBB" and resid 75 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
OR { 694}
(( segid "AAAA" and resid 75 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
OR { 694}
( segid "AAAA" and resid 73 and name HE% )
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 698}
(( segid "BBBB" and resid 77 and name HZ3 ))
(( segid "BBBB" and resid 76 and name HB2 ))
2.400 2.400 3.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 6.573 ppm2 2.819 CV 1
OR { 698}
( segid "AAAA" and resid 73 and name HD% )
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 700}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 40 and name HG2 ))
1.300 1.300 4.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.17814E-02 ppm1 4.299 ppm2 2.509 CV 1
OR { 700}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 40 and name HG2 ))
OR { 700}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
OR { 700}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 701}
(( segid "AAAA" and resid 74 and name HA ))
(( segid "AAAA" and resid 74 and name HB2 ))
2.300 2.300 3.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.68757E-03 ppm1 4.030 ppm2 3.697 CV 1
OR { 701}
(( segid "BBBB" and resid 74 and name HA ))
(( segid "BBBB" and resid 74 and name HB2 ))
ASSI { 704}
(( segid "AAAA" and resid 85 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
2.900 2.900 3.100 peak 704 spectrum 1 weight 0.10000E+01 volume 0.54836E-03 ppm1 3.537 ppm2 1.199 CV 1
OR { 704}
(( segid "BBBB" and resid 85 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 706}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
2.300 0.700 0.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 7.241 ppm2 3.990 CV 1
OR { 706}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 78 and name HA ))
ASSI { 707}
(( segid "BBBB" and resid 73 and name HB2 ))
(( segid "AAAA" and resid 97 and name HG2 ))
2.200 2.200 3.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 3.010 ppm2 1.333 CV 1
ASSI { 710}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 21 and name HA ))
2.300 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13890E-02 ppm1 7.276 ppm2 3.867 CV 1
ASSI { 714}
(( segid "AAAA" and resid 2 and name HA ))
(( segid "BBBB" and resid 46 and name HG ))
2.300 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 4.346 ppm2 1.474 CV 1
OR { 714}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "BBBB" and resid 6 and name HG ))
OR { 714}
(( segid "BBBB" and resid 2 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
ASSI { 716}
(( segid "AAAA" and resid 61 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
2.700 2.700 3.300 peak 716 spectrum 1 weight 0.10000E+01 volume 0.82218E-03 ppm1 7.135 ppm2 1.146 CV 1
OR { 716}
(( segid "BBBB" and resid 61 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
ASSI { 719}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 19 and name HG1 ))
2.100 2.100 3.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 8.635 ppm2 1.257 CV 1
ASSI { 720}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HG2 ))
2.300 2.300 3.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.79058E-03 ppm1 1.873 ppm2 1.585 CV 1
OR { 720}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HG2 ))
ASSI { 722}
(( segid "BBBB" and resid 1 and name HG2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
1.800 0.400 0.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 2.506 ppm2 1.099 CV 1
ASSI { 724}
(( segid "BBBB" and resid 42 and name HN ))
(( segid "BBBB" and resid 59 and name HG2 ))
2.500 2.500 3.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.78194E-03 ppm1 8.518 ppm2 1.193 CV 1
ASSI { 726}
(( segid "AAAA" and resid 70 and name HA ))
(( segid "AAAA" and resid 71 and name HG ))
2.400 2.400 3.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.89786E-03 ppm1 4.920 ppm2 1.433 CV 1
OR { 726}
(( segid "AAAA" and resid 7 and name HB ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 728}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
1.800 1.800 4.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.99017E-03 ppm1 8.237 ppm2 1.281 CV 1
OR { 728}
(( segid "AAAA" and resid 60 and name HN ))
(( segid "AAAA" and resid 39 and name HG2 ))
OR { 728}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 729}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 79 and name HG ))
2.100 2.100 3.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.23860E-02 ppm1 2.823 ppm2 1.491 CV 1
OR { 729}
(( segid "BBBB" and resid 76 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
ASSI { 730}
(( segid "BBBB" and resid 76 and name HA ))
(( segid "BBBB" and resid 76 and name HB2 ))
0.800 0.800 5.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 3.807 ppm2 2.855 CV 1
OR { 730}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 732}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 43 and name HB ))
2.800 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.42470E-03 ppm1 4.369 ppm2 4.036 CV 1
OR { 732}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "AAAA" and resid 74 and name HA ))
ASSI { 735}
(( segid "AAAA" and resid 77 and name HE3 ))
(( segid "AAAA" and resid 75 and name HA ))
2.800 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.81911E-03 ppm1 7.604 ppm2 4.376 CV 1
OR { 735}
(( segid "BBBB" and resid 77 and name HE3 ))
(( segid "BBBB" and resid 75 and name HA ))
ASSI { 738}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "BBBB" and resid 10 and name HA ))
2.600 2.600 3.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.64137E-03 ppm1 4.299 ppm2 3.697 CV 1
OR { 738}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 54 and name HA2 ))
OR { 738}
(( segid "BBBB" and resid 87 and name HA ))
(( segid "AAAA" and resid 10 and name HA ))
OR { 738}
(( segid "AAAA" and resid 69 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
ASSI { 740}
(( segid "AAAA" and resid 70 and name HG2 ))
(( segid "AAAA" and resid 33 and name HB2 ))
3.000 1.100 1.100 peak 740 spectrum 1 weight 0.10000E+01 volume 0.22381E-03 ppm1 2.096 ppm2 1.977 CV 1
ASSI { 741}
(( segid "BBBB" and resid 38 and name HN ))
(( segid "BBBB" and resid 63 and name HG ))
2.600 2.600 3.400 peak 741 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 9.256 ppm2 1.152 CV 1
OR { 741}
(( segid "AAAA" and resid 38 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
