NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
538149 |
2lnk   |
18169 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid "A " and resid 93 and name HA ))
(( segid "A " and resid 93 and name HB2 ))
2.300 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 4.792 ppm2 3.158 CV 1
ASSI { 3}
(( segid "A " and resid 93 and name HA ))
(( segid "A " and resid 93 and name HB3 ))
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.67498E-02 ppm1 4.789 ppm2 2.948 CV 1
ASSI { 20}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 93 and name HB3 ))
2.500 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.74675E-02 ppm1 4.804 ppm2 2.936 CV 1
ASSI { 21}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 93 and name HB2 ))
2.100 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12002E-01 ppm1 4.807 ppm2 3.155 CV 1
ASSI { 22}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 94 and name HD2 ))
2.000 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14224E-01 ppm1 4.804 ppm2 3.721 CV 1
ASSI { 23}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 94 and name HD3 ))
2.000 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14198E-01 ppm1 4.807 ppm2 3.568 CV 1
ASSI { 26}
(( segid "B " and resid 92 and name HA3 ))
(( segid "B " and resid 93 and name H ))
3.500 1.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.22456E-02 ppm1 3.727 ppm2 7.972 CV 1
ASSI { 30}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 91 and name H ))
2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.37891E-02 ppm1 4.004 ppm2 8.032 CV 1
ASSI { 31}
(( segid "A " and resid 91 and name HB2 ))
(( segid "A " and resid 91 and name H ))
2.900 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 1.900 ppm2 8.030 CV 1
ASSI { 32}
(( segid "A " and resid 91 and name HB2 ))
(( segid "A " and resid 92 and name H ))
3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 1.890 ppm2 7.201 CV 1
ASSI { 34}
(( segid "B " and resid 91 and name HA ))
(( segid "A " and resid 17 and name HD2 ))
3.600 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.83909E-03 ppm1 4.007 ppm2 7.420 CV 1
ASSI { 35}
(( segid "B " and resid 91 and name HA ))
( segid "A " and resid 27 and name HD% )
2.700 2.700 3.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.76124E-03 ppm1 4.008 ppm2 7.486 CV 1
ASSI { 36}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 91 and name HB3 ))
2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.34834E-02 ppm1 4.008 ppm2 1.774 CV 1
ASSI { 37}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 91 and name HB2 ))
2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.88958E-02 ppm1 4.005 ppm2 1.906 CV 1
OR { 37}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 91 and name HG3 ))
ASSI { 38}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 91 and name HG2 ))
3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 4.005 ppm2 2.216 CV 1
ASSI { 40}
(( segid "A " and resid 91 and name HB3 ))
(( segid "A " and resid 92 and name H ))
4.500 2.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.69364E-03 ppm1 1.777 ppm2 7.193 CV 1
ASSI { 42}
(( segid "A " and resid 91 and name HG2 ))
(( segid "A " and resid 91 and name H ))
3.300 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.22088E-02 ppm1 2.218 ppm2 8.030 CV 1
ASSI { 43}
(( segid "A " and resid 91 and name HG2 ))
( segid "A " and resid 90 and name HD% )
3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.78510E-03 ppm1 2.213 ppm2 6.918 CV 1
ASSI { 46}
(( segid "A " and resid 91 and name HG2 ))
(( segid "A " and resid 91 and name HB3 ))
2.600 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.41749E-02 ppm1 2.214 ppm2 1.771 CV 1
ASSI { 47}
(( segid "A " and resid 91 and name HG3 ))
(( segid "A " and resid 91 and name H ))
3.200 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 1.910 ppm2 8.030 CV 1
ASSI { 48}
(( segid "A " and resid 91 and name HG3 ))
(( segid "A " and resid 91 and name HA ))
3.300 1.400 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.29783E-02 ppm1 1.915 ppm2 4.005 CV 1
ASSI { 49}
(( segid "A " and resid 91 and name HG3 ))
(( segid "A " and resid 91 and name HG2 ))
1.800 0.400 0.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10587E-01 ppm1 1.911 ppm2 2.213 CV 1
ASSI { 50}
(( segid "A " and resid 91 and name HG3 ))
(( segid "A " and resid 91 and name HB3 ))
3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.47645E-02 ppm1 1.914 ppm2 1.769 CV 1
ASSI { 51}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 91 and name H ))
2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.31647E-02 ppm1 3.977 ppm2 8.093 CV 1
ASSI { 53}
(( segid "B " and resid 91 and name HA ))
( segid "B " and resid 90 and name HD% )
3.600 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.78033E-03 ppm1 3.976 ppm2 6.936 CV 1
ASSI { 54}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 91 and name HG3 ))
3.400 1.400 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 3.978 ppm2 2.268 CV 1
ASSI { 55}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 91 and name HG2 ))
2.900 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.35615E-02 ppm1 3.976 ppm2 1.971 CV 1
ASSI { 56}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 91 and name HB2 ))
2.600 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.45520E-02 ppm1 3.974 ppm2 1.899 CV 1
ASSI { 57}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 91 and name HB3 ))
2.800 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.33294E-02 ppm1 3.974 ppm2 1.800 CV 1
ASSI { 60}
(( segid "B " and resid 91 and name HB3 ))
(( segid "B " and resid 91 and name HG3 ))
3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.22890E-02 ppm1 1.806 ppm2 2.261 CV 1
ASSI { 62}
(( segid "B " and resid 91 and name HG2 ))
(( segid "B " and resid 91 and name HB3 ))
2.800 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.36374E-02 ppm1 1.974 ppm2 1.799 CV 1
ASSI { 66}
(( segid "B " and resid 91 and name HG3 ))
( segid "B " and resid 90 and name HD% )
4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.76799E-03 ppm1 2.270 ppm2 6.928 CV 1
ASSI { 67}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 90 and name HB3 ))
3.100 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.30563E-02 ppm1 4.165 ppm2 2.818 CV 1
ASSI { 68}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 90 and name HB2 ))
2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.41336E-02 ppm1 4.166 ppm2 2.969 CV 1
ASSI { 70}
(( segid "A " and resid 90 and name HA ))
( segid "A " and resid 90 and name HD% )
3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.34508E-02 ppm1 4.167 ppm2 6.928 CV 1
ASSI { 74}
(( segid "A " and resid 90 and name HB2 ))
( segid "A " and resid 90 and name HD% )
2.700 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.25989E-02 ppm1 2.970 ppm2 6.922 CV 1
ASSI { 76}
(( segid "A " and resid 90 and name HB2 ))
(( segid "B " and resid 13 and name HG23))
3.400 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.13979E-02 ppm1 2.969 ppm2 0.856 CV 1
OR { 76}
(( segid "A " and resid 90 and name HB2 ))
(( segid "B " and resid 13 and name HG22))
OR { 76}
(( segid "A " and resid 90 and name HB2 ))
(( segid "B " and resid 13 and name HG21))
ASSI { 81}
(( segid "A " and resid 90 and name HB3 ))
(( segid "A " and resid 87 and name HA ))
4.200 2.300 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.97911E-03 ppm1 2.814 ppm2 4.242 CV 1
ASSI { 82}
(( segid "A " and resid 90 and name HB3 ))
(( segid "B " and resid 13 and name HG23))
4.600 2.600 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.91819E-03 ppm1 2.822 ppm2 0.860 CV 1
OR { 82}
(( segid "A " and resid 90 and name HB3 ))
(( segid "B " and resid 13 and name HG22))
OR { 82}
(( segid "A " and resid 90 and name HB3 ))
(( segid "B " and resid 13 and name HG21))
ASSI { 85}
(( segid "B " and resid 90 and name HA ))
( segid "B " and resid 90 and name HD% )
2.900 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.31452E-02 ppm1 4.193 ppm2 6.939 CV 1
ASSI { 87}
(( segid "B " and resid 90 and name HB2 ))
( segid "B " and resid 90 and name HD% )
2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25036E-02 ppm1 3.035 ppm2 6.935 CV 1
ASSI { 88}
(( segid "B " and resid 90 and name HB2 ))
(( segid "B " and resid 91 and name H ))
4.300 2.300 1.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 3.032 ppm2 8.099 CV 1
ASSI { 89}
(( segid "B " and resid 90 and name HB2 ))
(( segid "B " and resid 90 and name HA ))
2.700 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.26401E-02 ppm1 3.036 ppm2 4.195 CV 1
ASSI { 90}
(( segid "B " and resid 90 and name HB2 ))
(( segid "B " and resid 87 and name HA ))
4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.21002E-02 ppm1 3.038 ppm2 4.256 CV 1
ASSI { 91}
(( segid "B " and resid 90 and name HB3 ))
( segid "B " and resid 90 and name HD% )
2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25513E-02 ppm1 2.943 ppm2 6.936 CV 1
ASSI { 97}
(( segid "A " and resid 89 and name HA ))
(( segid "A " and resid 89 and name HB3 ))
3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.31452E-02 ppm1 4.439 ppm2 2.999 CV 1
ASSI { 98}
(( segid "A " and resid 89 and name HA ))
(( segid "A " and resid 89 and name HB2 ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.34204E-02 ppm1 4.440 ppm2 3.119 CV 1
ASSI { 99}
(( segid "A " and resid 89 and name HA ))
(( segid "A " and resid 92 and name HA2 ))
2.200 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10277E-01 ppm1 4.436 ppm2 3.817 CV 1
ASSI { 103}
(( segid "A " and resid 89 and name HB3 ))
(( segid "A " and resid 90 and name H ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 3.002 ppm2 7.574 CV 1
ASSI { 108}
(( segid "B " and resid 89 and name HA ))
(( segid "B " and resid 89 and name HB3 ))
2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.25903E-02 ppm1 4.457 ppm2 3.027 CV 1
ASSI { 109}
(( segid "B " and resid 89 and name HA ))
(( segid "B " and resid 89 and name HB2 ))
3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.29089E-02 ppm1 4.457 ppm2 3.261 CV 1
ASSI { 113}
(( segid "B " and resid 89 and name HB2 ))
( segid "B " and resid 89 and name HD% )
2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 3.261 ppm2 7.262 CV 1
ASSI { 114}
(( segid "B " and resid 89 and name HB2 ))
(( segid "B " and resid 89 and name H ))
2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25925E-02 ppm1 3.264 ppm2 7.377 CV 1
ASSI { 116}
(( segid "B " and resid 89 and name HB3 ))
(( segid "B " and resid 90 and name H ))
3.400 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.21366E-02 ppm1 3.030 ppm2 7.734 CV 1
ASSI { 118}
(( segid "B " and resid 89 and name HB3 ))
( segid "B " and resid 89 and name HD% )
2.900 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.20729E-02 ppm1 3.028 ppm2 7.257 CV 1
ASSI { 121}
(( segid "B " and resid 89 and name HB2 ))
(( segid "B " and resid 86 and name HA ))
3.200 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.81284E-03 ppm1 3.263 ppm2 4.259 CV 1
ASSI { 125}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 19 and name H ))
3.300 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 3.940 ppm2 6.845 CV 1
ASSI { 128}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 88 and name HB3 ))
2.400 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.11998E-01 ppm1 3.942 ppm2 1.899 CV 1
ASSI { 129}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 88 and name HB2 ))
2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.47277E-02 ppm1 3.943 ppm2 2.042 CV 1
ASSI { 130}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 88 and name HG3 ))
2.800 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.39644E-02 ppm1 3.941 ppm2 2.162 CV 1
ASSI { 131}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 88 and name HG2 ))
3.200 1.300 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 3.938 ppm2 2.422 CV 1
ASSI { 132}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 18 and name HG2 ))
3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.28981E-02 ppm1 3.940 ppm2 1.376 CV 1
ASSI { 134}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 18 and name HG3 ))
3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 3.944 ppm2 0.720 CV 1
ASSI { 137}
(( segid "A " and resid 88 and name HB2 ))
(( segid "A " and resid 85 and name HA ))
3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 2.043 ppm2 4.275 CV 1
ASSI { 139}
(( segid "A " and resid 88 and name HB3 ))
(( segid "A " and resid 85 and name HA ))
3.400 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 1.899 ppm2 4.266 CV 1
ASSI { 141}
(( segid "A " and resid 88 and name HB2 ))
(( segid "A " and resid 89 and name H ))
3.500 1.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 2.041 ppm2 7.376 CV 1
ASSI { 142}
(( segid "A " and resid 88 and name HB3 ))
(( segid "A " and resid 89 and name H ))
2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.22305E-02 ppm1 1.905 ppm2 7.374 CV 1
ASSI { 143}
(( segid "A " and resid 88 and name HB2 ))
(( segid "A " and resid 88 and name H ))
2.700 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.26532E-02 ppm1 2.048 ppm2 7.559 CV 1
ASSI { 146}
(( segid "A " and resid 88 and name HG2 ))
(( segid "A " and resid 88 and name HB3 ))
2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.39428E-02 ppm1 2.424 ppm2 1.905 CV 1
ASSI { 147}
(( segid "A " and resid 88 and name HG2 ))
(( segid "A " and resid 88 and name HB2 ))
3.000 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.36913E-02 ppm1 2.424 ppm2 2.044 CV 1
ASSI { 149}
(( segid "A " and resid 88 and name HG3 ))
(( segid "A " and resid 88 and name HB3 ))
2.900 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.45888E-02 ppm1 2.156 ppm2 1.904 CV 1
ASSI { 150}
(( segid "A " and resid 88 and name HG2 ))
(( segid "A " and resid 88 and name H ))
3.500 1.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.29761E-02 ppm1 2.425 ppm2 7.560 CV 1
ASSI { 153}
(( segid "A " and resid 87 and name HA ))
(( segid "A " and resid 88 and name H ))
3.300 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 4.248 ppm2 7.569 CV 1
ASSI { 155}
(( segid "A " and resid 87 and name HA ))
(( segid "A " and resid 87 and name HB2 ))
2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 4.246 ppm2 2.390 CV 1
ASSI { 157}
(( segid "A " and resid 87 and name HB2 ))
(( segid "A " and resid 88 and name H ))
4.600 2.600 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.51438E-03 ppm1 2.396 ppm2 7.562 CV 1
ASSI { 160}
(( segid "A " and resid 87 and name HB2 ))
(( segid "B " and resid 72 and name HZ ))
2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.76647E-03 ppm1 2.392 ppm2 6.906 CV 1
ASSI { 163}
(( segid "B " and resid 87 and name HA ))
(( segid "B " and resid 88 and name H ))
3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.95373E-03 ppm1 4.266 ppm2 7.706 CV 1
ASSI { 164}
(( segid "B " and resid 87 and name HA ))
(( segid "B " and resid 87 and name HB3 ))
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18873E-02 ppm1 4.266 ppm2 1.748 CV 1
ASSI { 165}
(( segid "B " and resid 87 and name HA ))
(( segid "B " and resid 87 and name HB2 ))
2.900 1.100 1.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 4.266 ppm2 2.362 CV 1
ASSI { 166}
(( segid "B " and resid 87 and name HA ))
(( segid "B " and resid 90 and name HB3 ))
3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 4.258 ppm2 2.946 CV 1
ASSI { 169}
(( segid "B " and resid 62 and name HA ))
( segid "C " and resid 1917 and name HD2%)
3.100 1.200 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15490E-02 ppm1 4.265 ppm2 1.019 CV 1
ASSI { 171}
(( segid "B " and resid 87 and name HA ))
(( segid "A " and resid 13 and name HG13))
3.600 1.600 1.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 4.266 ppm2 1.276 CV 1
OR { 171}
(( segid "B " and resid 87 and name HA ))
(( segid "A " and resid 13 and name HG12))
OR { 171}
(( segid "B " and resid 87 and name HA ))
(( segid "A " and resid 13 and name HG11))
ASSI { 172}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 62 and name HB3 ))
2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 4.270 ppm2 1.373 CV 1
ASSI { 173}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 62 and name HB2 ))
3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 4.266 ppm2 1.681 CV 1
ASSI { 177}
(( segid "A " and resid 87 and name HA ))
(( segid "B " and resid 13 and name HG23))
2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.42334E-02 ppm1 4.258 ppm2 0.852 CV 1
OR { 177}
(( segid "A " and resid 87 and name HA ))
(( segid "B " and resid 13 and name HG22))
OR { 177}
(( segid "A " and resid 87 and name HA ))
(( segid "B " and resid 13 and name HG21))
ASSI { 178}
(( segid "B " and resid 87 and name HA ))
(( segid "A " and resid 72 and name HZ ))
3.500 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 4.257 ppm2 6.922 CV 1
ASSI { 179}
(( segid "A " and resid 86 and name HA ))
(( segid "A " and resid 86 and name HB3 ))
3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 4.194 ppm2 3.083 CV 1
ASSI { 180}
(( segid "A " and resid 86 and name HA ))
(( segid "A " and resid 86 and name HB2 ))
2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.15735E-02 ppm1 4.197 ppm2 3.245 CV 1
ASSI { 181}
(( segid "A " and resid 86 and name HA ))
(( segid "A " and resid 89 and name HB3 ))
3.400 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.70339E-03 ppm1 4.193 ppm2 3.004 CV 1
ASSI { 183}
(( segid "A " and resid 86 and name HA ))
(( segid "A " and resid 87 and name H ))
3.500 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.91364E-03 ppm1 4.190 ppm2 8.684 CV 1
ASSI { 185}
(( segid "A " and resid 86 and name HB2 ))
(( segid "A " and resid 87 and name H ))
4.300 2.300 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.69102E-03 ppm1 3.233 ppm2 8.677 CV 1
ASSI { 189}
(( segid "A " and resid 86 and name HB2 ))
(( segid "A " and resid 86 and name HB3 ))
2.100 0.500 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 3.238 ppm2 3.081 CV 1
ASSI { 191}
(( segid "A " and resid 86 and name HB2 ))
(( segid "B " and resid 13 and name HG12))
4.200 2.200 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 3.238 ppm2 1.273 CV 1
OR { 191}
(( segid "A " and resid 86 and name HB2 ))
(( segid "B " and resid 13 and name HG11))
OR { 191}
(( segid "A " and resid 86 and name HB2 ))
(( segid "B " and resid 13 and name HG13))
ASSI { 193}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG23))
3.200 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 3.073 ppm2 0.859 CV 1
OR { 193}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG21))
OR { 193}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG22))
ASSI { 195}
(( segid "A " and resid 86 and name HA ))
(( segid "B " and resid 13 and name HG12))
4.700 2.800 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67846E-03 ppm1 4.192 ppm2 1.274 CV 1
OR { 195}
(( segid "A " and resid 86 and name HA ))
(( segid "B " and resid 13 and name HG13))
OR { 195}
(( segid "A " and resid 86 and name HA ))
(( segid "B " and resid 13 and name HG11))
ASSI { 196}
(( segid "A " and resid 86 and name HB3 ))
(( segid "A " and resid 87 and name H ))
3.100 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.82391E-03 ppm1 3.077 ppm2 8.680 CV 1
ASSI { 199}
(( segid "B " and resid 86 and name HA ))
(( segid "B " and resid 86 and name HB2 ))
2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.12112E-02 ppm1 4.251 ppm2 3.430 CV 1
ASSI { 200}
(( segid "B " and resid 86 and name HA ))
(( segid "B " and resid 86 and name HB3 ))
3.200 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16558E-02 ppm1 4.254 ppm2 3.085 CV 1
ASSI { 201}
(( segid "B " and resid 86 and name HA ))
( segid "C " and resid 1930 and name HG2%)
3.400 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.88697E-03 ppm1 4.256 ppm2 1.030 CV 1
ASSI { 202}
(( segid "B " and resid 86 and name HA ))
( segid "C " and resid 1930 and name HG1%)
2.800 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 4.253 ppm2 0.963 CV 1
ASSI { 203}
(( segid "B " and resid 86 and name HA ))
( segid "B " and resid 89 and name HD% )
3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.84277E-03 ppm1 4.257 ppm2 7.266 CV 1
ASSI { 205}
(( segid "B " and resid 86 and name HA ))
(( segid "B " and resid 87 and name H ))
3.600 1.600 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 4.258 ppm2 8.600 CV 1
ASSI { 206}
(( segid "B " and resid 86 and name HA ))
(( segid "B " and resid 89 and name HB3 ))
4.800 2.800 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.76409E-03 ppm1 4.255 ppm2 3.035 CV 1
ASSI { 208}
(( segid "B " and resid 86 and name HB2 ))
(( segid "B " and resid 87 and name H ))
4.500 2.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.54538E-03 ppm1 3.428 ppm2 8.593 CV 1
ASSI { 214}
(( segid "B " and resid 86 and name HB2 ))
(( segid "B " and resid 86 and name HB3 ))
2.200 0.600 0.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.19734E-02 ppm1 3.435 ppm2 3.085 CV 1
ASSI { 218}
(( segid "B " and resid 86 and name HB2 ))
(( segid "B " and resid 83 and name HB3 ))
2.800 2.800 3.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.59003E-03 ppm1 3.424 ppm2 1.747 CV 1
OR { 218}
(( segid "B " and resid 86 and name HB2 ))
(( segid "B " and resid 83 and name HB2 ))
OR { 218}
(( segid "B " and resid 86 and name HB2 ))
(( segid "B " and resid 83 and name HB1 ))
ASSI { 219}
(( segid "B " and resid 86 and name HB3 ))
(( segid "B " and resid 83 and name HB3 ))
2.500 2.500 3.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 3.083 ppm2 1.742 CV 1
OR { 219}
(( segid "B " and resid 86 and name HB3 ))
(( segid "B " and resid 83 and name HB2 ))
ASSI { 221}
(( segid "A " and resid 85 and name HA ))
(( segid "A " and resid 85 and name HB2 ))
2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.17508E-02 ppm1 4.288 ppm2 2.582 CV 1
ASSI { 224}
(( segid "A " and resid 85 and name HA ))
(( segid "A " and resid 85 and name HB3 ))
3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.26770E-02 ppm1 4.290 ppm2 2.259 CV 1
ASSI { 227}
(( segid "A " and resid 85 and name HG2 ))
( segid "C " and resid 1903 and name HB% )
4.100 2.100 1.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.732 ppm2 1.600 CV 1
ASSI { 229}
(( segid "A " and resid 85 and name HG2 ))
(( segid "A " and resid 85 and name HB3 ))
2.600 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.27897E-02 ppm1 2.737 ppm2 2.267 CV 1
ASSI { 232}
(( segid "A " and resid 85 and name HG2 ))
(( segid "A " and resid 85 and name HB2 ))
2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 2.738 ppm2 2.584 CV 1
ASSI { 233}
(( segid "A " and resid 85 and name HG2 ))
(( segid "A " and resid 85 and name HA ))
2.800 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.23475E-02 ppm1 2.738 ppm2 4.293 CV 1
ASSI { 234}
(( segid "A " and resid 85 and name HG2 ))
(( segid "A " and resid 85 and name H ))
4.000 2.000 2.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.13322E-02 ppm1 2.738 ppm2 7.646 CV 1
ASSI { 235}
(( segid "A " and resid 85 and name HG2 ))
(( segid "A " and resid 86 and name H ))
3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 2.726 ppm2 8.446 CV 1
ASSI { 236}
(( segid "A " and resid 85 and name HG3 ))
( segid "C " and resid 1903 and name HB% )
2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.93314E-03 ppm1 2.491 ppm2 1.600 CV 1
ASSI { 237}
(( segid "A " and resid 85 and name HG3 ))
(( segid "A " and resid 85 and name HB3 ))
2.800 1.000 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 2.492 ppm2 2.267 CV 1
ASSI { 238}
(( segid "A " and resid 85 and name HG3 ))
(( segid "A " and resid 85 and name HG2 ))
1.700 0.300 0.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.82281E-02 ppm1 2.492 ppm2 2.734 CV 1
ASSI { 239}
(( segid "A " and resid 85 and name HG3 ))
(( segid "A " and resid 85 and name HA ))
3.400 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.17367E-02 ppm1 2.491 ppm2 4.291 CV 1
ASSI { 240}
(( segid "A " and resid 85 and name HG3 ))
(( segid "A " and resid 85 and name H ))
4.400 2.400 1.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 2.488 ppm2 7.646 CV 1
ASSI { 241}
(( segid "A " and resid 85 and name HG3 ))
(( segid "A " and resid 86 and name H ))
4.300 2.400 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.66503E-03 ppm1 2.486 ppm2 8.435 CV 1
ASSI { 244}
(( segid "A " and resid 85 and name HB2 ))
(( segid "A " and resid 84 and name HA ))
4.100 2.100 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 2.581 ppm2 4.066 CV 1
ASSI { 245}
(( segid "A " and resid 85 and name HB2 ))
( segid "C " and resid 1903 and name HB% )
2.800 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.67672E-03 ppm1 2.575 ppm2 1.596 CV 1
ASSI { 248}
(( segid "A " and resid 85 and name HB3 ))
( segid "C " and resid 1903 and name HB% )
3.200 1.300 1.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 2.263 ppm2 1.596 CV 1
ASSI { 251}
(( segid "A " and resid 85 and name HB3 ))
(( segid "A " and resid 85 and name HB2 ))
1.800 0.400 0.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.26770E-02 ppm1 2.263 ppm2 2.579 CV 1
ASSI { 252}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 85 and name H ))
2.000 2.000 4.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.49075E-02 ppm1 2.186 ppm2 7.646 CV 1
OR { 252}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 85 and name H ))
ASSI { 253}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1898 and name H ))
2.400 2.400 3.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 2.185 ppm2 8.226 CV 1
OR { 253}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1898 and name H ))
ASSI { 254}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1903 and name H ))
3.700 1.700 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.22695E-02 ppm1 2.186 ppm2 8.143 CV 1
OR { 254}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1903 and name H ))
OR { 254}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1903 and name H ))
ASSI { 255}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 45 and name H ))
2.600 2.600 3.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.96545E-03 ppm1 2.183 ppm2 7.947 CV 1
OR { 255}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 45 and name H ))
OR { 255}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 45 and name H ))
ASSI { 256}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name H ))
2.400 2.400 3.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 2.185 ppm2 7.808 CV 1
OR { 256}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name H ))
ASSI { 258}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 86 and name H ))
2.000 2.000 4.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.43199E-02 ppm1 2.185 ppm2 8.441 CV 1
OR { 258}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 86 and name H ))
OR { 258}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 86 and name H ))
ASSI { 259}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1899 and name H ))
4.200 2.200 1.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.12771E-02 ppm1 2.185 ppm2 8.713 CV 1
OR { 259}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1899 and name H ))
ASSI { 260}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 83 and name H ))
2.600 2.600 3.400 peak 260 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 2.186 ppm2 8.954 CV 1
OR { 260}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 83 and name H ))
ASSI { 261}
(( segid "A " and resid 85 and name HE1 ))
( segid "A " and resid 45 and name HE% )
1.700 1.700 4.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11599E-01 ppm1 2.185 ppm2 7.005 CV 1
OR { 261}
(( segid "A " and resid 85 and name HE3 ))
( segid "A " and resid 45 and name HE% )
ASSI { 263}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HD11))
2.600 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.56097E-02 ppm1 2.186 ppm2 -0.107 CV 1
OR { 263}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HD13))
OR { 263}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HD11))
OR { 263}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HD13))
OR { 263}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 82 and name HD11))
ASSI { 265}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HG21))
1.800 0.400 0.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20415E-01 ppm1 2.186 ppm2 0.049 CV 1
OR { 265}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HG21))
OR { 265}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 82 and name HG21))
OR { 265}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HG23))
OR { 265}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HG23))
OR { 265}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HG22))
OR { 265}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 82 and name HG23))
ASSI { 266}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HG12))
2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.33707E-02 ppm1 2.186 ppm2 0.324 CV 1
OR { 266}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HG12))
OR { 266}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 82 and name HG12))
ASSI { 267}
(( segid "A " and resid 85 and name HE1 ))
(( segid "B " and resid 9 and name HD23))
2.300 2.300 3.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.20698E-02 ppm1 2.186 ppm2 0.682 CV 1
OR { 267}
(( segid "A " and resid 85 and name HE3 ))
(( segid "B " and resid 9 and name HD23))
OR { 267}
(( segid "A " and resid 85 and name HE1 ))
(( segid "B " and resid 9 and name HD21))
OR { 267}
(( segid "A " and resid 85 and name HE1 ))
(( segid "B " and resid 9 and name HD22))
OR { 267}
(( segid "A " and resid 85 and name HE3 ))
(( segid "B " and resid 9 and name HD21))
OR { 267}
(( segid "A " and resid 85 and name HE3 ))
(( segid "B " and resid 9 and name HD22))
ASSI { 269}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD12))
2.500 2.500 3.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 2.184 ppm2 0.864 CV 1
OR { 269}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD11))
OR { 269}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD13))
OR { 269}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 58 and name HD12))
OR { 269}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD11))
OR { 269}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 58 and name HD11))
OR { 269}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD12))
OR { 269}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD13))
ASSI { 270}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1900 and name HD1%)
1.700 0.400 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.18687E-01 ppm1 2.186 ppm2 0.957 CV 1
OR { 270}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1900 and name HD1%)
OR { 270}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1900 and name HD1%)
ASSI { 271}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1900 and name HD2%)
2.400 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.70684E-02 ppm1 2.186 ppm2 1.092 CV 1
OR { 271}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1900 and name HD2%)
OR { 271}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1900 and name HD2%)
ASSI { 272}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1903 and name HB% )
1.800 0.400 0.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.18132E-01 ppm1 2.185 ppm2 1.596 CV 1
OR { 272}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1903 and name HB% )
OR { 272}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1903 and name HB% )
ASSI { 273}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 85 and name HG3 ))
1.800 0.400 0.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.18797E-01 ppm1 2.185 ppm2 2.494 CV 1
OR { 273}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 85 and name HG3 ))
OR { 273}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 85 and name HG3 ))
ASSI { 274}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 85 and name HB2 ))
2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11922E-01 ppm1 2.186 ppm2 2.581 CV 1
OR { 274}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 85 and name HB2 ))
OR { 274}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 85 and name HB2 ))
ASSI { 275}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 85 and name HG2 ))
2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.99448E-02 ppm1 2.186 ppm2 2.732 CV 1
OR { 275}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 85 and name HG2 ))
OR { 275}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 85 and name HG2 ))
ASSI { 276}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 82 and name HA ))
2.200 0.600 0.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 2.185 ppm2 3.498 CV 1
OR { 276}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 82 and name HA ))
OR { 276}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 82 and name HA ))
ASSI { 277}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1900 and name HA ))
2.000 0.500 0.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.65938E-02 ppm1 2.186 ppm2 4.198 CV 1
OR { 277}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1900 and name HA ))
OR { 277}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1900 and name HA ))
ASSI { 278}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 85 and name HA ))
2.200 2.200 3.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.29653E-02 ppm1 2.184 ppm2 4.295 CV 1
OR { 278}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 85 and name HA ))
ASSI { 279}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1903 and name HA ))
3.400 1.400 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.45388E-02 ppm1 2.186 ppm2 4.343 CV 1
OR { 279}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1903 and name HA ))
OR { 279}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1903 and name HA ))
ASSI { 280}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 45 and name HA ))
3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.23627E-02 ppm1 2.185 ppm2 4.464 CV 1
OR { 280}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 45 and name HA ))
ASSI { 283}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 86 and name H ))
3.000 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 4.266 ppm2 8.357 CV 1
ASSI { 284}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 85 and name HB3 ))
3.000 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 4.263 ppm2 2.304 CV 1
ASSI { 285}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 85 and name HB2 ))
2.300 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.35831E-02 ppm1 4.263 ppm2 2.467 CV 1
ASSI { 286}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 85 and name HG3 ))
3.100 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 4.267 ppm2 2.659 CV 1
ASSI { 287}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 85 and name HG2 ))
2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 4.269 ppm2 2.910 CV 1
ASSI { 288}
(( segid "B " and resid 85 and name HG3 ))
(( segid "B " and resid 85 and name HG2 ))
1.900 0.400 0.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.48077E-02 ppm1 2.658 ppm2 2.913 CV 1
ASSI { 293}
(( segid "B " and resid 85 and name HG2 ))
(( segid "B " and resid 85 and name HB2 ))
3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 2.909 ppm2 2.470 CV 1
ASSI { 294}
(( segid "B " and resid 85 and name HG2 ))
(( segid "B " and resid 85 and name HB3 ))
3.100 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 2.908 ppm2 2.301 CV 1
ASSI { 305}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HD12))
2.300 2.300 3.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.91344E-02 ppm1 2.098 ppm2 -0.164 CV 1
OR { 305}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HD11))
OR { 305}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HD12))
OR { 305}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HD12))
OR { 305}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HD11))
ASSI { 306}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HG21))
2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.56443E-02 ppm1 2.098 ppm2 0.254 CV 1
OR { 306}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HG23))
OR { 306}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HG22))
OR { 306}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HG21))
OR { 306}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HG23))
OR { 306}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HG21))
OR { 306}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HG23))
ASSI { 307}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HG12))
3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16422E-02 ppm1 2.098 ppm2 0.550 CV 1
OR { 307}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HG12))
OR { 307}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HG12))
ASSI { 308}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HG13))
2.300 2.300 3.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.18921E-02 ppm1 2.097 ppm2 0.466 CV 1
OR { 308}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HG13))
OR { 308}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HG13))
ASSI { 309}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1929 and name HG2%)
2.300 2.300 3.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.19953E-02 ppm1 2.097 ppm2 0.783 CV 1
OR { 309}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1929 and name HG2%)
ASSI { 310}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1929 and name HG1%)
2.500 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.91580E-02 ppm1 2.098 ppm2 0.885 CV 1
OR { 310}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1929 and name HG1%)
OR { 310}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1929 and name HG1%)
ASSI { 312}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1930 and name HG2%)
2.100 0.600 0.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.13079E-01 ppm1 2.098 ppm2 1.028 CV 1
OR { 312}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1930 and name HG2%)
OR { 312}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1930 and name HG2%)
ASSI { 313}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name HB3 ))
2.200 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.53563E-02 ppm1 2.099 ppm2 1.684 CV 1
OR { 313}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name HB3 ))
OR { 313}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 314}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 85 and name HB2 ))
2.200 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.47383E-02 ppm1 2.101 ppm2 2.469 CV 1
OR { 314}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 85 and name HB2 ))
OR { 314}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 85 and name HB2 ))
ASSI { 315}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 85 and name HG3 ))
2.200 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.76625E-02 ppm1 2.097 ppm2 2.659 CV 1
OR { 315}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 85 and name HG3 ))
OR { 315}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 85 and name HG3 ))
ASSI { 316}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 85 and name HG2 ))
2.900 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.70229E-02 ppm1 2.098 ppm2 2.914 CV 1
OR { 316}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 85 and name HG2 ))
OR { 316}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 85 and name HG2 ))
ASSI { 319}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 81 and name HB2 ))
2.900 2.900 3.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 2.099 ppm2 3.159 CV 1
ASSI { 321}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name HD2 ))
2.600 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.34181E-02 ppm1 2.098 ppm2 3.318 CV 1
OR { 321}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name HD3 ))
OR { 321}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1922 and name HD2 ))
OR { 321}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1922 and name HD3 ))
ASSI { 322}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name HA ))
2.300 0.700 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.55532E-02 ppm1 2.098 ppm2 3.686 CV 1
OR { 322}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name HA ))
OR { 322}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name HA ))
ASSI { 323}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1918 and name HA ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 2.097 ppm2 3.921 CV 1
OR { 323}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1918 and name HA ))
ASSI { 324}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1929 and name HA ))
2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.40619E-02 ppm1 2.098 ppm2 4.402 CV 1
OR { 324}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1929 and name HA ))
OR { 324}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1929 and name HA ))
ASSI { 325}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1930 and name HA ))
2.900 2.900 3.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.41598E-02 ppm1 2.098 ppm2 4.324 CV 1
OR { 325}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1930 and name HA ))
OR { 325}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1930 and name HA ))
ASSI { 326}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 85 and name HA ))
3.000 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.46928E-02 ppm1 2.098 ppm2 4.258 CV 1
ASSI { 327}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HA ))
2.600 2.600 3.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.10636E-02 ppm1 2.097 ppm2 5.316 CV 1
OR { 327}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HA ))
ASSI { 329}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name H ))
2.600 2.600 3.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.94766E-03 ppm1 2.098 ppm2 7.034 CV 1
OR { 329}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name H ))
OR { 329}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1928 and name H ))
ASSI { 330}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1928 and name HD% )
2.300 2.300 3.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10227E-01 ppm1 2.098 ppm2 7.302 CV 1
OR { 330}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1928 and name HD% )
OR { 330}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1928 and name HD% )
ASSI { 332}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HZ ))
3.100 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.26553E-02 ppm1 2.098 ppm2 7.203 CV 1
OR { 332}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 334}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name H ))
3.300 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 2.098 ppm2 7.685 CV 1
OR { 334}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1922 and name H ))
ASSI { 336}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 85 and name H ))
3.000 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.32296E-02 ppm1 2.098 ppm2 8.087 CV 1
ASSI { 337}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1930 and name H ))
2.900 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.22413E-02 ppm1 2.098 ppm2 8.002 CV 1
OR { 337}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1930 and name H ))
OR { 337}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1930 and name H ))
ASSI { 338}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 82 and name H ))
3.600 1.600 1.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.13586E-02 ppm1 2.098 ppm2 7.949 CV 1
OR { 338}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 82 and name H ))
OR { 338}
(( segid "B " and resid 85 and name HE1 ))
(( segid "B " and resid 82 and name H ))
ASSI { 339}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1929 and name H ))
2.400 2.400 3.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 2.097 ppm2 8.585 CV 1
OR { 339}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1929 and name H ))
OR { 339}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1929 and name H ))
ASSI { 340}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 86 and name H ))
2.400 2.400 3.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16495E-02 ppm1 2.097 ppm2 8.333 CV 1
OR { 340}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 86 and name H ))
ASSI { 341}
(( segid "A " and resid 84 and name HA ))
(( segid "A " and resid 84 and name HG3 ))
3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 4.059 ppm2 2.799 CV 1
ASSI { 342}
(( segid "A " and resid 84 and name HA ))
(( segid "A " and resid 84 and name HG2 ))
3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 4.060 ppm2 3.155 CV 1
ASSI { 346}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 84 and name HG3 ))
1.900 0.500 0.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.39796E-02 ppm1 3.150 ppm2 2.797 CV 1
ASSI { 347}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 84 and name HB2 ))
3.500 1.500 1.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.13170E-02 ppm1 3.153 ppm2 2.365 CV 1
ASSI { 348}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 84 and name HB3 ))
2.800 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 3.151 ppm2 2.295 CV 1
ASSI { 353}
(( segid "A " and resid 84 and name HG3 ))
(( segid "A " and resid 84 and name HB2 ))
2.800 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.14070E-02 ppm1 2.796 ppm2 2.363 CV 1
ASSI { 354}
(( segid "A " and resid 84 and name HG3 ))
(( segid "A " and resid 84 and name HB3 ))
3.600 1.600 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11976E-02 ppm1 2.793 ppm2 2.300 CV 1
ASSI { 356}
(( segid "A " and resid 84 and name HG2 ))
( segid "B " and resid 72 and name HD% )
3.300 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 3.148 ppm2 6.219 CV 1
ASSI { 357}
(( segid "A " and resid 84 and name HG3 ))
( segid "B " and resid 72 and name HD% )
3.200 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 2.793 ppm2 6.218 CV 1
ASSI { 358}
(( segid "A " and resid 84 and name HG2 ))
( segid "B " and resid 72 and name HE% )
4.000 2.000 2.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.77926E-03 ppm1 3.157 ppm2 7.000 CV 1
ASSI { 359}
(( segid "A " and resid 84 and name HG3 ))
( segid "B " and resid 72 and name HE% )
3.600 1.600 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.80874E-03 ppm1 2.801 ppm2 7.002 CV 1
ASSI { 360}
(( segid "A " and resid 84 and name HA ))
( segid "B " and resid 72 and name HD% )
3.600 1.600 1.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 4.052 ppm2 6.214 CV 1
ASSI { 361}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 85 and name H ))
5.000 3.200 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.51371E-03 ppm1 3.159 ppm2 7.646 CV 1
ASSI { 363}
(( segid "A " and resid 84 and name HG3 ))
(( segid "A " and resid 84 and name H ))
2.900 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 2.795 ppm2 8.923 CV 1
ASSI { 367}
(( segid "A " and resid 84 and name HG2 ))
( segid "C " and resid 1910 and name HE% )
5.300 3.400 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.61560E-03 ppm1 3.153 ppm2 2.016 CV 1
ASSI { 368}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 83 and name HB1 ))
5.100 3.300 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.50354E-03 ppm1 3.150 ppm2 1.738 CV 1
OR { 368}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 83 and name HB3 ))
OR { 368}
(( segid "A " and resid 84 and name HG2 ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 369}
(( segid "A " and resid 84 and name HG3 ))
( segid "C " and resid 1910 and name HE% )
4.400 2.400 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.58654E-03 ppm1 2.799 ppm2 2.023 CV 1
ASSI { 370}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 77 and name HG11))
3.700 1.700 1.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.38301E-02 ppm1 2.223 ppm2 1.161 CV 1
OR { 370}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 77 and name HG11))
OR { 370}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 77 and name HG12))
OR { 370}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 77 and name HG13))
OR { 370}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 77 and name HG12))
OR { 370}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 77 and name HG13))
OR { 370}
(( segid "A " and resid 84 and name HE2 ))
(( segid "B " and resid 77 and name HG11))
OR { 370}
(( segid "A " and resid 84 and name HE2 ))
(( segid "B " and resid 77 and name HG12))
ASSI { 371}
(( segid "A " and resid 84 and name HE3 ))
( segid "C " and resid 1906 and name HG2%)
2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.83712E-02 ppm1 2.223 ppm2 1.302 CV 1
OR { 371}
(( segid "A " and resid 84 and name HE2 ))
( segid "C " and resid 1906 and name HG2%)
OR { 371}
(( segid "A " and resid 84 and name HE1 ))
( segid "C " and resid 1906 and name HG2%)
ASSI { 372}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 84 and name HG3 ))
2.100 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.83647E-02 ppm1 2.222 ppm2 2.796 CV 1
OR { 372}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 84 and name HG3 ))
OR { 372}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 84 and name HG3 ))
ASSI { 373}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 84 and name HG2 ))
2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.73916E-02 ppm1 2.223 ppm2 3.152 CV 1
OR { 373}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 84 and name HG2 ))
OR { 373}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 84 and name HG2 ))
ASSI { 374}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 81 and name HB2 ))
3.300 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.33274E-02 ppm1 2.224 ppm2 3.305 CV 1
OR { 374}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 81 and name HB2 ))
OR { 374}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 81 and name HB2 ))
ASSI { 376}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 81 and name HG ))
2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.35699E-02 ppm1 2.221 ppm2 2.902 CV 1
OR { 376}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 81 and name HG ))
OR { 376}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 81 and name HG ))
ASSI { 377}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name HB3 ))
2.600 2.600 3.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10972E-01 ppm1 2.223 ppm2 2.561 CV 1
OR { 377}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name HB3 ))
OR { 377}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 378}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 73 and name HA ))
2.400 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.75995E-02 ppm1 2.223 ppm2 3.956 CV 1
OR { 378}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 73 and name HA ))
OR { 378}
(( segid "A " and resid 84 and name HE2 ))
(( segid "B " and resid 73 and name HA ))
ASSI { 379}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 84 and name HA ))
3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.34553E-02 ppm1 2.222 ppm2 4.058 CV 1
OR { 379}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 84 and name HA ))
OR { 379}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 84 and name HA ))
ASSI { 380}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 81 and name HA ))
1.700 0.300 0.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.16248E-01 ppm1 2.223 ppm2 4.243 CV 1
OR { 380}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 81 and name HA ))
OR { 380}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 81 and name HA ))
ASSI { 381}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1906 and name HB ))
2.700 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 2.224 ppm2 4.601 CV 1
OR { 381}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1906 and name HB ))
OR { 381}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1906 and name HB ))
ASSI { 384}
(( segid "A " and resid 84 and name HE1 ))
( segid "B " and resid 72 and name HD% )
3.500 1.500 1.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 2.223 ppm2 6.217 CV 1
OR { 384}
(( segid "A " and resid 84 and name HE2 ))
( segid "B " and resid 72 and name HD% )
OR { 384}
(( segid "A " and resid 84 and name HE3 ))
( segid "B " and resid 72 and name HD% )
ASSI { 385}
(( segid "A " and resid 84 and name HE1 ))
( segid "B " and resid 72 and name HE% )
3.900 1.900 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.18715E-02 ppm1 2.222 ppm2 7.006 CV 1
OR { 385}
(( segid "A " and resid 84 and name HE2 ))
( segid "B " and resid 72 and name HE% )
OR { 385}
(( segid "A " and resid 84 and name HE3 ))
( segid "B " and resid 72 and name HE% )
ASSI { 387}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 73 and name HE22))
4.000 2.000 2.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.27637E-02 ppm1 2.223 ppm2 6.788 CV 1
OR { 387}
(( segid "A " and resid 84 and name HE2 ))
(( segid "B " and resid 73 and name HE22))
OR { 387}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 73 and name HE22))
ASSI { 388}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 85 and name H ))
2.700 2.700 3.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.46647E-02 ppm1 2.222 ppm2 7.648 CV 1
ASSI { 391}
(( segid "A " and resid 84 and name HE1 ))
(( segid "B " and resid 76 and name H ))
4.500 2.600 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.88177E-03 ppm1 2.219 ppm2 8.350 CV 1
OR { 391}
(( segid "A " and resid 84 and name HE3 ))
(( segid "B " and resid 76 and name H ))
OR { 391}
(( segid "A " and resid 84 and name HE2 ))
(( segid "B " and resid 76 and name H ))
ASSI { 393}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name H ))
4.400 2.400 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.72918E-03 ppm1 2.223 ppm2 8.143 CV 1
OR { 393}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name H ))
OR { 393}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name H ))
ASSI { 394}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 81 and name H ))
3.600 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.23237E-02 ppm1 2.222 ppm2 8.588 CV 1
OR { 394}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 81 and name H ))
OR { 394}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 81 and name H ))
ASSI { 395}
(( segid "A " and resid 84 and name HE1 ))
(( segid "A " and resid 84 and name H ))
2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.55988E-02 ppm1 2.223 ppm2 8.919 CV 1
OR { 395}
(( segid "A " and resid 84 and name HE2 ))
(( segid "A " and resid 84 and name H ))
OR { 395}
(( segid "A " and resid 84 and name HE3 ))
(( segid "A " and resid 84 and name H ))
ASSI { 397}
(( segid "B " and resid 84 and name HG2 ))
(( segid "B " and resid 84 and name H ))
3.900 1.900 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 3.162 ppm2 8.694 CV 1
ASSI { 401}
(( segid "B " and resid 84 and name HB2 ))
(( segid "B " and resid 84 and name H ))
2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14690E-02 ppm1 2.410 ppm2 8.699 CV 1
ASSI { 402}
(( segid "B " and resid 84 and name HB3 ))
(( segid "B " and resid 84 and name H ))
2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 2.383 ppm2 8.692 CV 1
ASSI { 404}
(( segid "B " and resid 84 and name HB3 ))
(( segid "B " and resid 84 and name HG2 ))
3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.66306E-03 ppm1 2.369 ppm2 3.158 CV 1
ASSI { 405}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 84 and name HG3 ))
3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 4.097 ppm2 2.823 CV 1
ASSI { 406}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 84 and name HG2 ))
3.400 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 4.094 ppm2 3.158 CV 1
ASSI { 408}
(( segid "B " and resid 84 and name HG2 ))
(( segid "B " and resid 84 and name HB2 ))
3.300 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.15110E-02 ppm1 3.162 ppm2 2.393 CV 1
ASSI { 409}
(( segid "B " and resid 84 and name HG2 ))
(( segid "B " and resid 84 and name HG3 ))
2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.24321E-02 ppm1 3.167 ppm2 2.830 CV 1
ASSI { 414}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HG3 ))
1.700 0.300 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.62968E-02 ppm1 2.839 ppm2 2.384 CV 1
ASSI { 415}
(( segid "B " and resid 84 and name HG2 ))
( segid "A " and resid 72 and name HD% )
4.400 2.400 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 3.168 ppm2 6.173 CV 1
ASSI { 416}
(( segid "B " and resid 84 and name HG2 ))
( segid "A " and resid 72 and name HE% )
4.400 2.500 1.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.62881E-03 ppm1 3.169 ppm2 7.002 CV 1
ASSI { 417}
(( segid "B " and resid 84 and name HG3 ))
( segid "A " and resid 72 and name HE% )
3.600 1.600 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.69083E-03 ppm1 2.826 ppm2 7.004 CV 1
ASSI { 418}
(( segid "B " and resid 84 and name HG3 ))
( segid "A " and resid 72 and name HD% )
3.100 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 2.829 ppm2 6.166 CV 1
ASSI { 419}
(( segid "B " and resid 84 and name HA ))
( segid "A " and resid 72 and name HD% )
3.900 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 4.092 ppm2 6.171 CV 1
ASSI { 420}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 85 and name H ))
3.800 1.800 1.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.38582E-03 ppm1 4.095 ppm2 8.085 CV 1
ASSI { 421}
(( segid "B " and resid 84 and name HA ))
( segid "A " and resid 72 and name HE% )
2.800 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 4.094 ppm2 7.007 CV 1
ASSI { 422}
(( segid "B " and resid 84 and name HA ))
(( segid "A " and resid 72 and name HZ ))
3.000 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.87702E-03 ppm1 4.091 ppm2 6.922 CV 1
ASSI { 423}
(( segid "B " and resid 84 and name HE3 ))
( segid "C " and resid 1914 and name HG2%)
1.500 0.300 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.33578E-01 ppm1 2.144 ppm2 0.984 CV 1
OR { 423}
(( segid "B " and resid 84 and name HE1 ))
( segid "C " and resid 1914 and name HG2%)
OR { 423}
(( segid "B " and resid 84 and name HE2 ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 424}
(( segid "B " and resid 84 and name HE3 ))
( segid "C " and resid 1914 and name HG1%)
1.900 0.400 0.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.55988E-02 ppm1 2.144 ppm2 1.168 CV 1
OR { 424}
(( segid "B " and resid 84 and name HE1 ))
( segid "C " and resid 1914 and name HG1%)
OR { 424}
(( segid "B " and resid 84 and name HE2 ))
( segid "C " and resid 1914 and name HG1%)
ASSI { 425}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HG3 ))
2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10927E-01 ppm1 2.145 ppm2 1.542 CV 1
OR { 425}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HG2 ))
OR { 425}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HG3 ))
OR { 425}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HG3 ))
ASSI { 426}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HD2 ))
1.800 0.400 0.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.88416E-02 ppm1 2.144 ppm2 1.674 CV 1
OR { 426}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HD2 ))
OR { 426}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HD2 ))
ASSI { 427}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HD3 ))
1.900 1.900 4.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.12438E-01 ppm1 2.143 ppm2 1.778 CV 1
OR { 427}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HD3 ))
OR { 427}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HD3 ))
ASSI { 428}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name HB3 ))
1.500 0.300 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.24125E-01 ppm1 2.145 ppm2 2.385 CV 1
OR { 428}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name HB3 ))
OR { 428}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name HB2 ))
OR { 428}
(( segid "B " and resid 84 and name HE3 ))
(( segid "B " and resid 84 and name HB3 ))
OR { 428}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name HB2 ))
ASSI { 429}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 85 and name HB2 ))
3.000 1.100 1.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.81003E-02 ppm1 2.144 ppm2 2.458 CV 1
OR { 429}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 85 and name HB2 ))
ASSI { 431}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name HG3 ))
2.900 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.72679E-02 ppm1 2.144 ppm2 2.832 CV 1
OR { 431}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name HG3 ))
OR { 431}
(( segid "B " and resid 84 and name HE3 ))
(( segid "B " and resid 84 and name HG3 ))
ASSI { 432}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 85 and name HG2 ))
4.700 2.800 1.300 peak 432 spectrum 1 weight 0.10000E+01 volume 0.12442E-02 ppm1 2.142 ppm2 2.922 CV 1
OR { 432}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 85 and name HG2 ))
ASSI { 433}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HE2 ))
2.800 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.84451E-02 ppm1 2.144 ppm2 3.049 CV 1
OR { 433}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HE3 ))
ASSI { 434}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name HG2 ))
2.300 0.600 0.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.75521E-02 ppm1 2.144 ppm2 3.163 CV 1
OR { 434}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name HG2 ))
OR { 434}
(( segid "B " and resid 84 and name HE3 ))
(( segid "B " and resid 84 and name HG2 ))
ASSI { 435}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 80 and name HB3 ))
3.400 1.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.16370E-02 ppm1 2.144 ppm2 3.414 CV 1
OR { 435}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 80 and name HB3 ))
ASSI { 436}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1914 and name HA ))
3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.19792E-02 ppm1 2.145 ppm2 3.598 CV 1
OR { 436}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1914 and name HA ))
OR { 436}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1914 and name HA ))
ASSI { 438}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name HA ))
3.200 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.65309E-02 ppm1 2.144 ppm2 4.098 CV 1
OR { 438}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name HA ))
ASSI { 440}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 81 and name HA ))
1.900 0.500 0.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 2.144 ppm2 4.374 CV 1
OR { 440}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 81 and name HA ))
OR { 440}
(( segid "B " and resid 84 and name HE3 ))
(( segid "B " and resid 81 and name HA ))
ASSI { 441}
(( segid "B " and resid 84 and name HE1 ))
( segid "A " and resid 72 and name HD% )
3.600 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.22846E-02 ppm1 2.143 ppm2 6.167 CV 1
OR { 441}
(( segid "B " and resid 84 and name HE2 ))
( segid "A " and resid 72 and name HD% )
ASSI { 442}
(( segid "B " and resid 84 and name HE3 ))
(( segid "A " and resid 73 and name HE22))
3.200 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.14831E-02 ppm1 2.145 ppm2 6.788 CV 1
OR { 442}
(( segid "B " and resid 84 and name HE2 ))
(( segid "A " and resid 73 and name HE22))
OR { 442}
(( segid "B " and resid 84 and name HE1 ))
(( segid "A " and resid 73 and name HE22))
ASSI { 443}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 81 and name H ))
3.000 1.100 1.100 peak 443 spectrum 1 weight 0.10000E+01 volume 0.29826E-02 ppm1 2.144 ppm2 7.615 CV 1
OR { 443}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 81 and name H ))
ASSI { 444}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 85 and name H ))
3.300 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.20072E-02 ppm1 2.141 ppm2 8.092 CV 1
OR { 444}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 85 and name H ))
ASSI { 446}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1915 and name H ))
3.800 1.800 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.15843E-02 ppm1 2.143 ppm2 8.445 CV 1
OR { 446}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1915 and name H ))
OR { 446}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1915 and name H ))
ASSI { 447}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name H ))
3.100 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.20603E-02 ppm1 2.144 ppm2 8.908 CV 1
OR { 447}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name H ))
OR { 447}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name H ))
ASSI { 448}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 83 and name H ))
3.000 3.000 3.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25578E-02 ppm1 2.144 ppm2 8.813 CV 1
OR { 448}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 83 and name H ))
ASSI { 449}
(( segid "B " and resid 84 and name HE1 ))
(( segid "B " and resid 84 and name H ))
3.100 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 2.144 ppm2 8.695 CV 1
OR { 449}
(( segid "B " and resid 84 and name HE2 ))
(( segid "B " and resid 84 and name H ))
ASSI { 452}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 86 and name HB3 ))
2.900 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.99751E-03 ppm1 3.875 ppm2 3.080 CV 1
ASSI { 453}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 86 and name HB2 ))
3.500 1.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.11042E-02 ppm1 3.879 ppm2 3.239 CV 1
ASSI { 455}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 83 and name H ))
2.700 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20568E-02 ppm1 3.877 ppm2 8.963 CV 1
ASSI { 456}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 87 and name H ))
4.100 2.100 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.54170E-03 ppm1 3.875 ppm2 8.672 CV 1
ASSI { 458}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 83 and name H ))
2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.11076E-01 ppm1 1.747 ppm2 8.961 CV 1
OR { 458}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 83 and name H ))
OR { 458}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name H ))
ASSI { 459}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 84 and name H ))
2.200 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.69884E-02 ppm1 1.746 ppm2 8.927 CV 1
OR { 459}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 84 and name H ))
OR { 459}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 84 and name H ))
ASSI { 462}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 76 and name H ))
3.700 1.700 1.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.12416E-02 ppm1 1.744 ppm2 8.319 CV 1
OR { 462}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 76 and name H ))
OR { 462}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 76 and name H ))
ASSI { 468}
(( segid "A " and resid 83 and name HB1 ))
( segid "B " and resid 72 and name HD% )
4.000 2.000 2.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.12845E-02 ppm1 1.742 ppm2 6.201 CV 1
OR { 468}
(( segid "A " and resid 83 and name HB3 ))
( segid "B " and resid 72 and name HD% )
OR { 468}
(( segid "A " and resid 83 and name HB2 ))
( segid "B " and resid 72 and name HD% )
ASSI { 470}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 83 and name HA ))
2.000 0.500 0.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.15585E-01 ppm1 1.742 ppm2 3.951 CV 1
OR { 470}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 83 and name HA ))
OR { 470}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 83 and name HA ))
ASSI { 471}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 83 and name HA ))
2.000 0.500 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.14517E-01 ppm1 1.745 ppm2 3.880 CV 1
OR { 471}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 83 and name HA ))
OR { 471}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 83 and name HA ))
ASSI { 472}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 9 and name HA ))
2.600 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.27832E-02 ppm1 1.743 ppm2 4.258 CV 1
OR { 472}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 9 and name HA ))
OR { 472}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 9 and name HA ))
ASSI { 473}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 9 and name HA ))
3.500 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 1.746 ppm2 4.141 CV 1
OR { 473}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 9 and name HA ))
OR { 473}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 9 and name HA ))
ASSI { 480}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 12 and name HB2 ))
2.600 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 1.744 ppm2 2.575 CV 1
OR { 480}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 12 and name HB2 ))
OR { 480}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 482}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 12 and name HG2 ))
3.900 1.900 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.80244E-03 ppm1 1.748 ppm2 2.702 CV 1
OR { 482}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 12 and name HG2 ))
OR { 482}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 484}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 79 and name HD11))
3.500 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18047E-02 ppm1 1.744 ppm2 0.463 CV 1
OR { 484}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 79 and name HD11))
OR { 484}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 79 and name HD11))
OR { 484}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 79 and name HD12))
OR { 484}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 79 and name HD12))
OR { 484}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 79 and name HD12))
OR { 484}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 79 and name HD13))
OR { 484}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 79 and name HD13))