ASSI { 746}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
2.200 2.200 3.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.71101E-03 ppm1 4.487 ppm2 1.433 CV 1
ASSI { 749}
(( segid "AAAA" and resid 24 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
5.200 3.800 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.32853E-03 ppm1 3.666 ppm2 3.416 CV 1
OR { 749}
(( segid "BBBB" and resid 24 and name HA ))
(( segid "BBBB" and resid 32 and name HB2 ))
ASSI { 750}
(( segid "AAAA" and resid 44 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
2.700 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.89376E-03 ppm1 8.471 ppm2 1.140 CV 1
OR { 750}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
OR { 750}
(( segid "BBBB" and resid 44 and name HN ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 752}
(( segid "AAAA" and resid 76 and name HA ))
(( segid "AAAA" and resid 71 and name HB2 ))
1.300 1.300 4.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 4.088 ppm2 2.135 CV 1
OR { 752}
(( segid "AAAA" and resid 5 and name HA ))
(( segid "BBBB" and resid 86 and name HB2 ))
ASSI { 754}
(( segid "AAAA" and resid 73 and name HB2 ))
(( segid "AAAA" and resid 72 and name HG2 ))
2.400 2.400 3.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.89160E-03 ppm1 3.022 ppm2 1.714 CV 1
OR { 754}
(( segid "BBBB" and resid 73 and name HB2 ))
(( segid "BBBB" and resid 72 and name HG2 ))
ASSI { 755}
(( segid "AAAA" and resid 25 and name HA1 ))
(( segid "AAAA" and resid 25 and name HA2 ))
2.900 2.900 3.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.31366E-03 ppm1 4.158 ppm2 3.890 CV 1
ASSI { 760}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
2.300 0.600 0.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 7.534 ppm2 1.474 CV 1
ASSI { 761}
(( segid "BBBB" and resid 51 and name HA ))
(( segid "BBBB" and resid 51 and name HG2 ))
2.500 0.800 0.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.66257E-03 ppm1 3.948 ppm2 1.368 CV 1
ASSI { 764}
(( segid "BBBB" and resid 20 and name HA ))
(( segid "BBBB" and resid 19 and name HG1 ))
2.500 0.800 0.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.90045E-03 ppm1 3.444 ppm2 1.257 CV 1
OR { 764}
(( segid "AAAA" and resid 42 and name HA ))
(( segid "AAAA" and resid 59 and name HG2 ))
ASSI { 766}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
2.800 2.800 3.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.43628E-03 ppm1 3.901 ppm2 3.551 CV 1
OR { 766}
(( segid "AAAA" and resid 83 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 766}
(( segid "BBBB" and resid 83 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
ASSI { 767}
( segid "BBBB" and resid 76 and name HE% )
( segid "AAAA" and resid 95 and name HG2%)
1.700 1.700 4.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 6.702 ppm2 0.871 CV 1
ASSI { 769}
(( segid "BBBB" and resid 1 and name HB2 ))
(( segid "AAAA" and resid 43 and name HG1 ))
3.000 1.200 1.200 peak 769 spectrum 1 weight 0.10000E+01 volume 0.44326E-03 ppm1 2.002 ppm2 1.099 CV 1
OR { 769}
(( segid "AAAA" and resid 1 and name HB2 ))
(( segid "BBBB" and resid 43 and name HG1 ))
ASSI { 771}
(( segid "BBBB" and resid 43 and name HA ))
(( segid "BBBB" and resid 44 and name HB2 ))
2.500 2.500 3.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.81594E-03 ppm1 3.819 ppm2 2.345 CV 1
OR { 771}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 44 and name HB2 ))
OR { 771}
(( segid "AAAA" and resid 82 and name HA ))
(( segid "AAAA" and resid 86 and name HG2 ))
OR { 771}
(( segid "BBBB" and resid 82 and name HA ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 776}
(( segid "AAAA" and resid 86 and name HG2 ))
(( segid "BBBB" and resid 9 and name HG ))
1.700 1.700 4.300 peak 776 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 2.307 ppm2 1.474 CV 1
OR { 776}
(( segid "BBBB" and resid 86 and name HG2 ))
(( segid "AAAA" and resid 9 and name HG ))
ASSI { 778}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 79 and name HG ))
1.500 1.500 4.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.95489E-03 ppm1 7.241 ppm2 1.474 CV 1
OR { 778}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 778}
(( segid "BBBB" and resid 77 and name HH2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 778}
(( segid "AAAA" and resid 77 and name HH2 ))
(( segid "AAAA" and resid 71 and name HG ))
OR { 778}
(( segid "BBBB" and resid 77 and name HH2 ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 778}
(( segid "AAAA" and resid 77 and name HH2 ))
(( segid "AAAA" and resid 79 and name HG ))
OR { 778}
(( segid "AAAA" and resid 78 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 778}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 83 and name HG ))
ASSI { 781}
(( segid "BBBB" and resid 94 and name HA2 ))
(( segid "BBBB" and resid 93 and name HG ))
2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 3.819 ppm2 1.439 CV 1
OR { 781}
(( segid "AAAA" and resid 43 and name HA ))
(( segid "AAAA" and resid 46 and name HG ))
OR { 781}
(( segid "BBBB" and resid 81 and name HA2 ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 781}
(( segid "AAAA" and resid 81 and name HA2 ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 781}
(( segid "BBBB" and resid 81 and name HA1 ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 781}
(( segid "AAAA" and resid 81 and name HA1 ))
(( segid "AAAA" and resid 80 and name HB ))
ASSI { 783}
(( segid "BBBB" and resid 80 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.97117E-03 ppm1 3.256 ppm2 0.736 CV 1
OR { 783}
(( segid "AAAA" and resid 80 and name HA ))
( segid "AAAA" and resid 80 and name HG2%)
ASSI { 785}
(( segid "AAAA" and resid 8 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
2.400 2.400 3.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.12866E-02 ppm1 2.061 ppm2 1.497 CV 1
OR { 785}
(( segid "BBBB" and resid 8 and name HB2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 785}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 785}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 785}
(( segid "BBBB" and resid 70 and name HG2 ))
(( segid "BBBB" and resid 71 and name HG ))
OR { 785}
(( segid "AAAA" and resid 90 and name HB2 ))
(( segid "BBBB" and resid 79 and name HG ))
OR { 785}
(( segid "BBBB" and resid 90 and name HB2 ))
(( segid "AAAA" and resid 79 and name HG ))
ASSI { 790}
(( segid "BBBB" and resid 36 and name HA ))
(( segid "BBBB" and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.68683E-03 ppm1 4.440 ppm2 2.890 CV 1
ASSI { 793}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 85 and name HA ))
2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.89426E-03 ppm1 7.276 ppm2 3.562 CV 1
OR { 793}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 794}
(( segid "BBBB" and resid 93 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
2.800 2.800 3.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.68590E-03 ppm1 1.721 ppm2 0.988 CV 1
OR { 794}
(( segid "AAAA" and resid 93 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
OR { 794}
(( segid "AAAA" and resid 85 and name HB2 ))
(( segid "AAAA" and resid 89 and name HG2 ))
OR { 794}
(( segid "BBBB" and resid 85 and name HB2 ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 795}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.600 2.600 3.400 peak 795 spectrum 1 weight 0.10000E+01 volume 0.86295E-03 ppm1 2.307 ppm2 1.216 CV 1
OR { 795}
(( segid "BBBB" and resid 58 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 795}
(( segid "AAAA" and resid 58 and name HG2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 795}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 795}
(( segid "AAAA" and resid 45 and name HG2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
ASSI { 802}
(( segid "AAAA" and resid 40 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.50454E-03 ppm1 3.971 ppm2 2.515 CV 1
OR { 802}
(( segid "AAAA" and resid 39 and name HA ))
(( segid "BBBB" and resid 1 and name HG2 ))
ASSI { 809}
(( segid "BBBB" and resid 22 and name HB ))
(( segid "BBBB" and resid 22 and name HA ))
3.100 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.35804E-03 ppm1 4.311 ppm2 3.820 CV 1
OR { 809}
(( segid "AAAA" and resid 22 and name HB ))
(( segid "AAAA" and resid 22 and name HA ))
ASSI { 810}
(( segid "AAAA" and resid 97 and name HE2 ))
(( segid "AAAA" and resid 97 and name HD2 ))
2.500 0.800 0.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.61417E-03 ppm1 3.162 ppm2 1.602 CV 1
OR { 810}
(( segid "BBBB" and resid 97 and name HE2 ))
(( segid "BBBB" and resid 97 and name HD2 ))
ASSI { 813}
(( segid "BBBB" and resid 70 and name HN ))
(( segid "BBBB" and resid 69 and name HA ))
2.500 0.800 0.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.71146E-03 ppm1 7.545 ppm2 4.311 CV 1
OR { 813}
(( segid "AAAA" and resid 88 and name HN ))
(( segid "AAAA" and resid 87 and name HA ))
ASSI { 814}
(( segid "BBBB" and resid 71 and name HB2 ))
(( segid "BBBB" and resid 71 and name HG ))
2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.94315E-03 ppm1 2.119 ppm2 1.450 CV 1
ASSI { 818}
(( segid "BBBB" and resid 61 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 4.053 ppm2 1.427 CV 1
OR { 818}
(( segid "AAAA" and resid 61 and name HA ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 818}
(( segid "AAAA" and resid 93 and name HA ))
(( segid "AAAA" and resid 93 and name HG ))
ASSI { 819}
( segid "BBBB" and resid 76 and name HD% )
(( segid "BBBB" and resid 74 and name HA ))
2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.74706E-03 ppm1 6.912 ppm2 3.995 CV 1
OR { 819}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 74 and name HA ))
OR { 819}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 78 and name HA ))
ASSI { 820}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
2.600 2.600 3.400 peak 820 spectrum 1 weight 0.10000E+01 volume 0.82041E-03 ppm1 7.534 ppm2 3.252 CV 1
OR { 820}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 66 and name HB2 ))
OR { 820}
(( segid "BBBB" and resid 64 and name HN ))
(( segid "BBBB" and resid 66 and name HB2 ))
ASSI { 821}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "AAAA" and resid 8 and name HA ))
2.700 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.44450E-03 ppm1 4.498 ppm2 4.159 CV 1
OR { 821}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "BBBB" and resid 8 and name HA ))
OR { 821}
(( segid "BBBB" and resid 50 and name HA ))
(( segid "BBBB" and resid 47 and name HA ))
ASSI { 822}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 88 and name HG2 ))
2.400 0.700 0.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.90693E-03 ppm1 3.994 ppm2 1.585 CV 1
ASSI { 825}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 41 and name HG ))
2.400 2.400 3.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.94567E-03 ppm1 7.018 ppm2 1.000 CV 1
ASSI { 828}
(( segid "BBBB" and resid 77 and name HN ))
(( segid "BBBB" and resid 79 and name HG ))
2.200 2.200 3.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.95262E-03 ppm1 9.268 ppm2 1.497 CV 1
OR { 828}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 828}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
ASSI { 829}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
2.500 2.500 3.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 6.877 ppm2 4.142 CV 1
OR { 829}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 830}
(( segid "BBBB" and resid 17 and name HN ))
(( segid "BBBB" and resid 17 and name HB ))
2.400 0.700 0.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.97969E-03 ppm1 8.237 ppm2 2.264 CV 1
ASSI { 836}
( segid "BBBB" and resid 76 and name HE% )
(( segid "BBBB" and resid 76 and name HA ))
6.000 4.100 2.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.93038E-03 ppm1 6.702 ppm2 4.159 CV 1
OR { 836}
( segid "AAAA" and resid 76 and name HE% )
(( segid "AAAA" and resid 76 and name HA ))
ASSI { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "AAAA" and resid 80 and name HB ))
2.900 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.45704E-03 ppm1 1.932 ppm2 1.439 CV 1
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 837}
(( segid "AAAA" and resid 78 and name HB2 ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 837}
(( segid "BBBB" and resid 78 and name HB2 ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 837}
(( segid "BBBB" and resid 87 and name HB ))
(( segid "BBBB" and resid 88 and name HB2 ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 837}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 837}
(( segid "AAAA" and resid 87 and name HB ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 837}