OR { 484}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 79 and name HD13))
OR { 484}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 79 and name HD23))
OR { 484}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 79 and name HD23))
OR { 484}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 79 and name HD23))
OR { 484}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 79 and name HD22))
ASSI { 485}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 82 and name HG23))
4.100 2.100 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 1.740 ppm2 0.255 CV 1
OR { 485}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 82 and name HG22))
OR { 485}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 82 and name HG21))
OR { 485}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 82 and name HG23))
OR { 485}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 82 and name HG22))
OR { 485}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 82 and name HG23))
OR { 485}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 82 and name HG22))
ASSI { 486}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 82 and name HG23))
4.100 2.100 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 1.748 ppm2 0.048 CV 1
OR { 486}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 82 and name HG23))
OR { 486}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 82 and name HG23))
OR { 486}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 82 and name HG22))
OR { 486}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 82 and name HG22))
OR { 486}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 82 and name HG22))
OR { 486}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 82 and name HG21))
ASSI { 488}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 9 and name HD12))
2.100 0.600 0.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.17137E-01 ppm1 1.743 ppm2 0.819 CV 1
OR { 488}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 9 and name HD11))
OR { 488}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 9 and name HD13))
OR { 488}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 9 and name HD12))
OR { 488}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 9 and name HD11))
OR { 488}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 9 and name HD12))
OR { 488}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 9 and name HD13))
OR { 488}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 9 and name HD11))
OR { 488}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 9 and name HD13))
ASSI { 492}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 83 and name H ))
2.000 0.500 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.11118E-01 ppm1 1.740 ppm2 8.819 CV 1
OR { 492}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 83 and name H ))
OR { 492}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 83 and name H ))
ASSI { 493}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 84 and name H ))
2.300 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.54557E-02 ppm1 1.740 ppm2 8.695 CV 1
OR { 493}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 84 and name H ))
OR { 493}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 84 and name H ))
ASSI { 494}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 82 and name H ))
4.100 2.100 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 1.739 ppm2 7.944 CV 1
OR { 494}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 82 and name H ))
OR { 494}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 82 and name H ))
ASSI { 495}
(( segid "B " and resid 83 and name HB2 ))
(( segid "B " and resid 85 and name H ))
4.500 2.500 1.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.68192E-03 ppm1 1.736 ppm2 8.088 CV 1
OR { 495}
(( segid "B " and resid 83 and name HB1 ))
(( segid "B " and resid 85 and name H ))
OR { 495}
(( segid "B " and resid 83 and name HB3 ))
(( segid "B " and resid 85 and name H ))
ASSI { 498}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 84 and name H ))
3.500 1.500 1.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.89827E-03 ppm1 3.874 ppm2 8.931 CV 1
ASSI { 500}
(( segid "B " and resid 83 and name HA ))
(( segid "B " and resid 86 and name HB2 ))
3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 3.950 ppm2 3.417 CV 1
ASSI { 501}
(( segid "B " and resid 83 and name HA ))
(( segid "B " and resid 86 and name HB3 ))
3.300 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.79812E-03 ppm1 3.949 ppm2 3.082 CV 1
ASSI { 504}
(( segid "B " and resid 83 and name HA ))
(( segid "A " and resid 9 and name HD12))
3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.16110E-02 ppm1 3.951 ppm2 0.819 CV 1
OR { 504}
(( segid "B " and resid 83 and name HA ))
(( segid "A " and resid 9 and name HD11))
OR { 504}
(( segid "B " and resid 83 and name HA ))
(( segid "A " and resid 9 and name HD13))
ASSI { 507}
(( segid "A " and resid 83 and name HA ))
(( segid "B " and resid 9 and name HD22))
5.000 3.100 1.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.45888E-03 ppm1 3.884 ppm2 0.676 CV 1
OR { 507}
(( segid "A " and resid 83 and name HA ))
(( segid "B " and resid 9 and name HD23))
OR { 507}
(( segid "A " and resid 83 and name HA ))
(( segid "B " and resid 9 and name HD21))
ASSI { 508}
(( segid "A " and resid 82 and name HA ))
(( segid "A " and resid 82 and name HG12))
2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.11269E-02 ppm1 3.493 ppm2 0.321 CV 1
ASSI { 511}
(( segid "A " and resid 82 and name HA ))
(( segid "A " and resid 82 and name HB ))
2.700 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.16734E-02 ppm1 3.501 ppm2 1.590 CV 1
ASSI { 512}
(( segid "A " and resid 82 and name HA ))
(( segid "A " and resid 82 and name HG13))
3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 3.495 ppm2 1.096 CV 1
ASSI { 515}
(( segid "A " and resid 82 and name HA ))
(( segid "A " and resid 85 and name HB3 ))
2.600 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.72266E-03 ppm1 3.494 ppm2 2.264 CV 1
ASSI { 520}
(( segid "A " and resid 82 and name HB ))
(( segid "B " and resid 9 and name HD23))
4.300 2.300 1.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.81610E-03 ppm1 1.580 ppm2 0.673 CV 1
OR { 520}
(( segid "A " and resid 82 and name HB ))
(( segid "B " and resid 9 and name HD21))
OR { 520}
(( segid "A " and resid 82 and name HB ))
(( segid "B " and resid 9 and name HD22))
ASSI { 522}
(( segid "A " and resid 82 and name HB ))
(( segid "A " and resid 82 and name HG13))
2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.87809E-03 ppm1 1.584 ppm2 1.096 CV 1
ASSI { 525}
(( segid "A " and resid 82 and name HG12))
( segid "C " and resid 1900 and name HD1%)
2.900 1.000 1.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 0.325 ppm2 0.955 CV 1
ASSI { 527}
(( segid "A " and resid 82 and name HG12))
(( segid "A " and resid 82 and name HB ))
3.000 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 0.321 ppm2 1.581 CV 1
ASSI { 529}
(( segid "A " and resid 82 and name HG13))
(( segid "A " and resid 82 and name HG12))
1.800 0.400 0.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.28807E-02 ppm1 1.105 ppm2 0.328 CV 1
ASSI { 530}
(( segid "A " and resid 82 and name HG13))
( segid "C " and resid 1900 and name HD1%)
3.800 1.800 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.10101E-02 ppm1 1.107 ppm2 0.956 CV 1
ASSI { 532}
(( segid "A " and resid 82 and name HA ))
(( segid "A " and resid 85 and name HB2 ))
3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.83192E-03 ppm1 3.497 ppm2 2.586 CV 1
ASSI { 543}
(( segid "A " and resid 82 and name HG13))
(( segid "A " and resid 82 and name H ))
2.300 0.600 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 1.106 ppm2 7.806 CV 1
ASSI { 547}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HD13))
2.200 0.600 0.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.10214E-01 ppm1 0.050 ppm2 -0.109 CV 1
OR { 547}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HD11))
OR { 547}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HD12))
OR { 547}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HD13))
OR { 547}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HD11))
OR { 547}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HD12))
OR { 547}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name HD13))
ASSI { 548}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HG13))
2.900 1.000 1.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.47816E-02 ppm1 0.050 ppm2 1.100 CV 1
OR { 548}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HG13))
OR { 548}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name HG13))
ASSI { 549}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1900 and name HD1%)
2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.33339E-02 ppm1 0.050 ppm2 0.957 CV 1
OR { 549}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1900 and name HD1%)
OR { 549}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 550}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD11))
3.400 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.44610E-02 ppm1 0.050 ppm2 0.815 CV 1
OR { 550}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD12))
OR { 550}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD13))
OR { 550}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD11))
OR { 550}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD12))
OR { 550}
(( segid "A " and resid 82 and name HG21))
(( segid "B " and resid 9 and name HD11))
OR { 550}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD13))
ASSI { 551}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD23))
2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.10587E-01 ppm1 0.050 ppm2 0.677 CV 1
OR { 551}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD21))
OR { 551}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HD22))
OR { 551}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD23))
OR { 551}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD22))
OR { 551}
(( segid "A " and resid 82 and name HG21))
(( segid "B " and resid 9 and name HD23))
OR { 551}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HD21))
ASSI { 553}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 79 and name HD22))
4.400 2.400 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 0.051 ppm2 0.437 CV 1
OR { 553}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 79 and name HD23))
OR { 553}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 79 and name HD21))
OR { 553}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 79 and name HD23))
OR { 553}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 79 and name HD22))
OR { 553}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 79 and name HD22))
OR { 553}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 79 and name HD23))
ASSI { 554}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HG12))
2.300 0.700 0.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.43829E-02 ppm1 0.049 ppm2 0.320 CV 1
OR { 554}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HG12))
OR { 554}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name HG12))
ASSI { 556}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HB ))
2.000 0.500 0.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.85836E-02 ppm1 0.050 ppm2 1.583 CV 1
OR { 556}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name HB ))
OR { 556}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HB ))
ASSI { 557}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 85 and name HE3 ))
2.100 0.500 0.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.74956E-02 ppm1 0.050 ppm2 2.184 CV 1
OR { 557}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 85 and name HE1 ))
OR { 557}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 85 and name HE2 ))
OR { 557}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 85 and name HE3 ))
OR { 557}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 85 and name HE1 ))
OR { 557}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 85 and name HE1 ))
OR { 557}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 85 and name HE3 ))
ASSI { 558}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 9 and name HG ))
2.600 0.800 0.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.71746E-03 ppm1 0.050 ppm2 1.912 CV 1
OR { 558}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 9 and name HG ))
OR { 558}
(( segid "A " and resid 82 and name HG21))
(( segid "B " and resid 9 and name HG ))
ASSI { 559}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 83 and name HB3 ))
4.100 2.100 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 0.050 ppm2 1.749 CV 1
OR { 559}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 83 and name HB2 ))
OR { 559}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 83 and name HB1 ))
OR { 559}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 83 and name HB3 ))
OR { 559}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 83 and name HB2 ))
OR { 559}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 83 and name HB1 ))
OR { 559}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 83 and name HB3 ))
OR { 559}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 561}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 79 and name HD23))
2.300 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.71314E-02 ppm1 -0.106 ppm2 0.439 CV 1
OR { 561}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 79 and name HD23))
OR { 561}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 79 and name HD22))
OR { 561}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 79 and name HD23))
OR { 561}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 79 and name HD22))
OR { 561}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 79 and name HD22))
OR { 561}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 79 and name HD21))
ASSI { 562}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 82 and name HG12))
2.100 0.500 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.74110E-02 ppm1 -0.106 ppm2 0.320 CV 1
OR { 562}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 82 and name HG12))
OR { 562}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 82 and name HG12))
ASSI { 563}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 82 and name HG13))
1.900 0.500 0.500 peak 563 spectrum 1 weight 0.10000E+01 volume 0.11133E-01 ppm1 -0.107 ppm2 1.097 CV 1
OR { 563}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 82 and name HG13))
OR { 563}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 82 and name HG13))
ASSI { 564}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1900 and name HD1%)
2.300 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.79595E-02 ppm1 -0.106 ppm2 0.956 CV 1
OR { 564}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1900 and name HD1%)
OR { 564}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1900 and name HD1%)
ASSI { 566}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 9 and name HD11))
3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 -0.105 ppm2 0.811 CV 1
OR { 566}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 9 and name HD11))
OR { 566}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 9 and name HD13))
OR { 566}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 9 and name HD13))
OR { 566}
(( segid "A " and resid 82 and name HD11))
(( segid "B " and resid 9 and name HD11))
OR { 566}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 9 and name HD12))
OR { 566}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 9 and name HD12))
OR { 566}
(( segid "A " and resid 82 and name HD11))
(( segid "B " and resid 9 and name HD13))
ASSI { 567}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD21))
2.100 0.500 0.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10786E-01 ppm1 -0.107 ppm2 0.697 CV 1
OR { 567}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD22))
OR { 567}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD21))
OR { 567}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HD21))
OR { 567}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD22))
OR { 567}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HD22))
OR { 567}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD23))
OR { 567}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD23))
ASSI { 568}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 82 and name HB ))
2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.67042E-02 ppm1 -0.107 ppm2 1.584 CV 1
OR { 568}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 82 and name HB ))
OR { 568}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 82 and name HB ))
ASSI { 569}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1904 and name HG2%)
3.600 1.600 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 -0.107 ppm2 1.487 CV 1
OR { 569}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1904 and name HG2%)
OR { 569}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1904 and name HG2%)
ASSI { 570}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 9 and name HG ))
2.700 0.900 0.900 peak 570 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 -0.107 ppm2 1.913 CV 1
OR { 570}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 9 and name HG ))
OR { 570}
(( segid "A " and resid 82 and name HD11))
(( segid "B " and resid 9 and name HG ))
ASSI { 573}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 85 and name HB2 ))
4.500 2.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 0.049 ppm2 2.579 CV 1
OR { 573}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 85 and name HB2 ))
OR { 573}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 85 and name HB2 ))
ASSI { 574}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name HA ))
2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.58244E-02 ppm1 0.050 ppm2 3.497 CV 1
OR { 574}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name HA ))
OR { 574}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name HA ))
ASSI { 575}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 79 and name HA ))
4.400 2.400 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.14536E-02 ppm1 0.052 ppm2 3.323 CV 1
OR { 575}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 79 and name HA ))
OR { 575}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 79 and name HA ))
ASSI { 576}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 83 and name HA ))
3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.97130E-03 ppm1 0.051 ppm2 3.876 CV 1
OR { 576}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 83 and name HA ))
OR { 576}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 83 and name HA ))
ASSI { 577}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 79 and name HA ))
2.600 0.800 0.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.39276E-02 ppm1 -0.106 ppm2 3.326 CV 1
OR { 577}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 79 and name HA ))
OR { 577}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 79 and name HA ))
ASSI { 578}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 82 and name HA ))
3.600 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 -0.106 ppm2 3.497 CV 1
OR { 578}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 82 and name HA ))
OR { 578}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 82 and name HA ))
ASSI { 579}
(( segid "A " and resid 82 and name HD11))
(( segid "C " and resid 1900 and name HA ))
4.600 2.700 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.87786E-03 ppm1 -0.106 ppm2 4.201 CV 1
OR { 579}
(( segid "A " and resid 82 and name HD13))
(( segid "C " and resid 1900 and name HA ))
OR { 579}
(( segid "A " and resid 82 and name HD12))
(( segid "C " and resid 1900 and name HA ))
ASSI { 580}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 83 and name H ))
3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 0.050 ppm2 8.965 CV 1
OR { 580}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 83 and name H ))
OR { 580}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 83 and name H ))
ASSI { 581}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 86 and name H ))
3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.78055E-03 ppm1 0.049 ppm2 8.441 CV 1
OR { 581}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 86 and name H ))
OR { 581}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 86 and name H ))
ASSI { 583}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 82 and name H ))
3.400 1.500 1.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.31690E-02 ppm1 0.050 ppm2 7.804 CV 1
OR { 583}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 82 and name H ))
OR { 583}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 82 and name H ))
ASSI { 584}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 85 and name H ))
4.400 2.400 1.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.66242E-03 ppm1 0.051 ppm2 7.638 CV 1
OR { 584}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 85 and name H ))
OR { 584}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 85 and name H ))
ASSI { 585}
(( segid "A " and resid 82 and name HG21))
( segid "A " and resid 45 and name HD% )
2.900 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17731E-02 ppm1 0.050 ppm2 7.194 CV 1
OR { 585}
(( segid "A " and resid 82 and name HG23))
( segid "A " and resid 45 and name HD% )
OR { 585}
(( segid "A " and resid 82 and name HG22))
( segid "A " and resid 45 and name HD% )
ASSI { 586}
(( segid "A " and resid 82 and name HG23))
( segid "A " and resid 45 and name HE% )
2.600 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.33597E-02 ppm1 0.050 ppm2 7.012 CV 1
OR { 586}
(( segid "A " and resid 82 and name HG22))
( segid "A " and resid 45 and name HE% )
OR { 586}
(( segid "A " and resid 82 and name HG21))
( segid "A " and resid 45 and name HE% )
ASSI { 588}
(( segid "A " and resid 82 and name HD13))
( segid "A " and resid 45 and name HD% )
3.800 1.800 1.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 -0.106 ppm2 7.195 CV 1
OR { 588}
(( segid "A " and resid 82 and name HD11))
( segid "A " and resid 45 and name HD% )
OR { 588}
(( segid "A " and resid 82 and name HD12))
( segid "A " and resid 45 and name HD% )
ASSI { 589}
(( segid "A " and resid 82 and name HD12))
( segid "A " and resid 78 and name HD% )
2.800 1.000 1.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 -0.107 ppm2 7.104 CV 1
OR { 589}
(( segid "A " and resid 82 and name HD11))
( segid "A " and resid 78 and name HD% )
ASSI { 590}
(( segid "A " and resid 82 and name HD11))
( segid "A " and resid 78 and name HE% )
2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.52152E-02 ppm1 -0.107 ppm2 7.031 CV 1
OR { 590}
(( segid "A " and resid 82 and name HD12))
( segid "A " and resid 78 and name HE% )
OR { 590}
(( segid "A " and resid 82 and name HD13))
( segid "A " and resid 78 and name HE% )
ASSI { 591}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 82 and name H ))
3.600 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.32732E-02 ppm1 -0.107 ppm2 7.806 CV 1
OR { 591}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 82 and name H ))
OR { 591}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 82 and name H ))
ASSI { 593}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 81 and name H ))
5.100 3.200 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.54625E-03 ppm1 -0.106 ppm2 8.585 CV 1
OR { 593}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 81 and name H ))
OR { 593}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 81 and name H ))
ASSI { 594}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 83 and name H ))
4.300 2.400 1.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 -0.105 ppm2 8.963 CV 1
OR { 594}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 83 and name H ))
OR { 594}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 83 and name H ))
ASSI { 601}
(( segid "B " and resid 82 and name HG12))
(( segid "B " and resid 82 and name H ))
2.600 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.14709E-02 ppm1 0.554 ppm2 7.939 CV 1
ASSI { 605}
(( segid "B " and resid 82 and name HB ))
(( segid "B " and resid 82 and name HA ))
3.300 1.300 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.81329E-03 ppm1 1.637 ppm2 3.684 CV 1
ASSI { 607}
(( segid "B " and resid 82 and name HA ))
(( segid "B " and resid 85 and name HB2 ))
3.600 1.600 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.81306E-03 ppm1 3.685 ppm2 2.470 CV 1
ASSI { 610}
(( segid "B " and resid 82 and name HG12))
(( segid "B " and resid 79 and name HA ))
3.800 1.800 1.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.78620E-03 ppm1 0.553 ppm2 3.288 CV 1
ASSI { 611}
(( segid "B " and resid 82 and name HG13))
(( segid "B " and resid 82 and name HB ))
2.600 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 0.476 ppm2 1.652 CV 1
ASSI { 612}
(( segid "B " and resid 82 and name HG12))
(( segid "B " and resid 82 and name HB ))
2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.19218E-02 ppm1 0.551 ppm2 1.646 CV 1
ASSI { 617}
(( segid "B " and resid 82 and name HA ))
(( segid "B " and resid 82 and name HG12))
3.000 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.89197E-03 ppm1 3.682 ppm2 0.559 CV 1
ASSI { 618}
(( segid "B " and resid 82 and name HA ))
(( segid "B " and resid 82 and name HG13))
3.900 1.900 1.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 3.678 ppm2 0.473 CV 1
ASSI { 625}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 83 and name H ))
3.300 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.25448E-02 ppm1 0.256 ppm2 8.818 CV 1
OR { 625}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 83 and name H ))
OR { 625}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 83 and name H ))
ASSI { 626}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 84 and name H ))
4.900 3.000 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.42508E-03 ppm1 0.256 ppm2 8.703 CV 1
OR { 626}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 84 and name H ))
OR { 626}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 84 and name H ))
ASSI { 628}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 86 and name H ))
4.200 2.200 1.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.63404E-03 ppm1 0.254 ppm2 8.351 CV 1
OR { 628}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 86 and name H ))
OR { 628}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 86 and name H ))
ASSI { 629}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 85 and name H ))
4.400 2.400 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.51199E-03 ppm1 0.258 ppm2 8.087 CV 1
OR { 629}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 85 and name H ))
OR { 629}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 85 and name H ))
ASSI { 630}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name H ))
3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.31322E-02 ppm1 0.255 ppm2 7.941 CV 1
OR { 630}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name H ))
OR { 630}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name H ))
ASSI { 631}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 81 and name H ))
4.800 2.900 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.51674E-03 ppm1 0.254 ppm2 7.615 CV 1
OR { 631}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 81 and name H ))
OR { 631}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 81 and name H ))
ASSI { 632}
(( segid "B " and resid 82 and name HG22))
( segid "B " and resid 45 and name HD% )
2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.28114E-02 ppm1 0.255 ppm2 7.310 CV 1
OR { 632}
(( segid "B " and resid 82 and name HG21))
( segid "B " and resid 45 and name HD% )
OR { 632}
(( segid "B " and resid 82 and name HG23))
( segid "B " and resid 45 and name HD% )
ASSI { 633}
(( segid "B " and resid 82 and name HG21))
(( segid "C " and resid 1928 and name HZ ))
3.400 1.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.18576E-02 ppm1 0.255 ppm2 7.199 CV 1
OR { 633}
(( segid "B " and resid 82 and name HG22))
(( segid "C " and resid 1928 and name HZ ))
OR { 633}
(( segid "B " and resid 82 and name HG23))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 634}
(( segid "B " and resid 82 and name HG22))
( segid "B " and resid 45 and name HE% )
3.000 1.200 1.200 peak 634 spectrum 1 weight 0.10000E+01 volume 0.26488E-02 ppm1 0.255 ppm2 7.144 CV 1
OR { 634}
(( segid "B " and resid 82 and name HG23))
( segid "B " and resid 45 and name HE% )
OR { 634}
(( segid "B " and resid 82 and name HG21))
( segid "B " and resid 45 and name HE% )
ASSI { 635}
(( segid "B " and resid 82 and name HG21))
( segid "B " and resid 78 and name HD% )
4.500 2.500 1.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.65699E-03 ppm1 0.256 ppm2 7.018 CV 1
OR { 635}
(( segid "B " and resid 82 and name HG22))
( segid "B " and resid 78 and name HD% )
OR { 635}
(( segid "B " and resid 82 and name HG23))
( segid "B " and resid 78 and name HD% )
ASSI { 636}
(( segid "B " and resid 82 and name HG21))
( segid "B " and resid 78 and name HE% )
4.600 2.700 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.84125E-03 ppm1 0.254 ppm2 6.897 CV 1
OR { 636}
(( segid "B " and resid 82 and name HG22))
( segid "B " and resid 78 and name HE% )
OR { 636}
(( segid "B " and resid 82 and name HG23))
( segid "B " and resid 78 and name HE% )
ASSI { 637}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 83 and name H ))
4.100 2.100 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.11022E-02 ppm1 -0.163 ppm2 8.819 CV 1
OR { 637}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 83 and name H ))
ASSI { 641}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name H ))
3.700 1.700 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.28569E-02 ppm1 -0.163 ppm2 7.942 CV 1
OR { 641}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name H ))
OR { 641}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 82 and name H ))
ASSI { 644}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1928 and name HD% )
2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.43502E-02 ppm1 -0.163 ppm2 7.300 CV 1
OR { 644}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 644}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1928 and name HD% )
ASSI { 645}
(( segid "B " and resid 82 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
3.100 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.13175E-02 ppm1 -0.163 ppm2 7.202 CV 1
OR { 645}
(( segid "B " and resid 82 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
OR { 645}
(( segid "B " and resid 82 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 646}
(( segid "B " and resid 82 and name HD11))
( segid "B " and resid 45 and name HE% )
2.700 2.700 3.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.80593E-03 ppm1 -0.164 ppm2 7.139 CV 1
OR { 646}
(( segid "B " and resid 82 and name HD13))
( segid "B " and resid 45 and name HE% )
OR { 646}
(( segid "B " and resid 82 and name HD12))
( segid "B " and resid 45 and name HE% )
ASSI { 647}
(( segid "B " and resid 82 and name HD13))
( segid "B " and resid 78 and name HD% )
3.400 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.17750E-02 ppm1 -0.164 ppm2 7.010 CV 1
OR { 647}
(( segid "B " and resid 82 and name HD12))
( segid "B " and resid 78 and name HD% )
OR { 647}
(( segid "B " and resid 82 and name HD11))
( segid "B " and resid 78 and name HD% )
ASSI { 648}
(( segid "B " and resid 82 and name HD13))
( segid "B " and resid 78 and name HE% )
3.000 1.100 1.100 peak 648 spectrum 1 weight 0.10000E+01 volume 0.41681E-02 ppm1 -0.163 ppm2 6.893 CV 1
OR { 648}
(( segid "B " and resid 82 and name HD12))
( segid "B " and resid 78 and name HE% )
OR { 648}
(( segid "B " and resid 82 and name HD11))
( segid "B " and resid 78 and name HE% )
ASSI { 649}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 78 and name HZ ))
2.900 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 -0.163 ppm2 6.817 CV 1
OR { 649}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 78 and name HZ ))
OR { 649}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 78 and name HZ ))
ASSI { 651}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 83 and name HA ))
3.700 1.700 1.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.94072E-03 ppm1 0.252 ppm2 3.951 CV 1
OR { 651}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 83 and name HA ))
OR { 651}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 83 and name HA ))
ASSI { 652}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HA ))
2.400 0.700 0.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.53214E-02 ppm1 0.255 ppm2 3.684 CV 1
OR { 652}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HA ))
OR { 652}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HA ))
ASSI { 653}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 45 and name HB2 ))
4.000 2.000 2.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.65028E-03 ppm1 0.256 ppm2 3.418 CV 1
OR { 653}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 45 and name HB2 ))
OR { 653}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 654}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 79 and name HA ))
3.900 1.900 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15808E-02 ppm1 0.254 ppm2 3.289 CV 1
OR { 654}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 79 and name HA ))
OR { 654}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 79 and name HA ))
ASSI { 655}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 85 and name HB2 ))
4.400 2.500 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.73309E-03 ppm1 0.255 ppm2 2.464 CV 1
OR { 655}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 85 and name HB2 ))
OR { 655}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 85 and name HB2 ))
ASSI { 659}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 85 and name HE3 ))
3.500 1.600 1.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.15767E-02 ppm1 0.254 ppm2 2.096 CV 1
OR { 659}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 85 and name HE3 ))
OR { 659}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 85 and name HE3 ))
OR { 659}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 85 and name HE2 ))
OR { 659}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 85 and name HE2 ))
OR { 659}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 85 and name HE1 ))
OR { 659}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 85 and name HE1 ))
OR { 659}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 85 and name HE2 ))
ASSI { 660}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 12 and name HE2 ))
4.600 2.600 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.66719E-03 ppm1 0.252 ppm2 1.903 CV 1
OR { 660}
(( segid "B " and resid 82 and name HG23))
(( segid "A " and resid 12 and name HE2 ))
OR { 660}
(( segid "B " and resid 82 and name HG21))
(( segid "A " and resid 12 and name HE2 ))
OR { 660}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 12 and name HE1 ))
OR { 660}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 12 and name HE3 ))
OR { 660}
(( segid "B " and resid 82 and name HG23))
(( segid "A " and resid 12 and name HE1 ))
OR { 660}
(( segid "B " and resid 82 and name HG23))
(( segid "A " and resid 12 and name HE3 ))
OR { 660}
(( segid "B " and resid 82 and name HG21))
(( segid "A " and resid 12 and name HE1 ))
ASSI { 662}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HB ))
2.100 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.74087E-02 ppm1 0.255 ppm2 1.646 CV 1
OR { 662}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HB ))
OR { 662}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HB ))
ASSI { 663}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HD11))
2.200 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11341E-01 ppm1 0.255 ppm2 -0.164 CV 1
OR { 663}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HD11))
OR { 663}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HD11))
OR { 663}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HD12))
OR { 663}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HD13))
OR { 663}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HD13))
OR { 663}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HD12))
OR { 663}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HD12))
ASSI { 666}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HG12))
3.000 1.100 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.38237E-02 ppm1 0.254 ppm2 0.554 CV 1
OR { 666}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HG12))
OR { 666}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HG12))
ASSI { 667}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 82 and name HG13))
2.700 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.53301E-02 ppm1 0.254 ppm2 0.469 CV 1
OR { 667}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 82 and name HG13))
OR { 667}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 82 and name HG13))
ASSI { 670}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1929 and name HG1%)
3.800 1.900 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.66913E-03 ppm1 0.251 ppm2 0.897 CV 1
OR { 670}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1929 and name HG1%)
OR { 670}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1929 and name HG1%)
ASSI { 674}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 38 and name HD21))
2.600 0.800 0.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.34139E-02 ppm1 -0.163 ppm2 1.036 CV 1
OR { 674}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 38 and name HD21))
OR { 674}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 38 and name HD22))
OR { 674}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 38 and name HD22))
OR { 674}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 38 and name HD21))
OR { 674}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 38 and name HD23))
OR { 674}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 38 and name HD22))
OR { 674}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 38 and name HD23))
ASSI { 676}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD12))
2.200 2.200 3.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 -0.163 ppm2 0.785 CV 1
OR { 676}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD12))
OR { 676}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD13))
OR { 676}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD13))
OR { 676}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 42 and name HD12))
OR { 676}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD11))
OR { 676}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD11))
OR { 676}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 42 and name HD13))
ASSI { 677}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD21))
2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.71811E-02 ppm1 -0.163 ppm2 0.680 CV 1
OR { 677}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD21))
OR { 677}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD23))
OR { 677}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD23))
OR { 677}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 42 and name HD22))
OR { 677}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name HD22))
OR { 677}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 42 and name HD21))
OR { 677}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 42 and name HD23))
ASSI { 678}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name HG12))
2.200 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.71010E-02 ppm1 -0.163 ppm2 0.556 CV 1
OR { 678}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name HG12))
OR { 678}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 82 and name HG12))
ASSI { 679}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name HG13))
2.000 0.500 0.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.12501E-01 ppm1 -0.163 ppm2 0.467 CV 1
OR { 679}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 82 and name HG13))
OR { 679}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name HG13))
ASSI { 681}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 82 and name HB ))
3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.38734E-02 ppm1 -0.163 ppm2 1.646 CV 1
OR { 681}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name HB ))
OR { 681}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name HB ))
ASSI { 682}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 85 and name HE3 ))
2.900 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.28482E-02 ppm1 -0.163 ppm2 2.094 CV 1
OR { 682}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 85 and name HE3 ))
OR { 682}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 85 and name HE1 ))
OR { 682}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 85 and name HE2 ))
OR { 682}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 85 and name HE1 ))
OR { 682}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 85 and name HE2 ))
ASSI { 683}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 45 and name HB3 ))
3.300 1.300 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.93856E-03 ppm1 -0.162 ppm2 3.089 CV 1
OR { 683}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 45 and name HB3 ))
OR { 683}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 45 and name HB3 ))
ASSI { 684}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 45 and name HB2 ))
3.400 1.500 1.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.85968E-03 ppm1 -0.161 ppm2 3.413 CV 1
OR { 684}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 45 and name HB2 ))
OR { 684}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 685}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 79 and name HA ))
3.400 1.400 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 -0.163 ppm2 3.287 CV 1
OR { 685}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 79 and name HA ))
OR { 685}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 79 and name HA ))
ASSI { 686}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name HA ))
2.700 0.900 0.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.52152E-02 ppm1 -0.162 ppm2 3.685 CV 1
OR { 686}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 82 and name HA ))
OR { 686}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name HA ))
ASSI { 688}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 84 and name HB3 ))
4.900 3.000 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.97217E-03 ppm1 4.239 ppm2 2.313 CV 1
ASSI { 689}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 84 and name HB2 ))
3.300 1.400 1.400 peak 689 spectrum 1 weight 0.10000E+01 volume 0.94247E-03 ppm1 4.239 ppm2 2.361 CV 1
ASSI { 690}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HG ))
2.900 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 4.235 ppm2 2.905 CV 1
ASSI { 691}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HB3 ))
2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.19684E-02 ppm1 4.238 ppm2 2.786 CV 1
ASSI { 692}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HB2 ))
2.800 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.15108E-02 ppm1 4.239 ppm2 3.317 CV 1
ASSI { 693}
(( segid "A " and resid 81 and name HB2 ))
( segid "C " and resid 1904 and name HG2%)
3.200 1.300 1.300 peak 693 spectrum 1 weight 0.10000E+01 volume 0.86421E-03 ppm1 3.316 ppm2 1.485 CV 1
ASSI { 694}
(( segid "A " and resid 81 and name HB2 ))
( segid "C " and resid 1903 and name HB% )
4.800 2.900 1.200 peak 694 spectrum 1 weight 0.10000E+01 volume 0.44739E-03 ppm1 3.307 ppm2 1.604 CV 1
ASSI { 695}
(( segid "A " and resid 81 and name HB3 ))
( segid "C " and resid 1904 and name HG2%)
2.900 1.100 1.100 peak 695 spectrum 1 weight 0.10000E+01 volume 0.91993E-03 ppm1 2.790 ppm2 1.486 CV 1
ASSI { 697}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HB3 ))
2.200 0.600 0.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.13706E-02 ppm1 3.312 ppm2 2.788 CV 1
ASSI { 698}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HG ))
2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 3.315 ppm2 2.904 CV 1
ASSI { 699}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 81 and name HG ))
3.100 1.200 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 2.790 ppm2 2.903 CV 1
ASSI { 705}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 82 and name H ))
3.000 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.85730E-03 ppm1 4.241 ppm2 7.811 CV 1
ASSI { 708}
(( segid "B " and resid 81 and name HA ))
( segid "C " and resid 1914 and name HG2%)
3.300 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 4.374 ppm2 0.991 CV 1
ASSI { 710}
(( segid "B " and resid 81 and name HA ))
(( segid "B " and resid 84 and name HB3 ))
2.700 0.900 0.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.14570E-02 ppm1 4.371 ppm2 2.387 CV 1
OR { 710}
(( segid "B " and resid 81 and name HA ))
(( segid "B " and resid 84 and name HB2 ))
ASSI { 712}
(( segid "B " and resid 81 and name HA ))
(( segid "B " and resid 81 and name HB3 ))
2.600 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.19847E-02 ppm1 4.373 ppm2 2.575 CV 1
ASSI { 713}
(( segid "B " and resid 81 and name HA ))
(( segid "B " and resid 81 and name HB2 ))
2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 4.374 ppm2 3.159 CV 1
ASSI { 714}
(( segid "B " and resid 81 and name HB2 ))
(( segid "B " and resid 81 and name HB3 ))
1.900 0.500 0.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.37588E-02 ppm1 3.161 ppm2 2.571 CV 1
ASSI { 715}
(( segid "B " and resid 81 and name HB2 ))
( segid "C " and resid 1921 and name HD1%)
2.900 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.14946E-02 ppm1 3.164 ppm2 0.927 CV 1
ASSI { 716}
(( segid "B " and resid 81 and name HB2 ))
( segid "C " and resid 1917 and name HD1%)
3.200 1.300 1.300 peak 716 spectrum 1 weight 0.10000E+01 volume 0.83973E-03 ppm1 3.152 ppm2 1.183 CV 1
ASSI { 717}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1921 and name HD1%)
3.100 1.200 1.200 peak 717 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 2.579 ppm2 0.926 CV 1
ASSI { 718}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1917 and name HD1%)
3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.79311E-03 ppm1 2.575 ppm2 1.190 CV 1
ASSI { 725}
(( segid "B " and resid 81 and name HB3 ))
(( segid "B " and resid 81 and name H ))
3.000 1.100 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12836E-02 ppm1 2.565 ppm2 7.622 CV 1
ASSI { 729}
(( segid "B " and resid 81 and name HB3 ))
(( segid "B " and resid 82 and name H ))
3.500 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.56097E-03 ppm1 2.577 ppm2 7.950 CV 1
ASSI { 733}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 80 and name HB3 ))
2.500 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 3.960 ppm2 3.430 CV 1
ASSI { 734}
(( segid "A " and resid 80 and name HB2 ))
(( segid "A " and resid 80 and name HB3 ))
2.000 0.500 0.500 peak 734 spectrum 1 weight 0.10000E+01 volume 0.15136E-02 ppm1 4.261 ppm2 3.428 CV 1
ASSI { 741}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 83 and name HB3 ))
2.900 1.000 1.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 3.960 ppm2 1.747 CV 1
OR { 741}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 83 and name HB1 ))
OR { 741}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 742}
(( segid "A " and resid 80 and name HB3 ))
( segid "C " and resid 1910 and name HE% )
3.000 1.100 1.100 peak 742 spectrum 1 weight 0.10000E+01 volume 0.81329E-03 ppm1 3.436 ppm2 2.011 CV 1
ASSI { 745}
(( segid "B " and resid 80 and name HB2 ))
(( segid "A " and resid 76 and name HG ))
3.500 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.88329E-03 ppm1 4.316 ppm2 3.268 CV 1
ASSI { 747}
(( segid "B " and resid 80 and name HB3 ))
(( segid "A " and resid 76 and name HG ))
3.500 1.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 3.416 ppm2 3.290 CV 1
ASSI { 749}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 81 and name H ))
3.700 1.700 1.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.56833E-03 ppm1 3.883 ppm2 7.617 CV 1
ASSI { 751}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 80 and name HB2 ))
3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 3.883 ppm2 4.302 CV 1
ASSI { 752}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 80 and name HB3 ))
2.600 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 3.880 ppm2 3.421 CV 1
ASSI { 753}
(( segid "B " and resid 80 and name HA ))
(( segid "A " and resid 76 and name HG ))
3.500 1.500 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 3.880 ppm2 3.272 CV 1
ASSI { 754}
(( segid "B " and resid 80 and name HA ))
(( segid "A " and resid 76 and name HB2 ))
3.700 1.700 1.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.72809E-03 ppm1 3.880 ppm2 3.161 CV 1
ASSI { 755}
(( segid "B " and resid 80 and name HA ))
(( segid "A " and resid 76 and name HB3 ))
3.400 1.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.92577E-03 ppm1 3.880 ppm2 2.557 CV 1
ASSI { 757}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 83 and name HB2 ))
2.900 1.000 1.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 3.887 ppm2 1.739 CV 1
OR { 757}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 83 and name HB1 ))
OR { 757}
(( segid "B " and resid 80 and name HA ))
(( segid "B " and resid 83 and name HB3 ))
ASSI { 759}
(( segid "B " and resid 80 and name HB2 ))
( segid "C " and resid 1914 and name HG1%)
3.800 1.800 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.66242E-03 ppm1 4.312 ppm2 1.166 CV 1
ASSI { 760}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name H ))
2.700 0.900 0.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10875E-02 ppm1 3.324 ppm2 8.168 CV 1
ASSI { 761}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 82 and name H ))
3.900 1.900 1.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.68734E-03 ppm1 3.319 ppm2 7.805 CV 1
ASSI { 763}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 80 and name H ))
2.900 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.73351E-03 ppm1 1.641 ppm2 8.276 CV 1
ASSI { 764}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 80 and name H ))
3.500 1.500 1.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.55665E-03 ppm1 3.331 ppm2 8.287 CV 1
ASSI { 771}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HB3 ))
2.500 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 3.327 ppm2 1.030 CV 1
ASSI { 772}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 82 and name HG13))
2.000 0.500 0.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.95764E-03 ppm1 3.327 ppm2 1.083 CV 1
ASSI { 773}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HG ))
3.300 1.300 1.300 peak 773 spectrum 1 weight 0.10000E+01 volume 0.49617E-03 ppm1 3.327 ppm2 1.246 CV 1
ASSI { 774}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HB2 ))
2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.13108E-02 ppm1 3.329 ppm2 1.646 CV 1
ASSI { 776}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 82 and name HB ))
3.400 1.500 1.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 3.325 ppm2 1.594 CV 1
ASSI { 781}
(( segid "A " and resid 79 and name HB2 ))
(( segid "B " and resid 9 and name HD13))
4.600 2.700 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.51329E-03 ppm1 1.649 ppm2 0.810 CV 1
OR { 781}
(( segid "A " and resid 79 and name HB2 ))
(( segid "B " and resid 9 and name HD11))
OR { 781}
(( segid "A " and resid 79 and name HB2 ))
(( segid "B " and resid 9 and name HD12))
ASSI { 782}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 79 and name HB3 ))
2.000 0.500 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 1.645 ppm2 1.034 CV 1
ASSI { 783}
(( segid "A " and resid 79 and name HB2 ))
(( segid "A " and resid 79 and name HG ))
2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.76147E-03 ppm1 1.656 ppm2 1.261 CV 1
ASSI { 787}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 79 and name HG ))
3.400 1.400 1.400 peak 787 spectrum 1 weight 0.10000E+01 volume 0.67630E-03 ppm1 1.042 ppm2 1.250 CV 1
ASSI { 796}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 9 and name HD13))
3.300 1.400 1.400 peak 796 spectrum 1 weight 0.10000E+01 volume 0.26770E-02 ppm1 0.563 ppm2 0.817 CV 1
OR { 796}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 9 and name HD13))
OR { 796}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 9 and name HD13))
OR { 796}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 9 and name HD11))
OR { 796}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 9 and name HD12))
OR { 796}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 9 and name HD11))
OR { 796}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 9 and name HD11))
OR { 796}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 9 and name HD12))
OR { 796}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 9 and name HD12))
ASSI { 797}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 79 and name HB3 ))
2.400 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.46583E-02 ppm1 0.565 ppm2 1.040 CV 1
OR { 797}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 79 and name HB3 ))
OR { 797}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 79 and name HB3 ))
ASSI { 798}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 5 and name HD11))
2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.58047E-02 ppm1 0.567 ppm2 1.084 CV 1
OR { 798}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 5 and name HD11))
OR { 798}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 5 and name HD13))
OR { 798}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 5 and name HD13))
OR { 798}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 5 and name HD11))
OR { 798}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 5 and name HD12))
OR { 798}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 5 and name HD12))
OR { 798}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 5 and name HD13))
OR { 798}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 5 and name HD12))
ASSI { 799}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 79 and name HG ))
2.000 0.500 0.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.78966E-02 ppm1 0.566 ppm2 1.262 CV 1
OR { 799}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 79 and name HG ))
OR { 799}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 79 and name HG ))
ASSI { 800}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 79 and name HB2 ))
2.500 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.46754E-02 ppm1 0.566 ppm2 1.648 CV 1
OR { 800}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 79 and name HB2 ))
OR { 800}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 79 and name HB2 ))
ASSI { 801}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 8 and name HB2 ))
3.400 1.400 1.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.12715E-02 ppm1 0.565 ppm2 1.709 CV 1
OR { 801}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 8 and name HB1 ))
OR { 801}
(( segid "A " and resid 79 and name HD12))
(( segid "B " and resid 8 and name HB3 ))
OR { 801}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 8 and name HB1 ))
OR { 801}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 8 and name HB2 ))
OR { 801}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 8 and name HB2 ))
OR { 801}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 8 and name HB1 ))
OR { 801}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 8 and name HB3 ))
OR { 801}
(( segid "A " and resid 79 and name HD13))
(( segid "B " and resid 8 and name HB3 ))
ASSI { 804}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HB2 ))
4.400 2.400 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 0.566 ppm2 2.573 CV 1
OR { 804}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HB2 ))
OR { 804}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 805}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HG3 ))
3.100 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 0.566 ppm2 2.384 CV 1
OR { 805}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HG3 ))
OR { 805}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HG3 ))
ASSI { 806}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HB3 ))
3.500 1.600 1.600 peak 806 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 0.566 ppm2 2.196 CV 1
OR { 806}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HB3 ))
OR { 806}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HB3 ))
ASSI { 807}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 79 and name HA ))
3.400 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22825E-02 ppm1 0.566 ppm2 3.324 CV 1
OR { 807}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 79 and name HA ))
OR { 807}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 79 and name HA ))
ASSI { 808}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 76 and name HA ))
3.200 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 0.566 ppm2 3.575 CV 1
OR { 808}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 76 and name HA ))
OR { 808}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 76 and name HA ))
ASSI { 809}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HA ))
3.000 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 0.566 ppm2 4.066 CV 1
OR { 809}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HA ))
OR { 809}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HA ))
ASSI { 810}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HD13))
2.000 0.500 0.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.14967E-01 ppm1 0.441 ppm2 0.564 CV 1
OR { 810}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HD12))
OR { 810}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HD11))
OR { 810}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HD12))
OR { 810}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HD13))
OR { 810}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HD11))
OR { 810}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HD12))
OR { 810}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HD13))
ASSI { 813}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD13))
2.300 0.600 0.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.74307E-02 ppm1 0.441 ppm2 0.814 CV 1
OR { 813}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD11))
OR { 813}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD12))
OR { 813}
(( segid "A " and resid 79 and name HD23))
(( segid "B " and resid 9 and name HD11))
OR { 813}
(( segid "A " and resid 79 and name HD23))
(( segid "B " and resid 9 and name HD13))
OR { 813}
(( segid "A " and resid 79 and name HD21))
(( segid "B " and resid 9 and name HD13))
OR { 813}
(( segid "A " and resid 79 and name HD21))
(( segid "B " and resid 9 and name HD11))
OR { 813}
(( segid "A " and resid 79 and name HD23))
(( segid "B " and resid 9 and name HD12))
ASSI { 815}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 82 and name HG13))
2.400 0.700 0.700 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12843E-01 ppm1 0.441 ppm2 1.077 CV 1
OR { 815}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 82 and name HG13))
OR { 815}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 82 and name HG13))
ASSI { 816}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HB3 ))
2.300 0.600 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.54732E-02 ppm1 0.440 ppm2 1.031 CV 1
OR { 816}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HB3 ))
OR { 816}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HB3 ))
ASSI { 817}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HG ))
1.900 0.500 0.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.81697E-02 ppm1 0.441 ppm2 1.263 CV 1
OR { 817}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HG ))
OR { 817}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HG ))
ASSI { 818}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HB2 ))
2.900 1.000 1.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.45759E-02 ppm1 0.441 ppm2 1.648 CV 1
OR { 818}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HB2 ))
OR { 818}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HB2 ))
ASSI { 819}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 82 and name HB ))
3.600 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.22370E-02 ppm1 0.441 ppm2 1.575 CV 1
OR { 819}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 82 and name HB ))
OR { 819}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 82 and name HB ))
ASSI { 822}
(( segid "A " and resid 79 and name HD21))
(( segid "B " and resid 5 and name HB2 ))
4.300 2.300 1.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.76667E-03 ppm1 0.441 ppm2 2.117 CV 1
OR { 822}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 5 and name HB2 ))
OR { 822}
(( segid "A " and resid 79 and name HD23))
(( segid "B " and resid 5 and name HB2 ))
ASSI { 824}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 12 and name HG2 ))
4.600 2.700 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.61712E-03 ppm1 0.444 ppm2 2.858 CV 1
OR { 824}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 12 and name HG2 ))
OR { 824}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 12 and name HG2 ))
ASSI { 826}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name HA ))
1.800 0.400 0.400 peak 826 spectrum 1 weight 0.10000E+01 volume 0.11724E-01 ppm1 0.441 ppm2 3.327 CV 1
OR { 826}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name HA ))
OR { 826}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name HA ))
ASSI { 827}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 76 and name HA ))
4.100 2.100 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 0.443 ppm2 3.568 CV 1
OR { 827}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 76 and name HA ))
OR { 827}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 76 and name HA ))
ASSI { 830}
(( segid "A " and resid 79 and name HD13))
( segid "A " and resid 78 and name HD% )
4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.84732E-03 ppm1 0.567 ppm2 7.110 CV 1
OR { 830}
(( segid "A " and resid 79 and name HD11))
( segid "A " and resid 78 and name HD% )
OR { 830}
(( segid "A " and resid 79 and name HD12))
( segid "A " and resid 78 and name HD% )
ASSI { 831}
(( segid "A " and resid 79 and name HD13))
( segid "A " and resid 78 and name HE% )
4.000 2.000 2.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.77057E-03 ppm1 0.567 ppm2 7.011 CV 1
OR { 831}
(( segid "A " and resid 79 and name HD12))
( segid "A " and resid 78 and name HE% )
OR { 831}
(( segid "A " and resid 79 and name HD11))
( segid "A " and resid 78 and name HE% )
ASSI { 832}
(( segid "A " and resid 79 and name HD13))
( segid "A " and resid 75 and name HD% )
3.700 1.700 1.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.74781E-03 ppm1 0.564 ppm2 6.918 CV 1
OR { 832}
(( segid "A " and resid 79 and name HD11))
( segid "A " and resid 75 and name HD% )
OR { 832}
(( segid "A " and resid 79 and name HD12))
( segid "A " and resid 75 and name HD% )
ASSI { 833}
(( segid "A " and resid 79 and name HD13))
( segid "A " and resid 75 and name HE% )
3.000 1.100 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.18424E-02 ppm1 0.565 ppm2 6.700 CV 1
OR { 833}
(( segid "A " and resid 79 and name HD11))
( segid "A " and resid 75 and name HE% )
OR { 833}
(( segid "A " and resid 79 and name HD12))
( segid "A " and resid 75 and name HE% )
ASSI { 834}
(( segid "B " and resid 82 and name HG12))
(( segid "B " and resid 82 and name H ))
3.300 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.55642E-03 ppm1 0.561 ppm2 7.943 CV 1
OR { 834}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 82 and name H ))
OR { 834}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 82 and name H ))
ASSI { 836}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name H ))
4.500 2.500 1.500 peak 836 spectrum 1 weight 0.10000E+01 volume 0.74804E-03 ppm1 0.563 ppm2 8.809 CV 1
OR { 836}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name H ))
OR { 836}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name H ))
ASSI { 839}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 80 and name H ))
4.300 2.300 1.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 0.566 ppm2 8.275 CV 1
OR { 839}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 80 and name H ))
OR { 839}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 80 and name H ))
ASSI { 840}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 79 and name H ))
3.400 1.500 1.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.31799E-02 ppm1 0.566 ppm2 8.167 CV 1
OR { 840}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 79 and name H ))
OR { 840}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 79 and name H ))
ASSI { 841}
(( segid "A " and resid 79 and name HD23))
( segid "A " and resid 78 and name HD% )
2.900 1.000 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 0.440 ppm2 7.113 CV 1
OR { 841}
(( segid "A " and resid 79 and name HD21))
( segid "A " and resid 78 and name HD% )
OR { 841}
(( segid "A " and resid 79 and name HD22))
( segid "A " and resid 78 and name HD% )
ASSI { 842}
(( segid "A " and resid 79 and name HD23))
( segid "A " and resid 78 and name HE% )
2.600 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 0.441 ppm2 7.029 CV 1
OR { 842}
(( segid "A " and resid 79 and name HD21))
( segid "A " and resid 78 and name HE% )
OR { 842}
(( segid "A " and resid 79 and name HD22))
( segid "A " and resid 78 and name HE% )
ASSI { 843}
(( segid "A " and resid 79 and name HD23))
( segid "A " and resid 75 and name HD% )
2.700 2.700 3.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.82714E-03 ppm1 0.440 ppm2 6.924 CV 1
OR { 843}
(( segid "A " and resid 79 and name HD21))
( segid "A " and resid 75 and name HD% )
OR { 843}
(( segid "A " and resid 79 and name HD22))
( segid "A " and resid 75 and name HD% )
ASSI { 844}
(( segid "A " and resid 79 and name HD21))
( segid "A " and resid 75 and name HE% )
3.000 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.19218E-02 ppm1 0.441 ppm2 6.708 CV 1
OR { 844}
(( segid "A " and resid 79 and name HD23))
( segid "A " and resid 75 and name HE% )
OR { 844}
(( segid "A " and resid 79 and name HD22))
( segid "A " and resid 75 and name HE% )
ASSI { 845}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 82 and name H ))
4.700 2.800 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 0.440 ppm2 7.803 CV 1
OR { 845}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 82 and name H ))
OR { 845}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 82 and name H ))
ASSI { 846}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 80 and name H ))
4.200 2.200 1.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12951E-02 ppm1 0.440 ppm2 8.275 CV 1
OR { 846}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 80 and name H ))
OR { 846}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 80 and name H ))
ASSI { 847}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 79 and name H ))
3.000 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.39276E-02 ppm1 0.441 ppm2 8.167 CV 1
OR { 847}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 79 and name H ))
OR { 847}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 79 and name H ))
ASSI { 848}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 83 and name H ))
4.900 3.000 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.68582E-03 ppm1 0.442 ppm2 8.965 CV 1
OR { 848}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 83 and name H ))
OR { 848}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 83 and name H ))
ASSI { 850}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HD21))
2.800 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.48403E-02 ppm1 3.290 ppm2 0.462 CV 1
OR { 850}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HD22))
OR { 850}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HD23))
OR { 850}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HD13))
OR { 850}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HD11))
ASSI { 853}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HB3 ))
2.700 0.900 0.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.16342E-02 ppm1 3.282 ppm2 1.013 CV 1
ASSI { 854}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HG ))
2.900 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.78856E-03 ppm1 3.289 ppm2 1.219 CV 1
ASSI { 856}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 82 and name HB ))
2.900 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12966E-02 ppm1 3.287 ppm2 1.643 CV 1
ASSI { 857}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HD11))
2.600 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.28135E-02 ppm1 1.430 ppm2 0.467 CV 1
OR { 857}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HD13))
OR { 857}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HD12))
OR { 857}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HD23))
OR { 857}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HD21))
ASSI { 858}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HB3 ))
1.800 0.400 0.400 peak 858 spectrum 1 weight 0.10000E+01 volume 0.30173E-02 ppm1 1.435 ppm2 1.007 CV 1
ASSI { 859}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HG ))
2.800 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.13552E-02 ppm1 1.437 ppm2 1.212 CV 1
ASSI { 861}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 79 and name HA ))
3.100 1.200 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.11232E-02 ppm1 1.433 ppm2 3.287 CV 1