(( segid "BBBB" and resid 13 and name HB ))
(( segid "BBBB" and resid 83 and name HG ))
OR { 837}
(( segid "AAAA" and resid 13 and name HB ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 842}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
2.400 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 9.280 ppm2 4.124 CV 1
OR { 842}
(( segid "BBBB" and resid 11 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
OR { 842}
(( segid "AAAA" and resid 11 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
ASSI { 843}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
2.400 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 7.944 ppm2 4.118 CV 1
OR { 843}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 845}
(( segid "BBBB" and resid 57 and name HN ))
(( segid "BBBB" and resid 59 and name HA ))
1.300 1.300 4.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.87142E-03 ppm1 8.237 ppm2 4.171 CV 1
OR { 845}
(( segid "AAAA" and resid 57 and name HN ))
(( segid "AAAA" and resid 59 and name HA ))
ASSI { 846}
(( segid "BBBB" and resid 21 and name HB2 ))
( segid "BBBB" and resid 22 and name HG2%)
1.100 0.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.91429E-03 ppm1 3.315 ppm2 1.433 CV 1
OR { 846}
(( segid "AAAA" and resid 21 and name HB2 ))
( segid "AAAA" and resid 22 and name HG2%)
ASSI { 848}
(( segid "AAAA" and resid 42 and name HN ))
(( segid "AAAA" and resid 46 and name HG ))
2.500 2.500 3.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.78132E-03 ppm1 8.495 ppm2 1.433 CV 1
ASSI { 851}
(( segid "BBBB" and resid 20 and name HN ))
( segid "BBBB" and resid 20 and name HD% )
5.600 4.300 2.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.50976E-03 ppm1 6.971 ppm2 6.582 CV 1
OR { 851}
(( segid "AAAA" and resid 20 and name HN ))
( segid "AAAA" and resid 20 and name HD% )
ASSI { 858}
(( segid "BBBB" and resid 87 and name HN ))
(( segid "BBBB" and resid 88 and name HB2 ))
2.800 2.800 3.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.73682E-03 ppm1 7.944 ppm2 1.491 CV 1
OR { 858}
(( segid "AAAA" and resid 87 and name HN ))
(( segid "AAAA" and resid 88 and name HB2 ))
OR { 858}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 858}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 858}
(( segid "AAAA" and resid 12 and name HN ))
(( segid "AAAA" and resid 6 and name HG ))
OR { 858}
(( segid "BBBB" and resid 12 and name HN ))
(( segid "BBBB" and resid 6 and name HG ))
ASSI { 859}
(( segid "AAAA" and resid 12 and name HA ))
(( segid "AAAA" and resid 14 and name HG2 ))
2.600 2.600 3.400 peak 859 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 4.393 ppm2 2.486 CV 1
OR { 859}
(( segid "BBBB" and resid 15 and name HB ))
(( segid "BBBB" and resid 14 and name HG2 ))
OR { 859}
(( segid "AAAA" and resid 15 and name HB ))
(( segid "AAAA" and resid 14 and name HG2 ))
ASSI { 863}
(( segid "AAAA" and resid 95 and name HN ))
( segid "AAAA" and resid 95 and name HG2%)
2.800 1.000 1.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.71314E-03 ppm1 7.534 ppm2 0.830 CV 1
OR { 863}
(( segid "BBBB" and resid 95 and name HN ))
( segid "BBBB" and resid 95 and name HG2%)
ASSI { 869}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 22 and name HG1 ))
2.800 2.800 3.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.74485E-03 ppm1 6.854 ppm2 1.263 CV 1
OR { 869}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 870}
(( segid "BBBB" and resid 20 and name HB2 ))
(( segid "AAAA" and resid 9 and name HG ))
2.600 2.600 3.400 peak 870 spectrum 1 weight 0.10000E+01 volume 0.85054E-03 ppm1 3.057 ppm2 1.439 CV 1
OR { 870}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 61 and name HG2 ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 870}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 870}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 61 and name HG2 ))
OR { 870}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 61 and name HG2 ))
OR { 870}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 870}
(( segid "BBBB" and resid 85 and name HE2 ))
(( segid "BBBB" and resid 80 and name HB ))
ASSI { 871}
(( segid "AAAA" and resid 24 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.700 2.700 3.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.94796E-03 ppm1 8.495 ppm2 0.871 CV 1
ASSI { 874}
(( segid "BBBB" and resid 75 and name HA ))
(( segid "BBBB" and resid 31 and name HA1 ))
5.400 3.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.40786E-03 ppm1 4.405 ppm2 3.890 CV 1
OR { 874}
(( segid "AAAA" and resid 75 and name HA ))
(( segid "AAAA" and resid 31 and name HA1 ))
ASSI { 878}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "AAAA" and resid 14 and name HA ))
2.800 1.000 1.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.73149E-03 ppm1 8.401 ppm2 3.890 CV 1
OR { 878}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 14 and name HA ))
ASSI { 881}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
3.200 3.200 2.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.23486E-03 ppm1 3.069 ppm2 2.884 CV 1
OR { 881}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
OR { 881}
(( segid "AAAA" and resid 96 and name HD2 ))
(( segid "BBBB" and resid 76 and name HB2 ))
ASSI { 882}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 36 and name HB2 ))
3.800 1.800 1.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.11584E-03 ppm1 3.104 ppm2 2.890 CV 1
OR { 882}
(( segid "AAAA" and resid 38 and name HB2 ))
(( segid "AAAA" and resid 36 and name HB2 ))
ASSI { 883}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 63 and name HA ))
2.700 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.88238E-03 ppm1 7.534 ppm2 4.153 CV 1
OR { 883}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 63 and name HA ))
OR { 883}
(( segid "AAAA" and resid 63 and name HN ))
(( segid "AAAA" and resid 62 and name HA ))
OR { 883}
(( segid "BBBB" and resid 63 and name HN ))
(( segid "BBBB" and resid 62 and name HA ))
ASSI { 887}
(( segid "AAAA" and resid 86 and name HN ))
(( segid "AAAA" and resid 86 and name HG2 ))
2.800 1.000 1.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.78573E-03 ppm1 7.299 ppm2 2.340 CV 1
OR { 887}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 86 and name HG2 ))
ASSI { 896}
(( segid "BBBB" and resid 77 and name HZ3 ))
(( segid "BBBB" and resid 76 and name HB2 ))
6.100 4.100 2.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.61620E-03 ppm1 6.573 ppm2 3.024 CV 1
OR { 896}
(( segid "AAAA" and resid 77 and name HZ3 ))
(( segid "AAAA" and resid 76 and name HB2 ))
ASSI { 899}
( segid "AAAA" and resid 23 and name HD% )
(( segid "AAAA" and resid 38 and name HA ))
2.700 2.700 3.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.70906E-03 ppm1 6.573 ppm2 4.124 CV 1
OR { 899}
( segid "BBBB" and resid 23 and name HD% )
(( segid "BBBB" and resid 38 and name HA ))
ASSI { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 9 and name HA ))
2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.80645E-03 ppm1 8.635 ppm2 4.159 CV 1
OR { 901}
(( segid "AAAA" and resid 9 and name HN ))
(( segid "AAAA" and resid 8 and name HA ))
OR { 901}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 8 and name HA ))
ASSI { 906}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
2.500 2.500 3.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.51830E-03 ppm1 4.498 ppm2 0.982 CV 1
OR { 906}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 906}
(( segid "BBBB" and resid 7 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
OR { 906}
(( segid "AAAA" and resid 7 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 907}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 11 and name HA ))
2.600 0.900 0.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.81837E-03 ppm1 8.401 ppm2 4.130 CV 1
OR { 907}
(( segid "AAAA" and resid 14 and name HN ))
(( segid "AAAA" and resid 11 and name HA ))
OR { 907}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 38 and name HA ))
ASSI { 910}
(( segid "AAAA" and resid 7 and name HB ))
(( segid "AAAA" and resid 7 and name HA ))
2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.43921E-03 ppm1 4.920 ppm2 4.487 CV 1
ASSI { 911}
(( segid "AAAA" and resid 6 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
4.400 2.400 1.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.20466E-03 ppm1 4.381 ppm2 1.181 CV 1
ASSI { 912}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 59 and name HG2 ))
1.800 1.800 4.200 peak 912 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 4.358 ppm2 1.210 CV 1
ASSI { 913}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 16 and name HA ))
2.500 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.77497E-03 ppm1 8.635 ppm2 3.826 CV 1
OR { 913}
(( segid "BBBB" and resid 84 and name HN ))
(( segid "BBBB" and resid 81 and name HA2 ))
OR { 913}
(( segid "AAAA" and resid 84 and name HN ))
(( segid "AAAA" and resid 81 and name HA2 ))
ASSI { 914}
(( segid "BBBB" and resid 65 and name HB ))
(( segid "BBBB" and resid 62 and name HG1 ))
3.200 1.300 1.300 peak 914 spectrum 1 weight 0.10000E+01 volume 0.26627E-03 ppm1 2.190 ppm2 1.216 CV 1
OR { 914}
(( segid "AAAA" and resid 65 and name HB ))
(( segid "AAAA" and resid 62 and name HG1 ))
OR { 914}
(( segid "BBBB" and resid 60 and name HG2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
ASSI { 915}
(( segid "BBBB" and resid 44 and name HA ))
(( segid "BBBB" and resid 44 and name HG2 ))
2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.38100E-03 ppm1 4.276 ppm2 2.381 CV 1
ASSI { 917}
(( segid "AAAA" and resid 68 and name HN ))
(( segid "AAAA" and resid 67 and name HG2 ))
2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 8.401 ppm2 2.310 CV 1
ASSI { 928}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.500 2.500 3.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.86012E-03 ppm1 2.764 ppm2 1.257 CV 1
OR { 928}
(( segid "AAAA" and resid 52 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 928}
(( segid "AAAA" and resid 23 and name HB2 ))
(( segid "AAAA" and resid 22 and name HG1 ))
ASSI { 930}
( segid "BBBB" and resid 76 and name HE% )
(( segid "BBBB" and resid 71 and name HG ))
2.700 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.67894E-03 ppm1 6.702 ppm2 1.444 CV 1
OR { 930}
( segid "AAAA" and resid 76 and name HE% )
(( segid "AAAA" and resid 71 and name HG ))
OR { 930}
( segid "AAAA" and resid 21 and name HD% )
(( segid "AAAA" and resid 71 and name HG ))
ASSI { 932}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "BBBB" and resid 83 and name HG ))
1.600 1.600 4.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.45224E-03 ppm1 3.537 ppm2 1.450 CV 1
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "BBBB" and resid 80 and name HB ))
OR { 932}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 932}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 932}
(( segid "BBBB" and resid 84 and name HA ))
(( segid "AAAA" and resid 80 and name HB ))
OR { 932}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
OR { 932}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 61 and name HG2 ))
ASSI { 940}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 41 and name HB2 ))
1.000 1.000 5.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 3.362 ppm2 1.585 CV 1
OR { 940}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 41 and name HB2 ))
OR { 940}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 89 and name HD2 ))
OR { 940}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 89 and name HD2 ))
OR { 940}
(( segid "BBBB" and resid 48 and name HB2 ))
(( segid "BBBB" and resid 98 and name HD2 ))
OR { 940}
(( segid "AAAA" and resid 48 and name HB2 ))
(( segid "AAAA" and resid 98 and name HD2 ))
ASSI { 942}
(( segid "BBBB" and resid 20 and name HN ))
( segid "BBBB" and resid 21 and name HD% )
2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.29475E-03 ppm1 7.018 ppm2 6.704 CV 1
OR { 942}
( segid "AAAA" and resid 23 and name HE% )
( segid "AAAA" and resid 21 and name HD% )
OR { 942}
( segid "BBBB" and resid 23 and name HE% )
( segid "BBBB" and resid 21 and name HD% )
ASSI { 944}
(( segid "BBBB" and resid 34 and name HB2 ))
(( segid "BBBB" and resid 26 and name HD2 ))
1.800 1.800 4.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.20991E-03 ppm1 3.420 ppm2 3.235 CV 1
OR { 944}
(( segid "AAAA" and resid 34 and name HB2 ))
(( segid "AAAA" and resid 26 and name HD2 ))
ASSI { 946}
(( segid "BBBB" and resid 86 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
2.300 2.300 3.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.50317E-03 ppm1 7.311 ppm2 4.276 CV 1
OR { 946}
(( segid "AAAA" and resid 21 and name HN ))