ASSI { 863}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HD21))
2.400 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.35244E-02 ppm1 1.012 ppm2 0.467 CV 1
OR { 863}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HD23))
OR { 863}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HD11))
OR { 863}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HD22))
OR { 863}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HD13))
ASSI { 864}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 9 and name HD13))
3.500 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 1.006 ppm2 0.816 CV 1
OR { 864}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 9 and name HD11))
OR { 864}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 9 and name HD12))
ASSI { 865}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 79 and name HG ))
2.900 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 1.011 ppm2 1.218 CV 1
ASSI { 870}
(( segid "B " and resid 79 and name HG ))
(( segid "B " and resid 79 and name HD22))
2.200 0.600 0.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.43047E-02 ppm1 1.223 ppm2 0.466 CV 1
OR { 870}
(( segid "B " and resid 79 and name HG ))
(( segid "B " and resid 79 and name HD13))
OR { 870}
(( segid "B " and resid 79 and name HG ))
(( segid "B " and resid 79 and name HD21))
OR { 870}
(( segid "B " and resid 79 and name HG ))
(( segid "B " and resid 79 and name HD12))
OR { 870}
(( segid "B " and resid 79 and name HG ))
(( segid "B " and resid 79 and name HD11))
ASSI { 879}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 80 and name H ))
3.600 1.600 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.60540E-03 ppm1 1.015 ppm2 8.238 CV 1
ASSI { 881}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 83 and name H ))
2.300 2.300 3.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 0.472 ppm2 8.987 CV 1
OR { 881}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 83 and name H ))
OR { 881}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 83 and name H ))
ASSI { 882}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name H ))
5.100 3.200 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.56530E-03 ppm1 0.471 ppm2 8.677 CV 1
OR { 882}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name H ))
OR { 882}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name H ))
ASSI { 883}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 79 and name H ))
3.300 1.300 1.300 peak 883 spectrum 1 weight 0.10000E+01 volume 0.21351E-02 ppm1 0.472 ppm2 8.581 CV 1
OR { 883}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 79 and name H ))
OR { 883}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 79 and name H ))
ASSI { 884}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 76 and name H ))
4.100 2.100 1.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.59436E-03 ppm1 0.471 ppm2 8.326 CV 1
OR { 884}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 76 and name H ))
OR { 884}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 76 and name H ))
ASSI { 885}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 80 and name H ))
2.700 2.700 3.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.83757E-03 ppm1 0.472 ppm2 8.240 CV 1
OR { 885}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 80 and name H ))
OR { 885}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 80 and name H ))
ASSI { 886}
(( segid "B " and resid 79 and name HD13))
( segid "B " and resid 78 and name HD% )
3.200 1.300 1.300 peak 886 spectrum 1 weight 0.10000E+01 volume 0.13671E-02 ppm1 0.471 ppm2 7.006 CV 1
OR { 886}
(( segid "B " and resid 79 and name HD12))
( segid "B " and resid 78 and name HD% )
OR { 886}
(( segid "B " and resid 79 and name HD11))
( segid "B " and resid 78 and name HD% )
ASSI { 887}
(( segid "B " and resid 79 and name HD13))
( segid "B " and resid 75 and name HD% )
3.200 1.300 1.300 peak 887 spectrum 1 weight 0.10000E+01 volume 0.96371E-03 ppm1 0.472 ppm2 6.904 CV 1
OR { 887}
(( segid "B " and resid 79 and name HD12))
( segid "B " and resid 75 and name HD% )
OR { 887}
(( segid "B " and resid 79 and name HD11))
( segid "B " and resid 75 and name HD% )
ASSI { 888}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 82 and name H ))
4.000 2.000 2.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 0.462 ppm2 7.939 CV 1
OR { 888}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 82 and name H ))
ASSI { 889}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 80 and name H ))
3.600 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11915E-02 ppm1 0.463 ppm2 8.242 CV 1
ASSI { 890}
(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 83 and name H ))
2.600 2.600 3.400 peak 890 spectrum 1 weight 0.10000E+01 volume 0.90453E-03 ppm1 0.463 ppm2 8.987 CV 1
OR { 890}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 83 and name H ))
OR { 890}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 83 and name H ))
ASSI { 891}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 83 and name H ))
4.300 2.300 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.76777E-03 ppm1 0.463 ppm2 8.821 CV 1
OR { 891}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 83 and name H ))
ASSI { 892}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 79 and name H ))
3.400 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.33946E-02 ppm1 0.462 ppm2 8.580 CV 1
OR { 892}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 79 and name H ))
ASSI { 893}
(( segid "B " and resid 79 and name HD12))
( segid "B " and resid 75 and name HE% )
2.700 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 0.472 ppm2 6.653 CV 1
OR { 893}
(( segid "B " and resid 79 and name HD13))
( segid "B " and resid 75 and name HE% )
OR { 893}
(( segid "B " and resid 79 and name HD11))
( segid "B " and resid 75 and name HE% )
ASSI { 894}
(( segid "B " and resid 79 and name HD22))
( segid "B " and resid 78 and name HD% )
3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.32861E-02 ppm1 0.462 ppm2 7.010 CV 1
OR { 894}
(( segid "B " and resid 79 and name HD21))
( segid "B " and resid 78 and name HD% )
ASSI { 895}
(( segid "B " and resid 79 and name HD22))
( segid "B " and resid 78 and name HE% )
2.900 1.000 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 0.463 ppm2 6.895 CV 1
OR { 895}
(( segid "B " and resid 79 and name HD21))
( segid "B " and resid 78 and name HE% )
ASSI { 896}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 78 and name HZ ))
4.000 2.000 2.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.70578E-03 ppm1 0.463 ppm2 6.827 CV 1
OR { 896}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 78 and name HZ ))
ASSI { 897}
(( segid "B " and resid 79 and name HD22))
( segid "B " and resid 75 and name HE% )
3.000 1.100 1.100 peak 897 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 0.463 ppm2 6.657 CV 1
ASSI { 899}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HA ))
3.200 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.14636E-02 ppm1 0.472 ppm2 4.051 CV 1
OR { 899}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HA ))
OR { 899}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HA ))
ASSI { 902}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 76 and name HA ))
2.700 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.18817E-02 ppm1 0.474 ppm2 3.559 CV 1
OR { 902}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 76 and name HA ))
OR { 902}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 76 and name HA ))
ASSI { 903}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 79 and name HA ))
3.700 1.700 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.23800E-02 ppm1 0.472 ppm2 3.285 CV 1
OR { 903}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 79 and name HA ))
OR { 903}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 79 and name HA ))
ASSI { 904}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HG2 ))
2.300 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.31257E-02 ppm1 0.473 ppm2 2.695 CV 1
OR { 904}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HG2 ))
OR { 904}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 905}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HB3 ))
2.800 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.59891E-02 ppm1 0.472 ppm2 2.398 CV 1
OR { 905}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HB3 ))
OR { 905}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HB3 ))
OR { 905}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HG3 ))
OR { 905}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HG3 ))
OR { 905}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HG3 ))
OR { 905}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 907}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 79 and name HB2 ))
2.200 0.600 0.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.48988E-02 ppm1 0.472 ppm2 1.433 CV 1
OR { 907}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 79 and name HB2 ))
OR { 907}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 79 and name HB2 ))
ASSI { 908}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 79 and name HG ))
2.100 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.68105E-02 ppm1 0.473 ppm2 1.217 CV 1
OR { 908}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 79 and name HG ))
OR { 908}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 79 and name HG ))
ASSI { 909}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 15 and name HG23))
2.800 2.800 3.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.66112E-03 ppm1 0.473 ppm2 1.504 CV 1
OR { 909}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 15 and name HG21))
OR { 909}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 15 and name HG22))
OR { 909}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 15 and name HG23))
OR { 909}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 15 and name HG21))
OR { 909}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 15 and name HG22))
OR { 909}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 15 and name HG23))
OR { 909}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 15 and name HG21))
OR { 909}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 15 and name HG22))
ASSI { 910}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 82 and name HB ))
4.300 2.400 1.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.60388E-03 ppm1 0.475 ppm2 1.643 CV 1
OR { 910}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 82 and name HB ))
OR { 910}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 82 and name HB ))
ASSI { 911}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 8 and name HB2 ))
4.100 2.100 1.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.91322E-03 ppm1 0.474 ppm2 1.683 CV 1
OR { 911}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 8 and name HB3 ))
OR { 911}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 8 and name HB1 ))
OR { 911}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 8 and name HB2 ))
OR { 911}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 8 and name HB1 ))
OR { 911}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 8 and name HB3 ))
OR { 911}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 8 and name HB1 ))
OR { 911}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 8 and name HB2 ))
ASSI { 913}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 9 and name HD13))
3.700 1.700 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.38107E-02 ppm1 0.473 ppm2 0.819 CV 1
OR { 913}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 9 and name HD13))
OR { 913}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 9 and name HD11))
OR { 913}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 9 and name HD11))
OR { 913}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 9 and name HD13))
OR { 913}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 9 and name HD11))
OR { 913}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 9 and name HD12))
OR { 913}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 9 and name HD12))
ASSI { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD23))
2.600 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11514E-01 ppm1 0.472 ppm2 1.043 CV 1
OR { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD21))
OR { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD11))
OR { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD22))
OR { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD13))
OR { 914}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 5 and name HD23))
OR { 914}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HD23))
OR { 914}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HD12))
OR { 914}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 5 and name HD11))
OR { 914}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HD11))
OR { 914}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 5 and name HD13))
OR { 914}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HD21))
OR { 914}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HD13))
OR { 914}
(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 5 and name HD12))
OR { 914}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HD12))
ASSI { 915}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 79 and name HB3 ))
2.700 0.900 0.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.58047E-02 ppm1 0.473 ppm2 1.004 CV 1
OR { 915}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 79 and name HB3 ))
OR { 915}
(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 79 and name HB3 ))
ASSI { 917}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 9 and name HD13))
2.200 0.600 0.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.65570E-02 ppm1 0.463 ppm2 0.817 CV 1
OR { 917}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 9 and name HD11))
OR { 917}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 9 and name HD12))
OR { 917}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HD13))
OR { 917}
(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 9 and name HD13))
OR { 917}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HD11))
OR { 917}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HD12))
ASSI { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD11))
2.000 0.500 0.500 peak 918 spectrum 1 weight 0.10000E+01 volume 0.14584E-01 ppm1 0.462 ppm2 1.041 CV 1
OR { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD13))
OR { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD12))
OR { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD23))
OR { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD21))
OR { 918}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 5 and name HD13))
OR { 918}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 5 and name HD11))
OR { 918}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HD22))
OR { 918}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 5 and name HD12))
OR { 918}
(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 5 and name HD13))
OR { 918}
(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 5 and name HD11))
OR { 918}
(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 5 and name HD12))
ASSI { 919}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 79 and name HG ))
1.900 0.500 0.500 peak 919 spectrum 1 weight 0.10000E+01 volume 0.92642E-02 ppm1 0.462 ppm2 1.216 CV 1
OR { 919}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 79 and name HG ))
OR { 919}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 79 and name HG ))
ASSI { 920}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 79 and name HB3 ))
2.000 0.500 0.500 peak 920 spectrum 1 weight 0.10000E+01 volume 0.64530E-02 ppm1 0.462 ppm2 1.005 CV 1
OR { 920}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 79 and name HB3 ))
OR { 920}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 79 and name HB3 ))
ASSI { 921}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 79 and name HB2 ))
2.900 1.000 1.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.42766E-02 ppm1 0.463 ppm2 1.431 CV 1
OR { 921}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 79 and name HB2 ))
OR { 921}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 79 and name HB2 ))
ASSI { 922}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 82 and name HB ))
3.200 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 0.463 ppm2 1.648 CV 1
OR { 922}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 82 and name HB ))
ASSI { 924}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HG ))
3.100 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 0.463 ppm2 1.806 CV 1
ASSI { 925}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 83 and name HB1 ))
3.800 1.800 1.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.89956E-03 ppm1 0.463 ppm2 1.733 CV 1
OR { 925}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 83 and name HB3 ))
OR { 925}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 83 and name HB2 ))
OR { 925}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 83 and name HB1 ))
OR { 925}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 83 and name HB3 ))
ASSI { 927}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HG3 ))
3.200 1.300 1.300 peak 927 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 0.464 ppm2 2.398 CV 1
OR { 927}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HG3 ))
OR { 927}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HB3 ))
OR { 927}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HG3 ))
OR { 927}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HB2 ))
OR { 927}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 928}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HG2 ))
2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.11557E-02 ppm1 0.463 ppm2 2.694 CV 1
OR { 928}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HG2 ))
OR { 928}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 929}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HA ))
3.900 1.900 1.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.72570E-03 ppm1 0.463 ppm2 4.055 CV 1
OR { 929}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HA ))
OR { 929}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HA ))
ASSI { 930}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 79 and name HA ))
2.300 0.700 0.700 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10506E-01 ppm1 0.462 ppm2 3.288 CV 1
OR { 930}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 79 and name HA ))
OR { 930}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 79 and name HA ))
ASSI { 931}
(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 76 and name HA ))
4.800 2.800 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.78097E-03 ppm1 0.460 ppm2 3.561 CV 1
OR { 931}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 76 and name HA ))
OR { 931}
(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 76 and name HA ))
ASSI { 934}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 62 and name HD12))
3.300 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.16886E-02 ppm1 4.277 ppm2 0.923 CV 1
OR { 934}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 62 and name HD13))
OR { 934}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 62 and name HD11))
ASSI { 936}
(( segid "A " and resid 78 and name HA ))
( segid "C " and resid 1904 and name HG2%)
2.900 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.90434E-03 ppm1 4.274 ppm2 1.486 CV 1
ASSI { 937}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 78 and name HB3 ))
3.300 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 4.278 ppm2 3.454 CV 1
ASSI { 938}
(( segid "A " and resid 78 and name HA ))
(( segid "A " and resid 78 and name HB2 ))
2.700 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.87744E-03 ppm1 4.284 ppm2 3.825 CV 1
ASSI { 939}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 62 and name HD12))
3.500 1.500 1.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.73677E-03 ppm1 3.834 ppm2 0.929 CV 1
OR { 939}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 62 and name HD13))
OR { 939}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 62 and name HD11))
ASSI { 942}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 78 and name HB3 ))
2.200 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.83085E-03 ppm1 3.827 ppm2 3.455 CV 1
ASSI { 954}
(( segid "A " and resid 78 and name HB3 ))
(( segid "A " and resid 79 and name H ))
3.300 1.400 1.400 peak 954 spectrum 1 weight 0.10000E+01 volume 0.33142E-03 ppm1 3.450 ppm2 8.159 CV 1
ASSI { 961}
(( segid "B " and resid 78 and name HB3 ))
(( segid "B " and resid 79 and name H ))
3.200 1.200 1.200 peak 961 spectrum 1 weight 0.10000E+01 volume 0.59197E-03 ppm1 3.236 ppm2 8.581 CV 1
ASSI { 962}
(( segid "B " and resid 78 and name HA ))
(( segid "B " and resid 78 and name HB2 ))
2.700 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.10114E-02 ppm1 4.333 ppm2 3.413 CV 1
ASSI { 964}
(( segid "B " and resid 78 and name HB2 ))
(( segid "B " and resid 78 and name HB3 ))
2.100 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.11597E-02 ppm1 3.406 ppm2 3.234 CV 1
ASSI { 967}
(( segid "B " and resid 78 and name HB3 ))
(( segid "B " and resid 78 and name HA ))
3.400 1.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.96545E-03 ppm1 3.239 ppm2 4.330 CV 1
ASSI { 968}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
3.300 1.400 1.400 peak 968 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 4.327 ppm2 2.927 CV 1
ASSI { 971}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 81 and name H ))
3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.67759E-03 ppm1 3.445 ppm2 8.590 CV 1
ASSI { 973}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 80 and name H ))
3.200 1.300 1.300 peak 973 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 3.444 ppm2 8.277 CV 1
ASSI { 975}
(( segid "A " and resid 77 and name HB ))
(( segid "A " and resid 78 and name H ))
3.800 1.800 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.72505E-03 ppm1 2.372 ppm2 8.241 CV 1
ASSI { 977}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name H ))
3.000 1.100 1.100 peak 977 spectrum 1 weight 0.10000E+01 volume 0.20195E-02 ppm1 0.960 ppm2 9.006 CV 1
OR { 977}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name H ))
OR { 977}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name H ))
ASSI { 979}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name H ))
3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 0.962 ppm2 8.810 CV 1
OR { 979}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name H ))
OR { 979}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name H ))
ASSI { 980}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name H ))
2.300 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.84948E-02 ppm1 0.961 ppm2 8.433 CV 1
OR { 980}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 77 and name H ))
OR { 980}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name H ))
ASSI { 982}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 47 and name H ))
2.700 2.700 3.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.57983E-02 ppm1 0.961 ppm2 8.250 CV 1
ASSI { 983}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 45 and name H ))
3.300 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 0.959 ppm2 8.044 CV 1
OR { 983}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 45 and name H ))
OR { 983}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 45 and name H ))
ASSI { 985}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD21))
2.600 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 0.961 ppm2 7.829 CV 1
OR { 985}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD21))
OR { 985}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD21))
ASSI { 987}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD22))
3.900 1.900 1.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 0.962 ppm2 7.432 CV 1
OR { 987}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD22))
OR { 987}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD22))
ASSI { 988}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name H ))
3.100 1.200 1.200 peak 988 spectrum 1 weight 0.10000E+01 volume 0.20831E-02 ppm1 1.157 ppm2 9.003 CV 1
ASSI { 990}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 81 and name H ))
4.300 2.300 1.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.85403E-03 ppm1 1.161 ppm2 8.588 CV 1
OR { 990}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 81 and name H ))
OR { 990}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 81 and name H ))
ASSI { 991}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name H ))
2.200 0.600 0.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 1.157 ppm2 8.433 CV 1
OR { 991}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 77 and name H ))
OR { 991}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name H ))
ASSI { 992}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 78 and name H ))
2.700 0.900 0.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.19543E-02 ppm1 1.159 ppm2 8.247 CV 1
OR { 992}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 78 and name H ))
OR { 992}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 78 and name H ))
ASSI { 993}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name H ))
3.700 1.800 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.19894E-02 ppm1 1.158 ppm2 8.143 CV 1
OR { 993}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name H ))
OR { 993}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name H ))
ASSI { 994}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HD21))
2.400 0.700 0.700 peak 994 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 1.156 ppm2 7.828 CV 1
OR { 994}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HD21))
OR { 994}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HD21))
ASSI { 995}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name H ))
4.900 2.900 1.100 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12347E-02 ppm1 1.156 ppm2 7.693 CV 1
OR { 995}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name H ))
OR { 995}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name H ))
ASSI { 996}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HD22))
3.500 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.22261E-02 ppm1 1.156 ppm2 7.432 CV 1
OR { 996}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HD22))
OR { 996}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HD22))
ASSI { 997}
(( segid "A " and resid 77 and name HG21))
( segid "A " and resid 78 and name HD% )
4.900 3.000 1.100 peak 997 spectrum 1 weight 0.10000E+01 volume 0.61299E-03 ppm1 1.156 ppm2 7.114 CV 1
OR { 997}
(( segid "A " and resid 77 and name HG23))
( segid "A " and resid 78 and name HD% )
OR { 997}
(( segid "A " and resid 77 and name HG22))
( segid "A " and resid 78 and name HD% )
ASSI { 1001}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1907 and name HA ))
3.800 1.800 1.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 0.962 ppm2 3.773 CV 1
OR { 1001}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1907 and name HA ))
OR { 1001}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1907 and name HA ))
ASSI { 1004}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 81 and name HB2 ))
3.200 1.300 1.300 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.15845E-02 ppm1 3.440 ppm2 3.295 CV 1
ASSI { 1005}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 77 and name HA ))
2.200 0.600 0.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.85881E-02 ppm1 0.961 ppm2 3.442 CV 1
OR { 1005}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name HA ))
OR { 1005}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name HA ))
ASSI { 1007}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HB2 ))
2.600 0.800 0.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 0.960 ppm2 3.154 CV 1
OR { 1007}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HB2 ))
OR { 1007}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HB2 ))
ASSI { 1008}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name HA ))
2.900 1.000 1.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.45020E-02 ppm1 1.158 ppm2 3.446 CV 1
OR { 1008}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 77 and name HA ))
OR { 1008}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name HA ))
ASSI { 1009}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name HA ))
2.800 1.000 1.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.89455E-02 ppm1 1.157 ppm2 3.772 CV 1
OR { 1009}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name HA ))
OR { 1009}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name HA ))
ASSI { 1010}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 74 and name HA ))
2.600 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.16229E-02 ppm1 1.157 ppm2 4.323 CV 1
OR { 1010}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 74 and name HA ))
OR { 1010}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 74 and name HA ))
ASSI { 1011}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HB2 ))
2.700 0.900 0.900 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 1.157 ppm2 3.155 CV 1
OR { 1011}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HB2 ))
OR { 1011}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HB2 ))
ASSI { 1012}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 81 and name HB2 ))
4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 1.157 ppm2 3.303 CV 1
OR { 1012}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 81 and name HB2 ))
OR { 1012}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 81 and name HB2 ))
ASSI { 1013}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 81 and name HG ))
3.500 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.39993E-02 ppm1 1.156 ppm2 2.906 CV 1
OR { 1013}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 81 and name HG ))
OR { 1013}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 81 and name HG ))
ASSI { 1014}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 81 and name HG ))
4.300 2.300 1.700 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.79443E-03 ppm1 0.962 ppm2 2.912 CV 1
OR { 1014}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 81 and name HG ))
OR { 1014}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 81 and name HG ))
ASSI { 1018}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
3.500 1.500 1.500 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.95742E-03 ppm1 3.444 ppm2 2.008 CV 1
OR { 1018}
(( segid "A " and resid 77 and name HA ))
( segid "C " and resid 1910 and name HE% )
OR { 1018}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 1021}
(( segid "A " and resid 77 and name HB ))
(( segid "A " and resid 74 and name HA ))
4.600 2.600 1.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.89827E-03 ppm1 2.371 ppm2 4.329 CV 1
ASSI { 1022}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name HG22))
1.900 0.500 0.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.24407E-01 ppm1 0.961 ppm2 1.162 CV 1
OR { 1022}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name HG23))
OR { 1022}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name HG22))
OR { 1022}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 77 and name HG23))
OR { 1022}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 77 and name HG22))
OR { 1022}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name HG23))
OR { 1022}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name HG21))
OR { 1022}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name HG21))
ASSI { 1026}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 43 and name HB2 ))
2.400 2.400 3.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.16556E-02 ppm1 0.961 ppm2 2.464 CV 1
OR { 1026}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 43 and name HB2 ))
ASSI { 1027}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 77 and name HB ))
2.000 0.500 0.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.83040E-02 ppm1 0.961 ppm2 2.365 CV 1
OR { 1027}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 77 and name HB ))
OR { 1027}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 77 and name HB ))
ASSI { 1028}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HB2 ))
3.500 1.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 0.961 ppm2 2.269 CV 1
OR { 1028}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HB2 ))
OR { 1028}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 1030}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HB3 ))
4.000 2.000 2.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 0.960 ppm2 2.692 CV 1
OR { 1030}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HB3 ))
OR { 1030}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HB3 ))
ASSI { 1031}
(( segid "A " and resid 77 and name HG21))
( segid "C " and resid 1907 and name HB% )
1.900 0.400 0.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.11406E-01 ppm1 1.157 ppm2 1.645 CV 1
OR { 1031}
(( segid "A " and resid 77 and name HG22))
( segid "C " and resid 1907 and name HB% )
OR { 1031}
(( segid "A " and resid 77 and name HG23))
( segid "C " and resid 1907 and name HB% )
ASSI { 1032}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name HG11))
2.100 0.600 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.12965E-01 ppm1 1.157 ppm2 0.958 CV 1
OR { 1032}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name HG11))
OR { 1032}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name HG12))
OR { 1032}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name HG13))
OR { 1032}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name HG13))
OR { 1032}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name HG12))
OR { 1032}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 77 and name HG11))
ASSI { 1033}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG3 ))
3.100 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.71617E-02 ppm1 1.157 ppm2 1.995 CV 1
OR { 1033}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1033}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1033}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG2 ))
OR { 1033}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG2 ))
OR { 1033}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 1034}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HB2 ))
2.800 2.800 3.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.57463E-02 ppm1 1.157 ppm2 2.266 CV 1
OR { 1034}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HB2 ))
OR { 1034}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 1035}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 77 and name HB ))