(( segid "AAAA" and resid 19 and name HA ))
OR { 946}
(( segid "BBBB" and resid 21 and name HN ))
(( segid "BBBB" and resid 19 and name HA ))
OR { 946}
(( segid "BBBB" and resid 46 and name HN ))
(( segid "AAAA" and resid 3 and name HA ))
OR { 946}
(( segid "BBBB" and resid 85 and name HN ))
(( segid "BBBB" and resid 87 and name HA ))
OR { 946}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "BBBB" and resid 3 and name HA ))
ASSI { 947}
(( segid "AAAA" and resid 37 and name HN ))
(( segid "AAAA" and resid 39 and name HN ))
3.000 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.24464E-03 ppm1 8.553 ppm2 8.430 CV 1
OR { 947}
(( segid "BBBB" and resid 54 and name HN ))
(( segid "BBBB" and resid 52 and name HN ))
ASSI { 948}
(( segid "BBBB" and resid 23 and name HA ))
(( segid "BBBB" and resid 23 and name HB2 ))
2.600 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.52411E-03 ppm1 3.971 ppm2 2.761 CV 1
ASSI { 950}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 58 and name HG2 ))
2.200 2.200 3.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.47491E-03 ppm1 3.303 ppm2 2.328 CV 1
OR { 950}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 58 and name HG2 ))
OR { 950}
(( segid "AAAA" and resid 72 and name HD2 ))
(( segid "AAAA" and resid 32 and name HB2 ))
OR { 950}
(( segid "BBBB" and resid 72 and name HD2 ))
(( segid "BBBB" and resid 33 and name HB2 ))
ASSI { 951}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 57 and name HB2 ))
2.300 2.300 3.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.34163E-03 ppm1 3.326 ppm2 2.521 CV 1
OR { 951}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 57 and name HB2 ))
OR { 951}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "AAAA" and resid 1 and name HG2 ))
ASSI { 952}
(( segid "BBBB" and resid 10 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
2.600 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.60163E-03 ppm1 7.897 ppm2 3.738 CV 1
ASSI { 954}
(( segid "BBBB" and resid 95 and name HN ))
(( segid "BBBB" and resid 93 and name HG ))
2.700 2.700 3.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.52379E-03 ppm1 7.604 ppm2 1.380 CV 1
ASSI { 955}
(( segid "BBBB" and resid 77 and name HA ))
( segid "BBBB" and resid 80 and name HG2%)
2.700 2.700 3.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.45683E-03 ppm1 3.737 ppm2 0.766 CV 1
ASSI { 956}
(( segid "AAAA" and resid 68 and name HB1 ))
(( segid "AAAA" and resid 68 and name HB2 ))
1.600 1.600 4.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.53192E-03 ppm1 3.467 ppm2 3.100 CV 1
OR { 956}
(( segid "BBBB" and resid 68 and name HB1 ))
(( segid "BBBB" and resid 68 and name HB2 ))
ASSI { 959}
(( segid "AAAA" and resid 22 and name HN ))
(( segid "AAAA" and resid 22 and name HG1 ))
2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.14017E-02 ppm1 8.764 ppm2 0.859 CV 1
ASSI { 961}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 39 and name HG2 ))
2.900 2.900 3.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.27552E-03 ppm1 3.315 ppm2 1.286 CV 1
OR { 961}
(( segid "BBBB" and resid 60 and name HA ))
(( segid "BBBB" and resid 39 and name HG2 ))
ASSI { 964}
(( segid "AAAA" and resid 14 and name HB2 ))
(( segid "AAAA" and resid 13 and name HG11))
1.700 1.700 4.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.31946E-03 ppm1 2.014 ppm2 1.579 CV 1
OR { 964}
(( segid "BBBB" and resid 14 and name HB2 ))
(( segid "BBBB" and resid 13 and name HG11))
OR { 964}
(( segid "BBBB" and resid 39 and name HB2 ))
(( segid "BBBB" and resid 41 and name HB2 ))
OR { 964}
(( segid "AAAA" and resid 58 and name HB2 ))
(( segid "AAAA" and resid 41 and name HB2 ))
ASSI { 965}
(( segid "AAAA" and resid 52 and name HA ))
( segid "BBBB" and resid 5 and name HG2%)
3.400 3.400 2.600 peak 965 spectrum 1 weight 0.10000E+01 volume 0.21144E-03 ppm1 4.698 ppm2 1.205 CV 1
OR { 965}
(( segid "BBBB" and resid 52 and name HA ))
( segid "AAAA" and resid 5 and name HG2%)
ASSI { 967}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 89 and name HD2 ))
1.900 1.900 4.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.49622E-03 ppm1 3.549 ppm2 1.573 CV 1
OR { 967}
(( segid "AAAA" and resid 85 and name HA ))
(( segid "AAAA" and resid 41 and name HB2 ))
OR { 967}
(( segid "AAAA" and resid 84 and name HA ))
(( segid "AAAA" and resid 89 and name HD2 ))
OR { 967}
(( segid "BBBB" and resid 85 and name HA ))
(( segid "BBBB" and resid 41 and name HB2 ))
ASSI { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 90 and name HA ))
2.700 2.700 3.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.65082E-03 ppm1 8.084 ppm2 4.007 CV 1
OR { 968}
(( segid "AAAA" and resid 92 and name HN ))
(( segid "AAAA" and resid 88 and name HA ))
OR { 968}
(( segid "BBBB" and resid 92 and name HN ))
(( segid "BBBB" and resid 88 and name HA ))
ASSI { 970}
( segid "BBBB" and resid 76 and name HD% )
(( segid "AAAA" and resid 89 and name HG2 ))
2.400 2.400 3.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.55653E-03 ppm1 6.866 ppm2 1.006 CV 1
OR { 970}
( segid "AAAA" and resid 76 and name HD% )
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 970}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "BBBB" and resid 89 and name HG2 ))
OR { 970}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "AAAA" and resid 89 and name HG2 ))
ASSI { 973}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "BBBB" and resid 2 and name HA ))
2.300 2.300 3.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.46755E-03 ppm1 7.955 ppm2 4.405 CV 1
ASSI { 974}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
1.500 1.500 4.500 peak 974 spectrum 1 weight 0.10000E+01 volume 0.44320E-03 ppm1 4.241 ppm2 3.106 CV 1
OR { 974}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 88 and name HD2 ))
OR { 974}
(( segid "BBBB" and resid 41 and name HA ))
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 974}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 38 and name HB2 ))
OR { 974}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 38 and name HB2 ))
OR { 974}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 38 and name HB2 ))
OR { 974}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 974}
(( segid "AAAA" and resid 4 and name HA ))
(( segid "BBBB" and resid 59 and name HD2 ))
OR { 974}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 59 and name HD2 ))
OR { 974}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 51 and name HE2 ))
ASSI { 976}
(( segid "AAAA" and resid 88 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
2.900 2.900 3.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.19666E-03 ppm1 4.018 ppm2 3.551 CV 1
ASSI { 977}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 63 and name HG ))
2.800 2.800 3.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.42068E-03 ppm1 8.377 ppm2 1.146 CV 1
OR { 977}
(( segid "BBBB" and resid 14 and name HN ))
(( segid "BBBB" and resid 15 and name HG1 ))
OR { 977}
(( segid "AAAA" and resid 39 and name HN ))
(( segid "AAAA" and resid 43 and name HG1 ))
ASSI { 979}
( segid "BBBB" and resid 23 and name HE% )
(( segid "BBBB" and resid 22 and name HG1 ))
2.500 2.500 3.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.46576E-03 ppm1 7.018 ppm2 0.877 CV 1
OR { 979}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 22 and name HG1 ))
ASSI { 981}
(( segid "BBBB" and resid 45 and name HE22))
(( segid "BBBB" and resid 41 and name HG ))
2.900 2.900 3.100 peak 981 spectrum 1 weight 0.10000E+01 volume 0.44083E-03 ppm1 6.573 ppm2 1.000 CV 1
OR { 981}
(( segid "AAAA" and resid 45 and name HE22))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 982}
(( segid "AAAA" and resid 66 and name HB2 ))
(( segid "AAAA" and resid 66 and name HB1 ))
1.600 1.600 4.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.68313E-03 ppm1 3.244 ppm2 2.720 CV 1
OR { 982}
(( segid "BBBB" and resid 66 and name HB2 ))
(( segid "BBBB" and resid 66 and name HB1 ))
ASSI { 984}
(( segid "AAAA" and resid 36 and name HA ))
(( segid "AAAA" and resid 38 and name HB2 ))
2.200 2.200 3.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.52983E-03 ppm1 4.498 ppm2 3.083 CV 1
ASSI { 986}
(( segid "BBBB" and resid 77 and name HA ))
(( segid "BBBB" and resid 80 and name HB ))
1.600 0.300 0.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.50100E-03 ppm1 3.748 ppm2 1.450 CV 1
OR { 986}
(( segid "AAAA" and resid 10 and name HA ))
(( segid "AAAA" and resid 9 and name HG ))
OR { 986}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "BBBB" and resid 9 and name HG ))
OR { 986}
(( segid "BBBB" and resid 10 and name HA ))
(( segid "AAAA" and resid 83 and name HG ))
ASSI { 991}
(( segid "BBBB" and resid 21 and name HN ))
( segid "BBBB" and resid 20 and name HD% )
2.800 1.000 1.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.37385E-03 ppm1 7.276 ppm2 6.582 CV 1
OR { 991}
(( segid "AAAA" and resid 46 and name HN ))
(( segid "AAAA" and resid 45 and name HE22))
ASSI { 993}
(( segid "BBBB" and resid 49 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.47581E-03 ppm1 4.194 ppm2 3.323 CV 1
OR { 993}
(( segid "BBBB" and resid 25 and name HA1 ))
(( segid "BBBB" and resid 21 and name HB2 ))
OR { 993}
(( segid "BBBB" and resid 47 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
ASSI { 994}
(( segid "BBBB" and resid 57 and name HA ))
(( segid "BBBB" and resid 60 and name HB2 ))
2.600 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.22642E-03 ppm1 4.252 ppm2 1.731 CV 1
ASSI { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 85 and name HA ))
2.900 1.100 1.100 peak 995 spectrum 1 weight 0.10000E+01 volume 0.32143E-03 ppm1 4.088 ppm2 3.545 CV 1
OR { 995}
(( segid "AAAA" and resid 86 and name HA ))
(( segid "AAAA" and resid 85 and name HA ))
OR { 995}
(( segid "BBBB" and resid 86 and name HA ))
(( segid "BBBB" and resid 84 and name HA ))
ASSI { 996}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
5.600 3.900 0.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.35258E-03 ppm1 8.647 ppm2 1.140 CV 1
ASSI { 999}
(( segid "AAAA" and resid 64 and name HB2 ))
(( segid "AAAA" and resid 67 and name HG2 ))
2.800 2.800 3.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.33159E-03 ppm1 2.893 ppm2 2.287 CV 1
OR { 999}
(( segid "BBBB" and resid 64 and name HB2 ))
(( segid "BBBB" and resid 67 and name HG2 ))
ASSI { 1002}
(( segid "AAAA" and resid 36 and name HB2 ))
(( segid "AAAA" and resid 26 and name HB2 ))
2.900 2.900 3.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.62416E-04 ppm1 2.260 ppm2 2.088 CV 1
OR { 1002}
(( segid "BBBB" and resid 36 and name HB2 ))
(( segid "BBBB" and resid 26 and name HB2 ))
ASSI { 1007}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 62 and name HG1 ))
2.600 2.600 3.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.28648E-03 ppm1 2.530 ppm2 1.205 CV 1
OR { 1007}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 59 and name HG2 ))
OR { 1007}
(( segid "AAAA" and resid 57 and name HB2 ))
(( segid "AAAA" and resid 59 and name HG2 ))
OR { 1007}
(( segid "BBBB" and resid 57 and name HB2 ))
(( segid "BBBB" and resid 62 and name HG1 ))
ASSI { 1010}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 41 and name HG ))
3.200 1.300 1.300 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.30559E-03 ppm1 4.358 ppm2 0.994 CV 1
OR { 1010}
(( segid "AAAA" and resid 1 and name HA ))
(( segid "BBBB" and resid 41 and name HG ))
OR { 1010}
(( segid "BBBB" and resid 6 and name HA ))
(( segid "AAAA" and resid 89 and name HG2 ))
OR { 1010}
(( segid "AAAA" and resid 6 and name HA ))
(( segid "BBBB" and resid 89 and name HG2 ))
ASSI { 1011}
(( segid "BBBB" and resid 2 and name HN ))
(( segid "AAAA" and resid 41 and name HG ))
2.700 2.700 3.300 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.82900E-03 ppm1 8.237 ppm2 0.982 CV 1
OR { 1011}
(( segid "AAAA" and resid 2 and name HN ))
(( segid "BBBB" and resid 41 and name HG ))
ASSI { 1012}
(( segid "AAAA" and resid 87 and name HA ))
(( segid "AAAA" and resid 89 and name HE2 ))
2.300 2.300 3.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.22433E-03 ppm1 4.323 ppm2 3.170 CV 1
OR { 1012}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 1012}
(( segid "BBBB" and resid 1 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
ASSI { 1013}
(( segid "AAAA" and resid 79 and name HN ))
(( segid "AAAA" and resid 77 and name HA ))
2.900 1.100 1.100 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.54590E-03 ppm1 6.854 ppm2 3.761 CV 1
OR { 1013}
(( segid "BBBB" and resid 79 and name HN ))
(( segid "BBBB" and resid 77 and name HA ))
OR { 1013}
( segid "AAAA" and resid 76 and name HD% )
(( segid "AAAA" and resid 77 and name HA ))
ASSI { 1016}