2.100 0.600 0.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.51438E-02 ppm1 1.157 ppm2 2.366 CV 1
OR { 1035}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 77 and name HB ))
OR { 1035}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 77 and name HB ))
ASSI { 1037}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HB3 ))
4.000 2.000 2.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.78317E-03 ppm1 1.157 ppm2 2.690 CV 1
ASSI { 1039}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 80 and name H ))
3.100 1.200 1.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 3.426 ppm2 8.240 CV 1
ASSI { 1040}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 78 and name H ))
3.200 1.300 1.300 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.71291E-03 ppm1 3.420 ppm2 7.679 CV 1
ASSI { 1043}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 78 and name H ))
2.600 0.800 0.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.28027E-02 ppm1 1.161 ppm2 7.672 CV 1
OR { 1043}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 78 and name H ))
OR { 1043}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 78 and name H ))
ASSI { 1044}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name H ))
4.800 2.900 1.200 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.83127E-03 ppm1 1.160 ppm2 7.823 CV 1
OR { 1044}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name H ))
OR { 1044}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name H ))
ASSI { 1045}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 77 and name H ))
2.100 0.600 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.89740E-02 ppm1 1.161 ppm2 8.383 CV 1
OR { 1045}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 77 and name H ))
OR { 1045}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name H ))
ASSI { 1046}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 74 and name H ))
4.600 2.600 1.400 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.65896E-03 ppm1 1.159 ppm2 8.899 CV 1
OR { 1046}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 74 and name H ))
OR { 1046}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 74 and name H ))
ASSI { 1047}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name H ))
4.400 2.400 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 1.160 ppm2 8.813 CV 1
OR { 1047}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name H ))
OR { 1047}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name H ))
ASSI { 1049}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 78 and name H ))
3.200 1.300 1.300 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 1.019 ppm2 7.678 CV 1
OR { 1049}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 78 and name H ))
OR { 1049}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 78 and name H ))
ASSI { 1050}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name H ))
4.300 2.300 1.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 1.019 ppm2 7.821 CV 1
OR { 1050}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name H ))
ASSI { 1051}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1917 and name H ))
3.800 1.900 1.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 1.020 ppm2 8.139 CV 1
OR { 1051}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1917 and name H ))
OR { 1051}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1917 and name H ))
ASSI { 1052}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name H ))
3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 1.021 ppm2 8.383 CV 1
OR { 1052}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 77 and name H ))
OR { 1052}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name H ))
ASSI { 1053}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1918 and name H ))
4.500 2.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.89000E-03 ppm1 1.019 ppm2 8.904 CV 1
OR { 1053}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1918 and name H ))
OR { 1053}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1918 and name H ))
ASSI { 1054}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name H ))
3.100 1.200 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.19502E-02 ppm1 1.020 ppm2 8.815 CV 1
OR { 1054}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name H ))
OR { 1054}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name H ))
ASSI { 1055}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 81 and name H ))
3.500 1.600 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.90563E-03 ppm1 1.019 ppm2 7.624 CV 1
OR { 1055}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 81 and name H ))
OR { 1055}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 81 and name H ))
ASSI { 1057}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 77 and name HB ))
2.700 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 3.424 ppm2 2.291 CV 1
ASSI { 1058}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 77 and name HA ))
2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.81264E-02 ppm1 1.161 ppm2 3.423 CV 1
OR { 1058}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 77 and name HA ))
OR { 1058}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name HA ))
ASSI { 1059}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name HA ))
3.800 1.800 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 1.161 ppm2 3.598 CV 1
OR { 1059}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name HA ))
OR { 1059}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name HA ))
ASSI { 1061}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 74 and name HA ))
2.400 0.700 0.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.31582E-02 ppm1 1.161 ppm2 4.010 CV 1
OR { 1061}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 74 and name HA ))
OR { 1061}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 74 and name HA ))
ASSI { 1064}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 76 and name HB2 ))
4.200 2.200 1.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 1.161 ppm2 3.113 CV 1
OR { 1064}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 76 and name HB2 ))
OR { 1064}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 76 and name HB2 ))
ASSI { 1066}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 77 and name HA ))
2.200 0.600 0.600 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.56401E-02 ppm1 1.021 ppm2 3.421 CV 1
OR { 1066}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name HA ))
OR { 1066}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name HA ))
ASSI { 1067}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name HA ))
1.700 0.400 0.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.12746E-01 ppm1 1.020 ppm2 3.600 CV 1
OR { 1067}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name HA ))
OR { 1067}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name HA ))
ASSI { 1068}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 74 and name HA ))
4.000 2.000 2.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 1.020 ppm2 4.015 CV 1
OR { 1068}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 74 and name HA ))
OR { 1068}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 74 and name HA ))
ASSI { 1072}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HG2 ))
4.000 2.000 2.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.14716E-02 ppm1 1.164 ppm2 2.496 CV 1
OR { 1072}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HG2 ))
OR { 1072}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG2 ))
ASSI { 1073}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 73 and name HG2 ))
2.800 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.32493E-02 ppm1 1.161 ppm2 2.418 CV 1
OR { 1073}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 73 and name HG2 ))
OR { 1073}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 73 and name HG2 ))
ASSI { 1074}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 77 and name HB ))
1.800 0.400 0.400 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.14846E-01 ppm1 1.161 ppm2 2.305 CV 1
OR { 1074}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name HB ))
OR { 1074}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 77 and name HB ))
ASSI { 1075}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 77 and name HB ))
1.800 0.400 0.400 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.11850E-01 ppm1 1.021 ppm2 2.306 CV 1
OR { 1075}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name HB ))
OR { 1075}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name HB ))
ASSI { 1077}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HG2 ))
3.800 1.800 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 1.022 ppm2 2.501 CV 1
OR { 1077}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HG2 ))
ASSI { 1079}
(( segid "B " and resid 77 and name HG11))
( segid "C " and resid 1910 and name HE% )
2.900 1.000 1.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.10147E-01 ppm1 1.161 ppm2 2.010 CV 1
OR { 1079}
(( segid "B " and resid 77 and name HG12))
( segid "C " and resid 1910 and name HE% )
OR { 1079}
(( segid "B " and resid 77 and name HG13))
( segid "C " and resid 1910 and name HE% )
OR { 1079}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HG2 ))
OR { 1079}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1079}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1079}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 1080}
(( segid "B " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
2.900 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.98234E-03 ppm1 3.423 ppm2 2.008 CV 1
OR { 1080}
(( segid "B " and resid 77 and name HA ))
( segid "C " and resid 1910 and name HE% )
OR { 1080}
(( segid "B " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 1085}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name HG22))
2.000 0.500 0.500 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.15706E-01 ppm1 1.161 ppm2 1.018 CV 1
OR { 1085}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 77 and name HG22))
OR { 1085}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 77 and name HG22))
OR { 1085}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name HG23))
OR { 1085}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 77 and name HG23))
OR { 1085}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 77 and name HG23))
OR { 1085}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 77 and name HG21))
ASSI { 1087}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1917 and name HB2 ))
2.500 0.800 0.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.35592E-02 ppm1 1.021 ppm2 1.640 CV 1
OR { 1087}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1917 and name HB2 ))
OR { 1087}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1917 and name HB2 ))
ASSI { 1089}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 76 and name H ))
2.900 1.100 1.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 3.573 ppm2 8.460 CV 1
ASSI { 1099}
(( segid "A " and resid 76 and name HB3 ))
(( segid "A " and resid 76 and name HA ))
3.200 1.300 1.300 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.95157E-03 ppm1 2.552 ppm2 3.568 CV 1
ASSI { 1102}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 76 and name HB2 ))
3.100 1.200 1.200 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.16558E-02 ppm1 3.572 ppm2 3.161 CV 1
ASSI { 1103}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
4.200 2.200 1.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 3.571 ppm2 1.986 CV 1
OR { 1103}
(( segid "A " and resid 76 and name HA ))
( segid "C " and resid 1910 and name HE% )
OR { 1103}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 1105}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 79 and name HB2 ))
3.200 1.300 1.300 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.76299E-03 ppm1 3.574 ppm2 1.636 CV 1
ASSI { 1106}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 79 and name HG ))
3.600 1.600 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.71120E-03 ppm1 3.567 ppm2 1.254 CV 1
ASSI { 1107}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 79 and name HB3 ))
4.100 2.100 1.900 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 3.569 ppm2 1.044 CV 1
ASSI { 1110}
(( segid "A " and resid 76 and name HB2 ))
(( segid "A " and resid 76 and name HB3 ))
2.200 0.600 0.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.19441E-02 ppm1 3.163 ppm2 2.556 CV 1
ASSI { 1112}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 76 and name H ))
2.700 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 3.559 ppm2 8.338 CV 1
ASSI { 1116}
(( segid "B " and resid 76 and name HA ))
(( segid "A " and resid 80 and name HB2 ))
4.800 2.900 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.73700E-03 ppm1 3.564 ppm2 4.280 CV 1
ASSI { 1117}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 12 and name HA ))
4.700 2.800 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.71575E-03 ppm1 3.563 ppm2 4.051 CV 1
ASSI { 1119}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 76 and name HB2 ))
2.900 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.15050E-02 ppm1 3.561 ppm2 3.117 CV 1
ASSI { 1121}
(( segid "B " and resid 76 and name HA ))
( segid "C " and resid 1910 and name HE% )
3.900 1.900 1.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 3.558 ppm2 2.021 CV 1
ASSI { 1122}
(( segid "B " and resid 76 and name HB2 ))
(( segid "B " and resid 76 and name HB3 ))
1.900 0.500 0.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 3.102 ppm2 2.592 CV 1
ASSI { 1124}
(( segid "B " and resid 76 and name HB3 ))
(( segid "B " and resid 76 and name HA ))
2.600 0.800 0.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 2.597 ppm2 3.565 CV 1
ASSI { 1129}
(( segid "B " and resid 76 and name HB2 ))
( segid "C " and resid 1910 and name HE% )
2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.17039E-02 ppm1 3.107 ppm2 2.022 CV 1
ASSI { 1130}
(( segid "B " and resid 76 and name HB3 ))
( segid "C " and resid 1910 and name HE% )
2.600 0.800 0.800 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 2.595 ppm2 2.015 CV 1
ASSI { 1131}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HD13))
3.000 1.100 1.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.12576E-02 ppm1 3.559 ppm2 0.470 CV 1
OR { 1131}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HD11))
OR { 1131}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HD12))
OR { 1131}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HD23))
ASSI { 1132}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 62 and name HD11))
4.500 2.500 1.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.97998E-03 ppm1 3.560 ppm2 0.566 CV 1
OR { 1132}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 62 and name HD13))
OR { 1132}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 62 and name HD12))
ASSI { 1133}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HB2 ))
2.600 0.900 0.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.10149E-02 ppm1 3.561 ppm2 1.426 CV 1
ASSI { 1134}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HG ))
4.200 2.200 1.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.65722E-03 ppm1 3.562 ppm2 1.224 CV 1
ASSI { 1135}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HB3 ))
4.200 2.200 1.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 3.560 ppm2 0.999 CV 1
ASSI { 1137}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name H ))
3.000 1.100 1.100 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 4.394 ppm2 8.917 CV 1
ASSI { 1138}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 76 and name H ))
3.600 1.700 1.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.67888E-03 ppm1 4.390 ppm2 8.457 CV 1
ASSI { 1139}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 78 and name H ))
3.400 1.500 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 4.389 ppm2 8.239 CV 1
ASSI { 1140}
(( segid "A " and resid 75 and name HA ))
( segid "A " and resid 78 and name HD% )
3.500 1.500 1.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.83105E-03 ppm1 4.389 ppm2 7.112 CV 1
ASSI { 1141}
(( segid "A " and resid 75 and name HA ))
( segid "A " and resid 75 and name HD% )
3.300 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.92016E-03 ppm1 4.385 ppm2 6.923 CV 1
ASSI { 1143}
(( segid "A " and resid 75 and name HB3 ))
( segid "A " and resid 75 and name HD% )
3.400 1.400 1.400 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.92816E-03 ppm1 3.019 ppm2 6.914 CV 1
ASSI { 1145}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 78 and name HB2 ))
3.500 1.600 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.96868E-03 ppm1 4.384 ppm2 3.830 CV 1
ASSI { 1146}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 78 and name HB3 ))
2.600 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.83018E-03 ppm1 4.389 ppm2 3.453 CV 1
ASSI { 1147}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HB3 ))
3.200 1.300 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.99471E-03 ppm1 4.387 ppm2 3.027 CV 1
ASSI { 1148}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HB2 ))
3.100 1.200 1.200 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.63013E-03 ppm1 4.385 ppm2 3.274 CV 1
ASSI { 1149}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 70 and name HG11))
2.900 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 4.384 ppm2 1.186 CV 1
OR { 1149}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 70 and name HG12))
OR { 1149}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 70 and name HG13))
ASSI { 1150}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 62 and name HD12))
5.100 3.200 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.71401E-03 ppm1 4.387 ppm2 0.925 CV 1
OR { 1150}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 62 and name HD13))
OR { 1150}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 62 and name HD11))
ASSI { 1152}
(( segid "B " and resid 75 and name HA ))
(( segid "B " and resid 75 and name HB3 ))
3.300 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 4.303 ppm2 2.998 CV 1
ASSI { 1153}
(( segid "B " and resid 75 and name HA ))
(( segid "B " and resid 75 and name HB2 ))
2.800 1.000 1.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 4.312 ppm2 3.304 CV 1
ASSI { 1154}
(( segid "B " and resid 75 and name HA ))
(( segid "B " and resid 75 and name H ))
3.000 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 4.310 ppm2 8.755 CV 1
ASSI { 1155}
(( segid "B " and resid 75 and name HA ))
(( segid "B " and resid 78 and name H ))
3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.13389E-02 ppm1 4.316 ppm2 7.685 CV 1
ASSI { 1156}
(( segid "B " and resid 75 and name HA ))
( segid "B " and resid 78 and name HD% )
3.800 1.800 1.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.88632E-03 ppm1 4.303 ppm2 7.004 CV 1
ASSI { 1158}
(( segid "B " and resid 75 and name HA ))
( segid "B " and resid 75 and name HD% )
3.700 1.700 1.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.73916E-03 ppm1 4.310 ppm2 6.901 CV 1
ASSI { 1160}
(( segid "B " and resid 75 and name HB2 ))
( segid "B " and resid 75 and name HD% )
3.200 1.300 1.300 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.65202E-03 ppm1 3.305 ppm2 6.923 CV 1
ASSI { 1161}
(( segid "B " and resid 75 and name HB3 ))
(( segid "B " and resid 75 and name H ))
2.800 1.000 1.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 2.993 ppm2 8.751 CV 1
ASSI { 1162}
(( segid "B " and resid 75 and name HB3 ))
( segid "B " and resid 75 and name HD% )
3.300 1.400 1.400 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.69060E-03 ppm1 2.993 ppm2 6.906 CV 1
ASSI { 1169}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HG2 ))
3.400 1.400 1.400 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 4.317 ppm2 2.609 CV 1
ASSI { 1170}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
3.000 1.100 1.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.72202E-03 ppm1 4.319 ppm2 2.138 CV 1
OR { 1170}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 1171}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HG3 ))
4.300 2.300 1.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.83886E-03 ppm1 4.319 ppm2 2.934 CV 1
ASSI { 1181}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 75 and name H ))
4.600 2.600 1.400 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.49182E-03 ppm1 2.130 ppm2 8.905 CV 1
ASSI { 1184}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 75 and name H ))
3.600 1.600 1.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.92058E-03 ppm1 2.610 ppm2 8.905 CV 1
ASSI { 1185}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 74 and name H ))
4.600 2.600 1.400 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.61538E-03 ppm1 2.929 ppm2 8.806 CV 1
ASSI { 1186}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 75 and name H ))
5.000 3.100 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.73177E-03 ppm1 2.929 ppm2 8.898 CV 1
ASSI { 1189}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 77 and name HG11))
4.200 2.200 1.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.11950E-02 ppm1 4.315 ppm2 0.957 CV 1
OR { 1189}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 77 and name HG12))
OR { 1189}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 77 and name HG13))
ASSI { 1191}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 70 and name HG13))
3.800 1.800 1.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.87312E-03 ppm1 2.614 ppm2 1.188 CV 1
OR { 1191}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 70 and name HG12))
OR { 1191}
(( segid "A " and resid 74 and name HG2 ))
(( segid "A " and resid 70 and name HG11))
OR { 1191}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 70 and name HG13))
OR { 1191}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 70 and name HG11))
OR { 1191}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 70 and name HG12))
ASSI { 1195}
(( segid "A " and resid 74 and name HA ))
(( segid "C " and resid 1911 and name HD21))
3.400 1.400 1.400 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.47038E-03 ppm1 4.318 ppm2 7.827 CV 1
ASSI { 1197}
(( segid "B " and resid 74 and name HA ))
(( segid "B " and resid 75 and name H ))
3.500 1.500 1.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.61951E-03 ppm1 4.008 ppm2 8.757 CV 1
ASSI { 1209}
(( segid "B " and resid 73 and name HG2 ))
( segid "C " and resid 1910 and name HE% )
2.700 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.19495E-02 ppm1 2.416 ppm2 2.010 CV 1
OR { 1209}
(( segid "B " and resid 73 and name HG2 ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 1213}
(( segid "B " and resid 73 and name HA ))
( segid "C " and resid 1910 and name HE% )
3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.16446E-02 ppm1 3.949 ppm2 2.019 CV 1
ASSI { 1217}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 76 and name HB3 ))
4.300 2.400 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.80874E-03 ppm1 3.952 ppm2 2.582 CV 1
ASSI { 1219}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name H ))
3.000 1.200 1.200 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 3.247 ppm2 8.947 CV 1
ASSI { 1221}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 73 and name H ))
3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.47990E-03 ppm1 3.248 ppm2 8.262 CV 1
ASSI { 1223}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 73 and name H ))
4.300 2.400 1.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.78662E-03 ppm1 2.757 ppm2 8.261 CV 1
ASSI { 1225}
(( segid "A " and resid 72 and name HA ))
( segid "A " and resid 75 and name HD% )
4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.99144E-03 ppm1 3.248 ppm2 6.930 CV 1
ASSI { 1226}
(( segid "A " and resid 72 and name HA ))
( segid "A " and resid 72 and name HD% )
3.100 1.200 1.200 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 3.254 ppm2 6.168 CV 1
ASSI { 1227}
(( segid "A " and resid 72 and name HB3 ))
( segid "A " and resid 72 and name HD% )
3.300 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 2.518 ppm2 6.176 CV 1
ASSI { 1228}
(( segid "A " and resid 72 and name HB2 ))
( segid "A " and resid 72 and name HD% )
3.300 1.300 1.300 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.94421E-03 ppm1 2.760 ppm2 6.176 CV 1
ASSI { 1230}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HB3 ))
3.400 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 3.245 ppm2 2.522 CV 1
ASSI { 1231}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 72 and name HB2 ))
3.000 1.100 1.100 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 3.237 ppm2 2.763 CV 1
ASSI { 1232}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 75 and name HB3 ))
3.400 1.500 1.500 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.61776E-03 ppm1 3.247 ppm2 3.034 CV 1
ASSI { 1234}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 72 and name HB3 ))
2.400 0.700 0.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 2.767 ppm2 2.501 CV 1
ASSI { 1238}
(( segid "B " and resid 72 and name HA ))
( segid "B " and resid 72 and name HD% )
3.000 1.100 1.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.93988E-03 ppm1 3.205 ppm2 6.217 CV 1
ASSI { 1239}
(( segid "B " and resid 72 and name HA ))
( segid "B " and resid 75 and name HD% )
4.200 2.200 1.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.90498E-03 ppm1 3.207 ppm2 6.895 CV 1
ASSI { 1242}
(( segid "B " and resid 72 and name HB2 ))
(( segid "B " and resid 73 and name H ))
4.300 2.400 1.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.86120E-03 ppm1 2.744 ppm2 8.271 CV 1
ASSI { 1245}
(( segid "B " and resid 72 and name HB2 ))
( segid "B " and resid 72 and name HD% )
3.100 1.200 1.200 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.11356E-02 ppm1 2.741 ppm2 6.217 CV 1
ASSI { 1246}
(( segid "B " and resid 72 and name HB3 ))
( segid "B " and resid 72 and name HD% )
3.500 1.600 1.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.86185E-03 ppm1 2.475 ppm2 6.212 CV 1
ASSI { 1249}
(( segid "B " and resid 72 and name HA ))
(( segid "B " and resid 75 and name HB3 ))
3.100 1.200 1.200 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.48923E-03 ppm1 3.203 ppm2 2.984 CV 1
ASSI { 1250}
(( segid "B " and resid 72 and name HA ))
(( segid "B " and resid 72 and name HB2 ))
3.200 1.300 1.300 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.82737E-03 ppm1 3.201 ppm2 2.736 CV 1
ASSI { 1251}
(( segid "B " and resid 72 and name HA ))
(( segid "B " and resid 72 and name HB3 ))
3.600 1.600 1.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.73567E-03 ppm1 3.201 ppm2 2.468 CV 1
ASSI { 1252}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
3.100 1.200 1.200 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.15448E-02 ppm1 5.171 ppm2 2.754 CV 1
ASSI { 1253}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
3.200 1.300 1.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.14081E-02 ppm1 5.171 ppm2 3.578 CV 1
ASSI { 1254}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 71 and name HB3 ))
2.600 0.800 0.800 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 3.578 ppm2 2.755 CV 1
ASSI { 1261}
(( segid "A " and resid 71 and name HA ))
( segid "A " and resid 27 and name HD% )
3.500 1.500 1.500 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.86553E-03 ppm1 5.162 ppm2 7.473 CV 1
ASSI { 1262}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 72 and name H ))
3.300 1.400 1.400 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.85881E-03 ppm1 2.748 ppm2 8.965 CV 1
ASSI { 1263}
(( segid "B " and resid 71 and name HB3 ))
(( segid "B " and resid 72 and name H ))
3.300 1.300 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.84732E-03 ppm1 2.733 ppm2 8.971 CV 1
ASSI { 1264}
(( segid "B " and resid 71 and name HB2 ))
(( segid "B " and resid 72 and name H ))
3.800 1.800 1.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 3.590 ppm2 8.965 CV 1
ASSI { 1265}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 72 and name H ))
3.000 1.100 1.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 5.193 ppm2 8.971 CV 1
ASSI { 1266}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 29 and name H ))
4.100 2.100 1.900 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.54709E-03 ppm1 5.184 ppm2 9.663 CV 1
ASSI { 1267}
(( segid "B " and resid 71 and name HA ))
( segid "B " and resid 27 and name HD% )
2.500 2.500 3.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 5.196 ppm2 7.484 CV 1
ASSI { 1268}
(( segid "B " and resid 71 and name HA ))
( segid "B " and resid 75 and name HD% )
4.400 2.400 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.68734E-03 ppm1 5.193 ppm2 6.901 CV 1
ASSI { 1271}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 71 and name HB2 ))
3.300 1.300 1.300 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 5.196 ppm2 3.582 CV 1
ASSI { 1272}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 71 and name HB3 ))
3.200 1.300 1.300 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.12904E-02 ppm1 5.202 ppm2 2.732 CV 1
ASSI { 1273}
(( segid "B " and resid 71 and name HB2 ))
(( segid "B " and resid 71 and name HB3 ))
2.600 0.800 0.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.13053E-02 ppm1 3.593 ppm2 2.732 CV 1
ASSI { 1275}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 28 and name HD2 ))
3.300 1.400 1.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.81067E-03 ppm1 5.187 ppm2 1.719 CV 1
ASSI { 1276}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 28 and name HD3 ))
3.500 1.500 1.500 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.63510E-03 ppm1 5.193 ppm2 1.518 CV 1
ASSI { 1277}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 28 and name HG3 ))
2.900 2.900 3.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.57918E-03 ppm1 5.190 ppm2 1.342 CV 1
ASSI { 1278}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 70 and name HG11))
4.200 2.200 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.54841E-03 ppm1 5.190 ppm2 1.203 CV 1
OR { 1278}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 70 and name HG12))
OR { 1278}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 70 and name HG13))
ASSI { 1282}
(( segid "A " and resid 70 and name HB ))
(( segid "A " and resid 70 and name HA ))
3.400 1.500 1.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.61818E-03 ppm1 2.250 ppm2 5.284 CV 1
ASSI { 1283}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 70 and name H ))
3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.20542E-02 ppm1 1.201 ppm2 10.036 CV 1
OR { 1283}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 70 and name H ))
OR { 1283}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 70 and name H ))
ASSI { 1284}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 70 and name H ))
3.600 1.600 1.600 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.22044E-02 ppm1 1.183 ppm2 9.993 CV 1
OR { 1284}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 70 and name H ))
OR { 1284}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 70 and name H ))
ASSI { 1285}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 29 and name H ))
3.600 1.600 1.600 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.15657E-02 ppm1 1.188 ppm2 9.666 CV 1
OR { 1285}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 29 and name H ))
OR { 1285}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 29 and name H ))
ASSI { 1286}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 71 and name H ))
3.000 1.100 1.100 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.37868E-02 ppm1 1.184 ppm2 9.121 CV 1
OR { 1286}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 71 and name H ))
OR { 1286}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 71 and name H ))
ASSI { 1287}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 75 and name H ))
2.600 0.800 0.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.49530E-02 ppm1 1.185 ppm2 8.916 CV 1
OR { 1287}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 75 and name H ))
OR { 1287}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 75 and name H ))
ASSI { 1288}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 74 and name H ))
3.600 1.600 1.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.19610E-02 ppm1 1.188 ppm2 8.800 CV 1
OR { 1288}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 74 and name H ))
OR { 1288}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 74 and name H ))
ASSI { 1289}
(( segid "B " and resid 70 and name HG13))
( segid "B " and resid 78 and name HE% )
3.200 3.200 2.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.34856E-02 ppm1 1.185 ppm2 6.916 CV 1
OR { 1289}
(( segid "B " and resid 70 and name HG11))
( segid "B " and resid 78 and name HE% )
OR { 1289}
(( segid "B " and resid 70 and name HG12))
( segid "B " and resid 78 and name HE% )
ASSI { 1290}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 70 and name H ))
2.500 0.800 0.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.48100E-02 ppm1 0.874 ppm2 9.992 CV 1
OR { 1290}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name H ))
OR { 1290}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name H ))
ASSI { 1291}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 29 and name H ))
3.900 1.900 1.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 0.873 ppm2 9.668 CV 1
OR { 1291}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 29 and name H ))
OR { 1291}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 29 and name H ))
ASSI { 1292}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 71 and name H ))
3.700 1.700 1.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.28395E-02 ppm1 0.874 ppm2 9.121 CV 1
OR { 1292}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 71 and name H ))
OR { 1292}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 71 and name H ))
ASSI { 1293}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 63 and name H ))
3.400 1.400 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 0.874 ppm2 7.865 CV 1
OR { 1293}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 63 and name H ))
OR { 1293}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 63 and name H ))
ASSI { 1294}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name H ))
2.500 2.500 3.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13378E-02 ppm1 0.876 ppm2 7.714 CV 1
OR { 1294}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name H ))
OR { 1294}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name H ))
ASSI { 1296}
(( segid "A " and resid 70 and name HG23))
( segid "A " and resid 75 and name HD% )
4.400 2.400 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.65980E-03 ppm1 0.868 ppm2 6.925 CV 1
OR { 1296}
(( segid "A " and resid 70 and name HG22))
( segid "A " and resid 75 and name HD% )
OR { 1296}
(( segid "A " and resid 70 and name HG21))
( segid "A " and resid 75 and name HD% )
ASSI { 1297}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name HA ))
2.300 0.700 0.700 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.66913E-02 ppm1 0.875 ppm2 5.288 CV 1
OR { 1297}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 70 and name HA ))
OR { 1297}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name HA ))
ASSI { 1298}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 69 and name HA ))
3.600 1.600 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.18810E-02 ppm1 0.874 ppm2 4.812 CV 1
OR { 1298}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 69 and name HA ))
OR { 1298}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 69 and name HA ))
ASSI { 1300}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 59 and name HA ))
3.000 1.100 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 0.875 ppm2 3.870 CV 1
OR { 1300}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 59 and name HA ))
OR { 1300}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 59 and name HA ))
ASSI { 1301}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 75 and name HB3 ))
4.500 2.500 1.500 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.67000E-03 ppm1 0.874 ppm2 3.027 CV 1
OR { 1301}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 75 and name HB3 ))
OR { 1301}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 75 and name HB3 ))
ASSI { 1302}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 74 and name HG3 ))
3.700 1.700 1.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 0.875 ppm2 2.930 CV 1
OR { 1302}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 74 and name HG3 ))
OR { 1302}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 74 and name HG3 ))
ASSI { 1303}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 75 and name HB3 ))
3.500 1.500 1.500 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.31733E-02 ppm1 1.188 ppm2 3.030 CV 1
OR { 1303}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 75 and name HB3 ))
OR { 1303}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 75 and name HB3 ))
ASSI { 1304}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 75 and name HB2 ))
2.700 0.900 0.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 1.186 ppm2 3.266 CV 1
OR { 1304}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 75 and name HB2 ))
OR { 1304}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 1305}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 74 and name HG2 ))
2.600 0.800 0.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.63316E-02 ppm1 1.194 ppm2 2.602 CV 1
OR { 1305}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 74 and name HG2 ))
OR { 1305}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 1306}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 74 and name HG2 ))
4.300 2.300 1.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 0.870 ppm2 2.598 CV 1
OR { 1306}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 74 and name HG2 ))
OR { 1306}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 1308}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 59 and name HG3 ))
3.000 1.100 1.100 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.25101E-02 ppm1 0.875 ppm2 2.434 CV 1
OR { 1308}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 59 and name HG3 ))
OR { 1308}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 59 and name HG3 ))
ASSI { 1309}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 70 and name HB ))
2.200 0.600 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.77167E-02 ppm1 0.874 ppm2 2.238 CV 1
OR { 1309}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name HB ))
OR { 1309}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name HB ))
ASSI { 1311}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HB2 ))
2.800 1.000 1.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.28829E-02 ppm1 0.875 ppm2 1.791 CV 1
OR { 1311}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HB2 ))
OR { 1311}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name HB2 ))
ASSI { 1314}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 62 and name HD23))
2.700 0.900 0.900 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.45020E-02 ppm1 1.185 ppm2 0.289 CV 1
OR { 1314}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 62 and name HD22))
OR { 1314}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 62 and name HD23))
OR { 1314}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 62 and name HD23))
OR { 1314}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 62 and name HD22))
OR { 1314}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 62 and name HD22))
OR { 1314}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 62 and name HD21))
OR { 1314}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 62 and name HD21))
ASSI { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD13))
2.600 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11243E-01 ppm1 1.184 ppm2 0.770 CV 1
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD13))
OR { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD11))
OR { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD12))
OR { 1315}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 34 and name HD13))
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD11))
OR { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD22))
OR { 1315}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 34 and name HD11))
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD12))
OR { 1315}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 34 and name HD12))
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD22))
OR { 1315}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 34 and name HD22))
OR { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD23))
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD23))
OR { 1315}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 34 and name HD23))
OR { 1315}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 34 and name HD21))
OR { 1315}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 34 and name HD21))
ASSI { 1316}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HD22))
2.400 0.700 0.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.73048E-02 ppm1 0.874 ppm2 0.288 CV 1
OR { 1316}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HD22))
OR { 1316}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HD23))
OR { 1316}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name HD22))
OR { 1316}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HD23))
OR { 1316}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HD21))
OR { 1316}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name HD23))
OR { 1316}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HD21))
ASSI { 1318}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 34 and name HD13))
2.200 0.600 0.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.13645E-01 ppm1 0.874 ppm2 0.782 CV 1
OR { 1318}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 34 and name HD13))
OR { 1318}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 34 and name HD11))
OR { 1318}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 34 and name HD12))
OR { 1318}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 34 and name HD11))
OR { 1318}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 34 and name HD12))
OR { 1318}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 34 and name HD11))
OR { 1318}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 34 and name HD13))
OR { 1318}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 34 and name HD12))
ASSI { 1319}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HB3 ))
2.400 0.700 0.700 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 0.874 ppm2 1.264 CV 1
OR { 1319}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HB3 ))
OR { 1319}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name HB3 ))
ASSI { 1320}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name HG11))
2.100 0.500 0.500 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.18396E-01 ppm1 0.874 ppm2 1.185 CV 1
OR { 1320}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name HG13))
OR { 1320}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name HG11))
OR { 1320}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name HG13))
OR { 1320}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 70 and name HG11))
OR { 1320}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 70 and name HG12))
OR { 1320}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 70 and name HG12))
OR { 1320}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 70 and name HG12))
ASSI { 1321}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 58 and name HG ))
3.500 1.500 1.500 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.11751E-02 ppm1 0.874 ppm2 1.385 CV 1
OR { 1321}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 58 and name HG ))
OR { 1321}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 58 and name HG ))
ASSI { 1322}
(( segid "A " and resid 70 and name HG11))
(( segid "A " and resid 62 and name HB2 ))
4.100 2.100 1.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 1.188 ppm2 1.786 CV 1
OR { 1322}
(( segid "A " and resid 70 and name HG13))
(( segid "A " and resid 62 and name HB2 ))
OR { 1322}
(( segid "A " and resid 70 and name HG12))
(( segid "A " and resid 62 and name HB2 ))
ASSI { 1323}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 75 and name H ))
3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 0.868 ppm2 8.922 CV 1
OR { 1323}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 75 and name H ))
OR { 1323}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 75 and name H ))
ASSI { 1324}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 71 and name H ))
3.000 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.38366E-02 ppm1 1.201 ppm2 9.364 CV 1
OR { 1324}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 71 and name H ))
OR { 1324}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 71 and name H ))
ASSI { 1325}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 29 and name H ))
3.600 1.700 1.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.12429E-02 ppm1 1.197 ppm2 9.670 CV 1
OR { 1325}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 29 and name H ))
OR { 1325}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 29 and name H ))
ASSI { 1326}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 74 and name H ))
3.500 1.600 1.600 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.27897E-02 ppm1 1.200 ppm2 8.902 CV 1
OR { 1326}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 74 and name H ))
OR { 1326}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 74 and name H ))
ASSI { 1327}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 75 and name H ))
2.900 1.100 1.100 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.38301E-02 ppm1 1.201 ppm2 8.754 CV 1
OR { 1327}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 75 and name H ))
OR { 1327}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 75 and name H ))
ASSI { 1329}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 70 and name H ))
3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.98951E-03 ppm1 5.304 ppm2 10.024 CV 1
ASSI { 1330}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name H ))
2.800 1.000 1.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.45843E-02 ppm1 0.915 ppm2 10.036 CV 1
OR { 1330}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 70 and name H ))
OR { 1330}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name H ))
ASSI { 1332}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 29 and name H ))
4.100 2.100 1.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.66219E-03 ppm1 0.911 ppm2 9.666 CV 1
OR { 1332}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 29 and name H ))
ASSI { 1333}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 71 and name H ))
3.500 1.600 1.600 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.26553E-02 ppm1 0.915 ppm2 9.363 CV 1
OR { 1333}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 71 and name H ))
ASSI { 1334}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 74 and name H ))
3.800 1.800 1.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.72486E-03 ppm1 0.915 ppm2 8.917 CV 1
OR { 1334}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 74 and name H ))
ASSI { 1337}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 64 and name H ))
4.400 2.400 1.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.51913E-03 ppm1 0.911 ppm2 8.305 CV 1
OR { 1337}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 64 and name H ))
ASSI { 1338}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name H ))
3.700 1.700 1.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.13144E-02 ppm1 0.915 ppm2 8.003 CV 1
OR { 1338}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name H ))
OR { 1338}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name H ))
ASSI { 1339}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 69 and name H ))
2.900 2.900 3.100 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.56966E-03 ppm1 0.915 ppm2 7.819 CV 1
OR { 1339}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 69 and name H ))
OR { 1339}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 69 and name H ))
ASSI { 1340}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 63 and name H ))
3.600 1.600 1.600 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 0.916 ppm2 7.761 CV 1
OR { 1340}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 63 and name H ))
OR { 1340}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 63 and name H ))
ASSI { 1341}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 75 and name H ))
4.200 2.200 1.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.56575E-03 ppm1 0.916 ppm2 8.749 CV 1
OR { 1341}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 75 and name H ))
ASSI { 1342}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name HA ))
2.300 0.600 0.600 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.68779E-02 ppm1 0.915 ppm2 5.302 CV 1
OR { 1342}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name HA ))
OR { 1342}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 70 and name HA ))
ASSI { 1343}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 69 and name HA ))
3.700 1.700 1.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 0.915 ppm2 4.866 CV 1
OR { 1343}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 69 and name HA ))
OR { 1343}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 69 and name HA ))
ASSI { 1344}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 63 and name HA ))
3.200 1.300 1.300 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 0.917 ppm2 4.791 CV 1
OR { 1344}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 63 and name HA ))
ASSI { 1346}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 59 and name HA ))
3.100 1.200 1.200 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 0.915 ppm2 3.922 CV 1
OR { 1346}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 59 and name HA ))
OR { 1346}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 59 and name HA ))
ASSI { 1347}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HA ))
4.000 2.000 2.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 0.916 ppm2 4.279 CV 1
OR { 1347}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HA ))
ASSI { 1349}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 74 and name HG3 ))
3.200 1.300 1.300 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 0.916 ppm2 2.602 CV 1
OR { 1349}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 74 and name HG3 ))
ASSI { 1350}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 63 and name HB3 ))
3.300 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.19287E-02 ppm1 0.914 ppm2 2.427 CV 1
OR { 1350}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 63 and name HB3 ))
ASSI { 1351}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 75 and name HB2 ))
2.600 0.900 0.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.22044E-02 ppm1 1.197 ppm2 3.302 CV 1
OR { 1351}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 75 and name HB2 ))
OR { 1351}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 75 and name HB2 ))
ASSI { 1352}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 75 and name HB3 ))
3.600 1.600 1.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.32428E-02 ppm1 1.199 ppm2 3.000 CV 1
OR { 1352}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 75 and name HB3 ))
OR { 1352}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 75 and name HB3 ))
ASSI { 1354}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 74 and name HA ))
3.600 1.600 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.15897E-02 ppm1 1.200 ppm2 4.011 CV 1
OR { 1354}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 74 and name HA ))
OR { 1354}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 74 and name HA ))
ASSI { 1355}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 75 and name HA ))
2.600 0.800 0.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.32364E-02 ppm1 1.198 ppm2 4.308 CV 1
OR { 1355}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 75 and name HA ))
OR { 1355}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 75 and name HA ))
ASSI { 1356}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 74 and name HG3 ))
3.900 1.900 1.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.13160E-02 ppm1 5.299 ppm2 2.602 CV 1
ASSI { 1357}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 70 and name HB ))
3.100 1.200 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 5.299 ppm2 2.246 CV 1
ASSI { 1358}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 74 and name HB3 ))
3.200 1.300 1.300 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 5.300 ppm2 2.130 CV 1
ASSI { 1359}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 70 and name HG12))
2.700 0.900 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.38973E-02 ppm1 5.299 ppm2 1.191 CV 1
OR { 1359}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 70 and name HG11))
OR { 1359}
(( segid "B " and resid 70 and name HA ))
(( segid "B " and resid 70 and name HG13))
ASSI { 1361}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 70 and name HB ))
2.100 0.600 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.73525E-02 ppm1 0.915 ppm2 2.252 CV 1
OR { 1361}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name HB ))
OR { 1361}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name HB ))
ASSI { 1363}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 59 and name HE1 ))
2.100 0.500 0.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.10931E-01 ppm1 0.915 ppm2 1.969 CV 1
OR { 1363}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 59 and name HE1 ))
OR { 1363}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 59 and name HE1 ))
OR { 1363}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 59 and name HE3 ))
OR { 1363}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 59 and name HE3 ))
OR { 1363}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 59 and name HE2 ))
OR { 1363}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 59 and name HE3 ))
ASSI { 1364}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HG ))
3.400 1.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.10751E-02 ppm1 0.916 ppm2 1.811 CV 1
OR { 1364}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name HG ))
OR { 1364}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HG ))
ASSI { 1365}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HB2 ))
2.200 0.600 0.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.41617E-02 ppm1 0.915 ppm2 1.676 CV 1
OR { 1365}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HB2 ))
OR { 1365}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name HB2 ))
ASSI { 1366}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HB2 ))
3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.12917E-02 ppm1 1.197 ppm2 1.681 CV 1
OR { 1366}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HB2 ))
OR { 1366}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 62 and name HB2 ))
ASSI { 1367}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.36848E-02 ppm1 0.915 ppm2 1.376 CV 1
OR { 1367}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HB3 ))
OR { 1367}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name HB3 ))
ASSI { 1368}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name HG13))
2.100 0.600 0.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.17425E-01 ppm1 0.915 ppm2 1.199 CV 1
OR { 1368}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name HG12))
OR { 1368}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 70 and name HG11))
OR { 1368}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 70 and name HG13))
OR { 1368}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name HG13))
OR { 1368}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name HG12))
OR { 1368}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 70 and name HG12))
OR { 1368}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 70 and name HG11))
ASSI { 1369}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD21))
2.900 1.100 1.100 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.52956E-02 ppm1 0.916 ppm2 0.412 CV 1
OR { 1369}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD22))
OR { 1369}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD23))
OR { 1369}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name HD22))
OR { 1369}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HD21))
OR { 1369}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 62 and name HD21))
OR { 1369}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HD22))
OR { 1369}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HD23))
ASSI { 1370}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD11))
3.600 1.600 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.23432E-02 ppm1 0.916 ppm2 0.556 CV 1
OR { 1370}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD13))
OR { 1370}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HD11))
OR { 1370}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 62 and name HD12))
OR { 1370}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 62 and name HD13))
ASSI { 1371}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD22))
3.600 1.600 1.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.25187E-02 ppm1 1.201 ppm2 0.412 CV 1
OR { 1371}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD21))
OR { 1371}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD22))
OR { 1371}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD21))
OR { 1371}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 62 and name HD22))
OR { 1371}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 62 and name HD21))
OR { 1371}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD23))
OR { 1371}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD23))
ASSI { 1372}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD11))
3.800 1.800 1.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.16938E-02 ppm1 1.200 ppm2 0.556 CV 1
OR { 1372}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD11))
OR { 1372}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 62 and name HD11))
OR { 1372}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD13))
OR { 1372}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD13))
OR { 1372}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 62 and name HD13))
OR { 1372}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 62 and name HD12))
OR { 1372}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 62 and name HD12))
ASSI { 1373}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 29 and name HD11))
3.400 3.400 2.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 0.914 ppm2 0.726 CV 1
OR { 1373}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 29 and name HD13))
OR { 1373}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 29 and name HD13))
OR { 1373}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 29 and name HD11))
OR { 1373}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 29 and name HD12))
ASSI { 1374}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 29 and name HD13))
2.800 2.800 3.200 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.66481E-02 ppm1 1.200 ppm2 0.734 CV 1
OR { 1374}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 29 and name HD11))
OR { 1374}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 29 and name HD11))
OR { 1374}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 29 and name HD13))
OR { 1374}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 29 and name HD13))
OR { 1374}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 29 and name HD11))
OR { 1374}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 29 and name HD12))
ASSI { 1375}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 70 and name HG21))
2.100 0.500 0.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.17844E-01 ppm1 1.200 ppm2 0.909 CV 1
OR { 1375}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 70 and name HG21))
OR { 1375}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 70 and name HG21))
OR { 1375}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 70 and name HG23))
OR { 1375}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 70 and name HG23))
OR { 1375}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 70 and name HG22))
OR { 1375}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 70 and name HG22))
OR { 1375}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 70 and name HG23))
ASSI { 1376}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 70 and name HG11))
2.500 0.800 0.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 2.247 ppm2 1.194 CV 1
OR { 1376}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 70 and name HG13))
OR { 1376}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 70 and name HG12))
ASSI { 1378}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 29 and name HD13))
3.700 1.700 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.10745E-02 ppm1 2.249 ppm2 0.745 CV 1
OR { 1378}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 29 and name HD11))
OR { 1378}
(( segid "B " and resid 70 and name HB ))
(( segid "B " and resid 29 and name HD12))
ASSI { 1381}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 70 and name H ))
2.400 0.700 0.700 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.25881E-02 ppm1 4.835 ppm2 9.996 CV 1
ASSI { 1384}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 69 and name HA ))
3.700 1.700 1.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.77535E-03 ppm1 1.476 ppm2 4.826 CV 1
ASSI { 1385}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 69 and name HB3 ))
2.100 0.600 0.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.29978E-02 ppm1 1.476 ppm2 2.152 CV 1
ASSI { 1386}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 28 and name HD2 ))
3.600 1.600 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.94789E-03 ppm1 1.471 ppm2 1.714 CV 1
OR { 1386}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 28 and name HB2 ))
OR { 1386}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 28 and name HB3 ))
ASSI { 1389}
(( segid "A " and resid 69 and name HG3 ))
(( segid "A " and resid 69 and name H ))
3.400 1.400 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.92058E-03 ppm1 2.182 ppm2 7.828 CV 1
ASSI { 1390}
(( segid "B " and resid 69 and name HA ))
(( segid "B " and resid 70 and name H ))
2.400 0.700 0.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.27767E-02 ppm1 4.871 ppm2 10.033 CV 1
ASSI { 1392}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 68 and name H ))
2.300 0.600 0.600 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.62406E-02 ppm1 4.131 ppm2 10.398 CV 1
ASSI { 1396}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 68 and name HA ))
2.700 0.900 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.73742E-02 ppm1 3.201 ppm2 4.144 CV 1
ASSI { 1397}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 68 and name HA ))
2.100 0.600 0.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.99668E-02 ppm1 3.125 ppm2 4.144 CV 1
ASSI { 1399}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 69 and name HG2 ))
4.000 2.000 2.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 3.199 ppm2 2.155 CV 1
OR { 1399}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 1400}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 69 and name HG3 ))
3.700 1.700 1.700 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.13959E-02 ppm1 3.126 ppm2 2.168 CV 1
OR { 1400}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 1401}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 69 and name HG3 ))
3.600 1.600 1.600 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.12381E-02 ppm1 4.143 ppm2 2.182 CV 1
ASSI { 1407}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 68 and name HD22))
3.600 1.700 1.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 3.202 ppm2 6.839 CV 1
ASSI { 1408}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 68 and name HD22))
3.400 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.38172E-02 ppm1 3.125 ppm2 6.838 CV 1
ASSI { 1409}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 68 and name HD21))
2.900 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 3.198 ppm2 7.498 CV 1
ASSI { 1410}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 68 and name HD21))
2.400 0.700 0.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.47125E-02 ppm1 3.125 ppm2 7.505 CV 1
ASSI { 1411}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 69 and name H ))
3.600 1.600 1.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 3.198 ppm2 7.847 CV 1
ASSI { 1412}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 69 and name H ))
3.800 1.800 1.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 3.123 ppm2 7.847 CV 1
ASSI { 1413}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 68 and name H ))
3.300 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.18715E-02 ppm1 3.195 ppm2 10.399 CV 1
ASSI { 1414}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 68 and name H ))
3.800 1.800 1.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.18975E-02 ppm1 3.123 ppm2 10.393 CV 1
ASSI { 1416}
(( segid "B " and resid 68 and name HA ))
(( segid "B " and resid 67 and name H ))
4.200 2.200 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 4.155 ppm2 8.736 CV 1
ASSI { 1417}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 67 and name H ))
4.400 2.500 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16628E-02 ppm1 4.128 ppm2 8.603 CV 1
ASSI { 1418}
(( segid "B " and resid 68 and name HA ))
(( segid "B " and resid 68 and name H ))
2.100 0.500 0.500 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.63988E-02 ppm1 4.154 ppm2 10.285 CV 1
ASSI { 1419}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 68 and name H ))
3.200 1.300 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.18947E-02 ppm1 3.210 ppm2 10.284 CV 1
ASSI { 1420}
(( segid "B " and resid 68 and name HB3 ))
(( segid "B " and resid 68 and name H ))
3.500 1.500 1.500 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.23432E-02 ppm1 3.130 ppm2 10.285 CV 1
ASSI { 1421}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 69 and name H ))
3.600 1.600 1.600 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 3.211 ppm2 7.827 CV 1
ASSI { 1422}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 68 and name HD21))
3.400 1.400 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.33771E-02 ppm1 3.214 ppm2 7.517 CV 1
ASSI { 1423}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 68 and name HD22))
4.100 2.100 1.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.23995E-02 ppm1 3.216 ppm2 6.844 CV 1
ASSI { 1424}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 68 and name HA ))
2.600 0.900 0.900 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.57550E-02 ppm1 3.216 ppm2 4.160 CV 1
ASSI { 1426}
(( segid "B " and resid 68 and name HA ))
(( segid "B " and resid 68 and name HB3 ))
2.200 0.600 0.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.55752E-02 ppm1 4.157 ppm2 3.126 CV 1
ASSI { 1427}
(( segid "B " and resid 68 and name HB2 ))
(( segid "B " and resid 69 and name HG2 ))
3.300 1.300 1.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.97259E-03 ppm1 3.210 ppm2 2.166 CV 1
ASSI { 1435}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 68 and name H ))
3.400 1.400 1.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 4.812 ppm2 10.400 CV 1
ASSI { 1441}
(( segid "B " and resid 67 and name HA ))
(( segid "B " and resid 68 and name H ))
3.300 1.400 1.400 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 4.821 ppm2 10.287 CV 1
ASSI { 1442}
(( segid "A " and resid 66 and name HA ))
(( segid "A " and resid 67 and name H ))
2.500 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 4.163 ppm2 8.605 CV 1
ASSI { 1443}
(( segid "A " and resid 66 and name HA ))
(( segid "A " and resid 68 and name H ))
3.500 1.600 1.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 4.159 ppm2 10.396 CV 1
ASSI { 1445}
(( segid "A " and resid 66 and name HB2 ))
(( segid "A " and resid 66 and name H ))
3.600 1.600 1.600 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.82846E-03 ppm1 2.046 ppm2 7.786 CV 1
ASSI { 1446}
(( segid "A " and resid 66 and name HG2 ))
(( segid "A " and resid 66 and name H ))
3.400 1.400 1.400 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 1.702 ppm2 7.786 CV 1
ASSI { 1447}
(( segid "A " and resid 66 and name HG3 ))
(( segid "A " and resid 66 and name H ))
3.900 1.900 1.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 1.621 ppm2 7.785 CV 1
ASSI { 1448}
(( segid "A " and resid 66 and name HD2 ))
(( segid "A " and resid 66 and name H ))
3.100 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.22565E-02 ppm1 3.343 ppm2 7.786 CV 1
ASSI { 1449}
(( segid "A " and resid 66 and name HD3 ))
(( segid "A " and resid 66 and name H ))
3.400 1.500 1.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.18295E-02 ppm1 3.251 ppm2 7.790 CV 1
ASSI { 1451}
(( segid "A " and resid 66 and name HA ))
(( segid "A " and resid 66 and name HD2 ))
2.600 0.900 0.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.17187E-02 ppm1 4.164 ppm2 3.339 CV 1
ASSI { 1453}
(( segid "A " and resid 66 and name HG2 ))
(( segid "A " and resid 66 and name HA ))
3.400 1.400 1.400 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 1.700 ppm2 4.164 CV 1