(( segid "BBBB" and resid 72 and name HB2 ))
(( segid "BBBB" and resid 32 and name HB2 ))
3.200 1.300 1.300 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.18453E-03 ppm1 2.295 ppm2 1.889 CV 1
OR { 1016}
(( segid "AAAA" and resid 72 and name HB2 ))
(( segid "AAAA" and resid 32 and name HB2 ))
ASSI { 1018}
(( segid "BBBB" and resid 78 and name HN ))
(( segid "BBBB" and resid 76 and name HB2 ))
2.500 2.500 3.500 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.64224E-03 ppm1 7.276 ppm2 2.831 CV 1
ASSI { 1020}
(( segid "BBBB" and resid 9 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
3.000 3.000 3.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.27570E-03 ppm1 8.670 ppm2 3.697 CV 1
OR { 1020}
(( segid "BBBB" and resid 7 and name HN ))
(( segid "BBBB" and resid 10 and name HA ))
ASSI { 1022}
( segid "AAAA" and resid 73 and name HE% )
(( segid "AAAA" and resid 72 and name HD2 ))
4.700 2.900 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.34663E-03 ppm1 7.100 ppm2 3.328 CV 1
ASSI { 1023}
(( segid "BBBB" and resid 40 and name HN ))
(( segid "BBBB" and resid 43 and name HA ))
1.500 1.500 4.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.46170E-03 ppm1 7.920 ppm2 3.826 CV 1
OR { 1023}
(( segid "AAAA" and resid 98 and name HN ))
(( segid "AAAA" and resid 94 and name HA2 ))
OR { 1023}
(( segid "BBBB" and resid 98 and name HN ))
(( segid "BBBB" and resid 94 and name HA2 ))
OR { 1023}
(( segid "BBBB" and resid 59 and name HN ))
(( segid "BBBB" and resid 53 and name HA ))
OR { 1023}
(( segid "AAAA" and resid 59 and name HN ))
(( segid "AAAA" and resid 53 and name HA ))
ASSI { 1032}
(( segid "AAAA" and resid 32 and name HA ))
(( segid "AAAA" and resid 32 and name HB2 ))
2.900 1.100 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.27946E-03 ppm1 5.155 ppm2 3.674 CV 1
ASSI { 1034}
(( segid "BBBB" and resid 75 and name HN ))
(( segid "BBBB" and resid 75 and name HB2 ))
3.000 1.100 1.100 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.49669E-03 ppm1 7.100 ppm2 2.275 CV 1
OR { 1034}
(( segid "AAAA" and resid 75 and name HN ))
(( segid "AAAA" and resid 75 and name HB2 ))
ASSI { 1035}
(( segid "BBBB" and resid 20 and name HN ))
(( segid "BBBB" and resid 20 and name HB2 ))
2.900 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.36218E-03 ppm1 7.018 ppm2 3.089 CV 1
OR { 1035}
( segid "BBBB" and resid 38 and name HD% )
(( segid "BBBB" and resid 38 and name HB2 ))
ASSI { 1037}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 60 and name HB2 ))
3.600 1.600 1.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.13232E-03 ppm1 1.826 ppm2 1.737 CV 1
OR { 1037}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 60 and name HB2 ))
OR { 1037}
(( segid "AAAA" and resid 29 and name HG2 ))
(( segid "AAAA" and resid 27 and name HB2 ))
OR { 1037}
(( segid "AAAA" and resid 59 and name HB2 ))
(( segid "AAAA" and resid 39 and name HD2 ))
OR { 1037}
(( segid "BBBB" and resid 59 and name HB2 ))
(( segid "BBBB" and resid 39 and name HD2 ))
ASSI { 1041}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 52 and name HB2 ))
2.200 0.600 0.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.32538E-03 ppm1 4.287 ppm2 2.773 CV 1
OR { 1041}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 52 and name HB2 ))
ASSI { 1044}
(( segid "BBBB" and resid 38 and name HB2 ))
(( segid "BBBB" and resid 41 and name HG ))
2.500 2.500 3.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.86087E-03 ppm1 3.069 ppm2 0.994 CV 1
OR { 1044}
(( segid "AAAA" and resid 85 and name HE2 ))
(( segid "AAAA" and resid 41 and name HG ))
ASSI { 1049}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
1.500 1.500 4.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.19870E-03 ppm1 4.241 ppm2 3.176 CV 1
OR { 1049}
(( segid "AAAA" and resid 41 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 1049}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 47 and name HD2 ))
OR { 1049}
(( segid "BBBB" and resid 4 and name HA ))
(( segid "AAAA" and resid 89 and name HE2 ))
OR { 1049}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 47 and name HD1 ))
OR { 1049}
(( segid "AAAA" and resid 4 and name HA ))
(( segid "BBBB" and resid 47 and name HD2 ))
OR { 1049}
(( segid "AAAA" and resid 3 and name HA ))
(( segid "BBBB" and resid 89 and name HE2 ))
OR { 1049}
(( segid "BBBB" and resid 3 and name HA ))
(( segid "AAAA" and resid 89 and name HE2 ))
ASSI { 1052}
(( segid "AAAA" and resid 60 and name HA ))
(( segid "AAAA" and resid 60 and name HG2 ))
2.900 1.100 1.100 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.28613E-03 ppm1 3.326 ppm2 2.240 CV 1
OR { 1052}
(( segid "BBBB" and resid 56 and name HA ))
(( segid "BBBB" and resid 60 and name HG2 ))
ASSI { 1055}
(( segid "BBBB" and resid 77 and name HD1 ))
(( segid "BBBB" and resid 69 and name HA ))
1.900 1.900 4.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.34190E-03 ppm1 7.241 ppm2 4.317 CV 1
ASSI { 1057}
(( segid "AAAA" and resid 7 and name HN ))
( segid "AAAA" and resid 5 and name HG2%)
6.000 6.000 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30748E-03 ppm1 8.694 ppm2 1.134 CV 1
ASSI { 1058}
(( segid "AAAA" and resid 23 and name HN ))
( segid "AAAA" and resid 21 and name HD% )
2.900 1.000 1.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.46783E-03 ppm1 7.405 ppm2 6.763 CV 1
OR { 1058}
(( segid "AAAA" and resid 25 and name HN ))
( segid "AAAA" and resid 21 and name HD% )
OR { 1058}
(( segid "BBBB" and resid 25 and name HN ))
( segid "BBBB" and resid 21 and name HD% )
ASSI { 1059}
(( segid "AAAA" and resid 67 and name HE21))
(( segid "AAAA" and resid 67 and name HG2 ))
2.500 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.61776E-03 ppm1 7.920 ppm2 2.316 CV 1
ASSI { 1065}
(( segid "BBBB" and resid 16 and name HN ))
(( segid "BBBB" and resid 17 and name HN ))
2.700 0.900 0.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.42381E-03 ppm1 8.635 ppm2 8.243 CV 1
ASSI { 1066}
(( segid "AAAA" and resid 50 and name HA ))
(( segid "AAAA" and resid 48 and name HB2 ))
3.100 3.100 2.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.37048E-03 ppm1 4.510 ppm2 3.364 CV 1
OR { 1066}
(( segid "BBBB" and resid 50 and name HA ))
(( segid "BBBB" and resid 48 and name HB2 ))
Contact the webmaster for help, if required. Friday, May 10, 2024 2:36:56 AM GMT (wattos1)