ASSI { 1454}
(( segid "A " and resid 66 and name HG2 ))
(( segid "A " and resid 66 and name HD2 ))
3.100 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 1.705 ppm2 3.343 CV 1
ASSI { 1456}
(( segid "A " and resid 66 and name HD3 ))
(( segid "A " and resid 66 and name HA ))
3.300 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 3.250 ppm2 4.156 CV 1
ASSI { 1459}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 66 and name HG2 ))
2.600 0.800 0.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.37023E-02 ppm1 4.156 ppm2 1.631 CV 1
ASSI { 1460}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 66 and name HB3 ))
2.500 0.800 0.800 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.50961E-02 ppm1 4.159 ppm2 2.046 CV 1
OR { 1460}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 66 and name HB2 ))
ASSI { 1462}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 65 and name H ))
4.800 2.900 1.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 4.152 ppm2 8.181 CV 1
ASSI { 1464}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 67 and name H ))
2.600 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.25036E-02 ppm1 4.151 ppm2 8.737 CV 1
ASSI { 1468}
(( segid "B " and resid 66 and name HD2 ))
(( segid "B " and resid 66 and name H ))
3.900 1.900 1.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 3.316 ppm2 7.692 CV 1
ASSI { 1469}
(( segid "B " and resid 66 and name HD3 ))
(( segid "B " and resid 66 and name H ))
3.900 1.900 1.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 3.290 ppm2 7.690 CV 1
ASSI { 1473}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 68 and name H ))
3.600 1.600 1.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 4.154 ppm2 10.283 CV 1
ASSI { 1474}
(( segid "A " and resid 65 and name HB2 ))
(( segid "A " and resid 65 and name HB3 ))
2.200 0.600 0.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.36677E-02 ppm1 3.309 ppm2 2.825 CV 1
ASSI { 1475}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 65 and name HB3 ))
2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.44284E-02 ppm1 4.855 ppm2 2.822 CV 1
ASSI { 1482}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 65 and name HD21))
4.300 2.300 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.61886E-03 ppm1 4.854 ppm2 7.851 CV 1
ASSI { 1483}
(( segid "A " and resid 65 and name HB2 ))
(( segid "A " and resid 65 and name HD21))
3.100 1.200 1.200 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 3.303 ppm2 7.847 CV 1
ASSI { 1484}
(( segid "A " and resid 65 and name HB3 ))
(( segid "A " and resid 65 and name HD21))
3.500 1.500 1.500 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 2.825 ppm2 7.851 CV 1
ASSI { 1486}
(( segid "A " and resid 65 and name HB3 ))
(( segid "A " and resid 65 and name HD22))
5.100 3.200 0.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.44261E-03 ppm1 2.817 ppm2 6.655 CV 1
ASSI { 1487}
(( segid "A " and resid 65 and name HB2 ))
(( segid "A " and resid 65 and name HD22))
4.500 2.500 1.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.87505E-03 ppm1 3.305 ppm2 6.644 CV 1
ASSI { 1488}
(( segid "B " and resid 65 and name HA ))
(( segid "B " and resid 65 and name HB3 ))
2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.42573E-02 ppm1 4.880 ppm2 2.902 CV 1
ASSI { 1489}
(( segid "B " and resid 65 and name HB2 ))
(( segid "B " and resid 65 and name HB3 ))
2.200 0.600 0.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.35615E-02 ppm1 3.327 ppm2 2.903 CV 1
ASSI { 1492}
(( segid "B " and resid 65 and name HB3 ))
(( segid "B " and resid 65 and name HD22))
4.200 2.200 1.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 2.898 ppm2 6.630 CV 1
ASSI { 1494}
(( segid "B " and resid 65 and name HB3 ))
(( segid "B " and resid 66 and name H ))
4.200 2.200 1.800 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.80460E-03 ppm1 2.888 ppm2 7.697 CV 1
ASSI { 1495}
(( segid "B " and resid 65 and name HB3 ))
(( segid "B " and resid 65 and name HD21))
3.400 1.400 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 2.906 ppm2 7.828 CV 1
ASSI { 1498}
(( segid "B " and resid 65 and name HB2 ))
(( segid "B " and resid 65 and name HD21))
3.100 1.200 1.200 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.18316E-02 ppm1 3.319 ppm2 7.838 CV 1
ASSI { 1500}
(( segid "B " and resid 65 and name HA ))
(( segid "B " and resid 65 and name HD21))
3.400 1.400 1.400 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.14501E-02 ppm1 4.875 ppm2 7.834 CV 1
ASSI { 1506}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name H ))
3.200 1.300 1.300 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.54060E-02 ppm1 4.063 ppm2 8.255 CV 1
ASSI { 1507}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name H ))
2.100 0.600 0.600 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.57095E-02 ppm1 3.995 ppm2 8.255 CV 1
ASSI { 1508}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 65 and name H ))
3.900 1.900 1.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.21112E-02 ppm1 4.064 ppm2 8.020 CV 1
ASSI { 1509}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 65 and name H ))
3.300 1.300 1.300 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 3.994 ppm2 8.019 CV 1
ASSI { 1511}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HD21))
3.300 3.300 2.700 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.13272E-02 ppm1 3.995 ppm2 7.829 CV 1
ASSI { 1512}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HD22))
3.200 3.200 2.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.11898E-02 ppm1 3.995 ppm2 7.434 CV 1
ASSI { 1513}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HD22))
3.800 3.800 2.200 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 4.063 ppm2 7.429 CV 1
ASSI { 1516}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HA ))
2.300 0.600 0.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.68931E-02 ppm1 4.064 ppm2 4.351 CV 1
ASSI { 1517}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1908 and name HA ))
2.800 1.000 1.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.19248E-02 ppm1 4.063 ppm2 4.459 CV 1
ASSI { 1518}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HA ))
2.700 0.900 0.900 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.71963E-02 ppm1 3.995 ppm2 4.351 CV 1
ASSI { 1519}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
3.400 1.500 1.500 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 3.996 ppm2 4.458 CV 1
ASSI { 1520}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HB2 ))
3.400 1.500 1.500 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 4.065 ppm2 3.161 CV 1
ASSI { 1522}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 65 and name HB3 ))
3.800 1.800 1.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.64466E-03 ppm1 4.064 ppm2 2.827 CV 1
ASSI { 1523}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HB3 ))
3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.11295E-02 ppm1 4.065 ppm2 2.694 CV 1
ASSI { 1524}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HB2 ))
3.300 1.400 1.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13157E-02 ppm1 3.998 ppm2 3.153 CV 1
ASSI { 1526}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 65 and name HB3 ))
4.000 2.000 2.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.74956E-03 ppm1 3.998 ppm2 2.827 CV 1
ASSI { 1527}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HB3 ))
3.300 1.300 1.300 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.13162E-02 ppm1 3.994 ppm2 2.693 CV 1
ASSI { 1528}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 74 and name HG2 ))
4.000 2.000 2.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.92665E-03 ppm1 3.995 ppm2 2.612 CV 1
ASSI { 1529}
(( segid "A " and resid 64 and name HB2 ))
( segid "C " and resid 1907 and name HB% )
4.500 2.600 1.500 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.43874E-03 ppm1 4.059 ppm2 1.643 CV 1
ASSI { 1530}
(( segid "A " and resid 64 and name HB3 ))
( segid "C " and resid 1907 and name HB% )
4.400 2.500 1.600 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.52175E-03 ppm1 3.996 ppm2 1.648 CV 1
ASSI { 1533}
(( segid "B " and resid 64 and name HA ))
(( segid "B " and resid 66 and name H ))
3.400 1.400 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.13079E-02 ppm1 4.322 ppm2 7.688 CV 1
ASSI { 1534}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 65 and name H ))
3.400 1.500 1.500 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.17375E-02 ppm1 4.124 ppm2 8.179 CV 1
ASSI { 1535}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 64 and name H ))
2.500 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.40164E-02 ppm1 4.125 ppm2 8.310 CV 1
ASSI { 1536}
(( segid "B " and resid 64 and name HB3 ))
(( segid "B " and resid 64 and name H ))
3.300 1.300 1.300 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.37975E-02 ppm1 4.025 ppm2 8.309 CV 1
ASSI { 1537}
(( segid "B " and resid 64 and name HB3 ))
(( segid "B " and resid 65 and name H ))
3.500 1.600 1.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.16712E-02 ppm1 4.027 ppm2 8.176 CV 1
ASSI { 1538}
(( segid "B " and resid 64 and name HA ))
(( segid "B " and resid 64 and name HB3 ))
2.500 0.800 0.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.71898E-02 ppm1 4.323 ppm2 4.026 CV 1
ASSI { 1540}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 64 and name HA ))
2.400 0.700 0.700 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.10847E-01 ppm1 4.126 ppm2 4.324 CV 1
ASSI { 1541}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 64 and name HB3 ))
1.600 0.300 0.600 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.27550E-01 ppm1 4.125 ppm2 4.026 CV 1
ASSI { 1546}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 63 and name HA ))
3.300 1.300 1.300 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.15047E-02 ppm1 2.933 ppm2 4.779 CV 1
ASSI { 1547}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 63 and name HA ))
3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.67391E-03 ppm1 2.442 ppm2 4.775 CV 1
ASSI { 1548}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 63 and name HB2 ))
2.200 0.600 0.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.28807E-02 ppm1 2.447 ppm2 2.930 CV 1
ASSI { 1549}
(( segid "B " and resid 63 and name HB2 ))
(( segid "B " and resid 63 and name HA ))
3.400 1.400 1.400 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.66351E-03 ppm1 2.915 ppm2 4.787 CV 1
ASSI { 1550}
(( segid "B " and resid 63 and name HB3 ))
(( segid "B " and resid 63 and name HA ))
3.700 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.83321E-03 ppm1 2.414 ppm2 4.787 CV 1
ASSI { 1551}
(( segid "B " and resid 63 and name HB3 ))
(( segid "B " and resid 63 and name HB2 ))
2.200 0.600 0.600 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.31127E-02 ppm1 2.414 ppm2 2.916 CV 1
ASSI { 1556}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name H ))
3.100 1.200 1.200 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.13589E-02 ppm1 4.335 ppm2 7.716 CV 1
ASSI { 1559}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name H ))
4.300 2.300 1.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.70210E-03 ppm1 1.273 ppm2 7.715 CV 1
ASSI { 1561}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 62 and name HA ))
3.500 1.500 1.500 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.75130E-03 ppm1 1.789 ppm2 4.334 CV 1
ASSI { 1564}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HG ))
2.900 1.100 1.100 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.82630E-03 ppm1 4.332 ppm2 2.051 CV 1
ASSI { 1566}
(( segid "A " and resid 62 and name HA ))
( segid "C " and resid 1907 and name HB% )
2.900 1.100 1.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 4.332 ppm2 1.645 CV 1
ASSI { 1567}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 4.326 ppm2 1.273 CV 1
ASSI { 1571}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 62 and name HB3 ))
2.200 0.600 0.600 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 1.794 ppm2 1.279 CV 1
ASSI { 1578}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HG ))
2.900 1.000 1.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.55145E-03 ppm1 1.273 ppm2 2.054 CV 1
ASSI { 1579}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 62 and name HB2 ))
3.500 1.600 1.600 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.51806E-03 ppm1 2.050 ppm2 1.788 CV 1
ASSI { 1584}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HD11))
3.800 1.800 1.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.92600E-03 ppm1 1.271 ppm2 0.923 CV 1
OR { 1584}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HD13))
OR { 1584}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HD12))
ASSI { 1586}
(( segid "A " and resid 62 and name HD13))
( segid "C " and resid 1904 and name HG2%)
2.300 0.700 0.700 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.83408E-02 ppm1 0.925 ppm2 1.486 CV 1
OR { 1586}
(( segid "A " and resid 62 and name HD12))
( segid "C " and resid 1904 and name HG2%)
OR { 1586}
(( segid "A " and resid 62 and name HD11))
( segid "C " and resid 1904 and name HG2%)
ASSI { 1587}
(( segid "A " and resid 62 and name HD13))
( segid "C " and resid 1907 and name HB% )
2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.84190E-02 ppm1 0.925 ppm2 1.646 CV 1
OR { 1587}
(( segid "A " and resid 62 and name HD11))
( segid "C " and resid 1907 and name HB% )
OR { 1587}
(( segid "A " and resid 62 and name HD12))
( segid "C " and resid 1907 and name HB% )
ASSI { 1588}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 62 and name HB2 ))
2.600 0.800 0.800 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.30411E-02 ppm1 0.929 ppm2 1.796 CV 1
OR { 1588}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 62 and name HB2 ))
OR { 1588}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 62 and name HB2 ))
ASSI { 1589}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 62 and name HG ))
2.100 0.600 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.58483E-02 ppm1 0.924 ppm2 2.051 CV 1
OR { 1589}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 62 and name HG ))
OR { 1589}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 62 and name HG ))
ASSI { 1590}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 61 and name HB3 ))
3.100 1.200 1.200 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.17590E-02 ppm1 0.925 ppm2 2.907 CV 1
OR { 1590}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 61 and name HB3 ))
OR { 1590}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 61 and name HB3 ))
ASSI { 1591}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 61 and name HB2 ))
3.400 1.500 1.500 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.90434E-03 ppm1 0.925 ppm2 3.144 CV 1
OR { 1591}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 61 and name HB2 ))
OR { 1591}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 61 and name HB2 ))
ASSI { 1592}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 81 and name HB2 ))
4.700 2.800 1.300 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.61105E-03 ppm1 0.918 ppm2 3.306 CV 1
OR { 1592}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 81 and name HB2 ))
OR { 1592}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 81 and name HB2 ))
ASSI { 1593}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 78 and name HB3 ))
3.800 1.800 1.800 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.35786E-02 ppm1 0.925 ppm2 3.458 CV 1
OR { 1593}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 78 and name HB3 ))
OR { 1593}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 78 and name HB3 ))
ASSI { 1594}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 58 and name HA ))
3.000 1.100 1.100 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.23735E-02 ppm1 0.925 ppm2 3.853 CV 1
OR { 1594}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 58 and name HA ))
OR { 1594}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 58 and name HA ))
ASSI { 1596}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 62 and name HA ))
2.300 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.94008E-02 ppm1 0.928 ppm2 4.316 CV 1
OR { 1596}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 62 and name HA ))
OR { 1596}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 62 and name HA ))
ASSI { 1597}
(( segid "A " and resid 62 and name HD13))
(( segid "C " and resid 1904 and name HB ))
2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.18249E-02 ppm1 0.927 ppm2 4.747 CV 1
OR { 1597}
(( segid "A " and resid 62 and name HD12))
(( segid "C " and resid 1904 and name HB ))
OR { 1597}
(( segid "A " and resid 62 and name HD11))
(( segid "C " and resid 1904 and name HB ))
ASSI { 1600}
(( segid "A " and resid 62 and name HD12))
( segid "A " and resid 78 and name HE% )
3.900 1.900 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.14146E-02 ppm1 0.925 ppm2 7.029 CV 1
OR { 1600}
(( segid "A " and resid 62 and name HD13))
( segid "A " and resid 78 and name HE% )
OR { 1600}
(( segid "A " and resid 62 and name HD11))
( segid "A " and resid 78 and name HE% )
ASSI { 1601}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 62 and name H ))
2.700 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.32059E-02 ppm1 0.924 ppm2 7.712 CV 1
OR { 1601}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 62 and name H ))
OR { 1601}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 62 and name H ))
ASSI { 1602}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 78 and name H ))
3.800 1.800 1.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.26206E-02 ppm1 0.926 ppm2 8.243 CV 1
OR { 1602}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 78 and name H ))
OR { 1602}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 78 and name H ))
ASSI { 1603}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HD13))
2.100 0.500 0.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.16938E-01 ppm1 0.288 ppm2 0.917 CV 1
OR { 1603}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HD11))
OR { 1603}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HD12))
OR { 1603}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HD12))
OR { 1603}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HD12))
OR { 1603}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HD11))
OR { 1603}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HD13))
OR { 1603}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HD13))
ASSI { 1605}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HD11))
2.100 0.500 0.500 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.16619E-01 ppm1 0.291 ppm2 0.773 CV 1
OR { 1605}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name HD11))
OR { 1605}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HD12))
OR { 1605}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HD11))
OR { 1605}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HD12))
OR { 1605}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name HD12))
OR { 1605}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HD13))
OR { 1605}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HD13))
ASSI { 1607}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HB3 ))
2.300 0.700 0.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.68085E-02 ppm1 0.288 ppm2 1.257 CV 1
OR { 1607}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HB3 ))
OR { 1607}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HB3 ))
ASSI { 1608}
(( segid "A " and resid 62 and name HD21))
( segid "C " and resid 1904 and name HG2%)
3.500 1.600 1.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.28851E-02 ppm1 0.288 ppm2 1.487 CV 1
OR { 1608}
(( segid "A " and resid 62 and name HD23))
( segid "C " and resid 1904 and name HG2%)
OR { 1608}
(( segid "A " and resid 62 and name HD22))
( segid "C " and resid 1904 and name HG2%)
ASSI { 1612}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HB2 ))
2.400 0.700 0.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.46040E-02 ppm1 0.289 ppm2 1.794 CV 1
OR { 1612}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HB2 ))
OR { 1612}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HB2 ))
ASSI { 1613}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HG ))
2.100 0.600 0.600 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.61993E-02 ppm1 0.289 ppm2 2.051 CV 1
OR { 1613}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HG ))
OR { 1613}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HG ))
ASSI { 1621}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 78 and name HB3 ))
3.400 1.500 1.500 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.21849E-02 ppm1 0.288 ppm2 3.465 CV 1
OR { 1621}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 78 and name HB3 ))
OR { 1621}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 78 and name HB3 ))
ASSI { 1622}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 20 and name HA ))
2.900 1.100 1.100 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.65396E-02 ppm1 0.288 ppm2 3.550 CV 1
OR { 1622}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 20 and name HA ))
OR { 1622}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 20 and name HA ))
ASSI { 1624}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 59 and name HA ))
2.800 1.000 1.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.29566E-02 ppm1 0.289 ppm2 3.868 CV 1
OR { 1624}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 59 and name HA ))
OR { 1624}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 59 and name HA ))
ASSI { 1625}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name HA ))
3.600 1.600 1.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.29176E-02 ppm1 0.289 ppm2 4.341 CV 1
OR { 1625}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name HA ))
OR { 1625}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name HA ))
ASSI { 1626}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 78 and name HA ))
4.000 2.000 2.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.15121E-02 ppm1 0.288 ppm2 4.285 CV 1
OR { 1626}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 78 and name HA ))
OR { 1626}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 78 and name HA ))
ASSI { 1627}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name HA ))
3.300 1.300 1.300 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.36719E-02 ppm1 0.290 ppm2 5.253 CV 1
OR { 1627}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HA ))
OR { 1627}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HA ))
ASSI { 1631}
(( segid "A " and resid 62 and name HD21))
( segid "A " and resid 78 and name HE% )
3.400 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 0.289 ppm2 7.027 CV 1
OR { 1631}
(( segid "A " and resid 62 and name HD23))
( segid "A " and resid 78 and name HE% )
OR { 1631}
(( segid "A " and resid 62 and name HD22))
( segid "A " and resid 78 and name HE% )
ASSI { 1634}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 62 and name H ))
3.600 1.600 1.600 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 0.288 ppm2 7.713 CV 1
OR { 1634}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 62 and name H ))
OR { 1634}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 62 and name H ))
ASSI { 1637}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 78 and name H ))
4.600 2.600 1.400 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 0.289 ppm2 8.242 CV 1
OR { 1637}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 78 and name H ))
OR { 1637}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 78 and name H ))
ASSI { 1641}
(( segid "A " and resid 62 and name HD11))
(( segid "A " and resid 63 and name H ))
4.400 2.400 1.600 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.86204E-03 ppm1 0.927 ppm2 7.862 CV 1
OR { 1641}
(( segid "A " and resid 62 and name HD13))
(( segid "A " and resid 63 and name H ))
OR { 1641}
(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 63 and name H ))
ASSI { 1647}
(( segid "B " and resid 62 and name HB2 ))
(( segid "B " and resid 62 and name HB3 ))
2.100 0.500 0.500 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 1.674 ppm2 1.376 CV 1
ASSI { 1652}
(( segid "B " and resid 62 and name HB3 ))
(( segid "B " and resid 62 and name HG ))
2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.79747E-03 ppm1 1.370 ppm2 1.808 CV 1
ASSI { 1664}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HD23))
2.000 0.500 0.500 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.16428E-01 ppm1 0.556 ppm2 0.412 CV 1
OR { 1664}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HD21))
OR { 1664}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HD22))
OR { 1664}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HD23))
OR { 1664}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HD22))
OR { 1664}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HD21))
OR { 1664}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HD23))
OR { 1664}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HD22))
ASSI { 1665}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD2%)
2.100 0.500 0.500 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.10359E-01 ppm1 0.556 ppm2 1.018 CV 1
OR { 1665}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD2%)
OR { 1665}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD2%)
ASSI { 1668}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD1%)
2.000 0.500 0.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.12269E-01 ppm1 0.556 ppm2 1.189 CV 1
OR { 1668}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD1%)
OR { 1668}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD1%)
ASSI { 1669}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HB3 ))
2.400 0.700 0.700 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.41878E-02 ppm1 0.556 ppm2 1.380 CV 1
OR { 1669}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HB3 ))
OR { 1669}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HB3 ))
ASSI { 1670}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HG ))
1.900 0.500 0.500 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.95461E-02 ppm1 0.556 ppm2 1.813 CV 1
OR { 1670}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HG ))
OR { 1670}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HG ))
ASSI { 1671}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.39473E-02 ppm1 0.556 ppm2 1.675 CV 1
OR { 1671}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HB2 ))
OR { 1671}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HB2 ))
ASSI { 1673}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 61 and name HB3 ))
3.300 1.300 1.300 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 0.557 ppm2 2.320 CV 1
OR { 1673}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 61 and name HB3 ))
OR { 1673}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 61 and name HB3 ))
ASSI { 1674}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 81 and name HB3 ))
4.400 2.400 1.600 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.84838E-03 ppm1 0.556 ppm2 2.579 CV 1
OR { 1674}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 81 and name HB3 ))
OR { 1674}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 81 and name HG ))
OR { 1674}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 81 and name HB3 ))
OR { 1674}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 81 and name HG ))
OR { 1674}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 81 and name HG ))
ASSI { 1675}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 61 and name HB2 ))
4.200 2.200 1.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.79292E-03 ppm1 0.556 ppm2 2.873 CV 1
OR { 1675}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 61 and name HB2 ))
OR { 1675}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 61 and name HB2 ))
ASSI { 1681}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 62 and name HB3 ))
2.900 1.000 1.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.62687E-02 ppm1 0.414 ppm2 1.389 CV 1
OR { 1681}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 62 and name HB3 ))
OR { 1681}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 62 and name HB3 ))
ASSI { 1682}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HG ))
2.400 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.49921E-02 ppm1 0.415 ppm2 1.424 CV 1
OR { 1682}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HG ))
OR { 1682}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HG ))
ASSI { 1684}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 59 and name HE1 ))
3.800 1.800 1.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 0.413 ppm2 1.972 CV 1
OR { 1684}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 59 and name HE1 ))
OR { 1684}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 59 and name HE1 ))
OR { 1684}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 59 and name HE2 ))
OR { 1684}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 59 and name HE2 ))
OR { 1684}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 59 and name HE2 ))
OR { 1684}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 59 and name HE3 ))
OR { 1684}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 59 and name HE3 ))
OR { 1684}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 59 and name HE3 ))
ASSI { 1686}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 62 and name HG ))
2.000 0.500 0.500 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.86834E-02 ppm1 0.414 ppm2 1.810 CV 1
OR { 1686}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 62 and name HG ))
OR { 1686}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 62 and name HG ))
ASSI { 1687}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 62 and name HB2 ))
2.300 0.700 0.700 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 0.414 ppm2 1.675 CV 1
OR { 1687}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 62 and name HB2 ))
OR { 1687}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 62 and name HB2 ))
ASSI { 1688}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 74 and name HG3 ))
4.500 2.600 1.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.73070E-03 ppm1 0.412 ppm2 2.594 CV 1
OR { 1688}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 74 and name HG3 ))
OR { 1688}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 74 and name HG3 ))
ASSI { 1689}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 61 and name HB3 ))
3.400 1.400 1.400 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.65874E-03 ppm1 0.419 ppm2 2.322 CV 1
OR { 1689}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 61 and name HB3 ))
OR { 1689}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 61 and name HB3 ))
ASSI { 1690}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HB ))
4.200 2.200 1.800 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.75130E-03 ppm1 0.415 ppm2 2.256 CV 1
OR { 1690}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HB ))
OR { 1690}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 70 and name HB ))
ASSI { 1692}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 61 and name HB2 ))
3.500 1.600 1.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.62406E-03 ppm1 0.416 ppm2 2.881 CV 1
OR { 1692}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 61 and name HB2 ))
OR { 1692}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 61 and name HB2 ))
ASSI { 1693}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 78 and name HB2 ))
2.300 0.700 0.700 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 0.556 ppm2 3.400 CV 1
OR { 1693}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 78 and name HB2 ))
OR { 1693}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 78 and name HB2 ))
ASSI { 1694}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 78 and name HB3 ))
3.500 1.500 1.500 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.33923E-02 ppm1 0.556 ppm2 3.240 CV 1
OR { 1694}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 78 and name HB3 ))
OR { 1694}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 78 and name HB3 ))
ASSI { 1695}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 78 and name HB2 ))
4.300 2.300 1.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.83757E-03 ppm1 0.413 ppm2 3.399 CV 1
OR { 1695}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 78 and name HB2 ))
OR { 1695}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 78 and name HB2 ))
ASSI { 1696}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 78 and name HB3 ))
4.500 2.500 1.500 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.15982E-02 ppm1 0.414 ppm2 3.239 CV 1
OR { 1696}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 78 and name HB3 ))
OR { 1696}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 78 and name HB3 ))
ASSI { 1697}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name HA ))
2.000 0.500 0.500 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.10335E-01 ppm1 0.556 ppm2 4.270 CV 1
OR { 1697}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name HA ))
OR { 1697}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name HA ))
ASSI { 1701}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 59 and name HA ))
3.000 1.200 1.200 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.20965E-02 ppm1 0.415 ppm2 3.924 CV 1
OR { 1701}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 59 and name HA ))
OR { 1701}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 59 and name HA ))
ASSI { 1702}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 78 and name HA ))
2.700 0.900 0.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.28287E-02 ppm1 0.556 ppm2 4.328 CV 1
OR { 1702}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 78 and name HA ))
OR { 1702}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 78 and name HA ))
ASSI { 1703}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 62 and name HA ))
2.900 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.38453E-02 ppm1 0.414 ppm2 4.273 CV 1
OR { 1703}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 62 and name HA ))
OR { 1703}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 62 and name HA ))
ASSI { 1705}
(( segid "B " and resid 62 and name HD13))
( segid "B " and resid 78 and name HD% )
2.400 0.700 0.700 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.57550E-02 ppm1 0.556 ppm2 7.012 CV 1
OR { 1705}
(( segid "B " and resid 62 and name HD11))
( segid "B " and resid 78 and name HD% )
OR { 1705}
(( segid "B " and resid 62 and name HD12))
( segid "B " and resid 78 and name HD% )
ASSI { 1706}
(( segid "B " and resid 62 and name HD13))
( segid "B " and resid 78 and name HE% )
3.900 1.900 1.900 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.22370E-02 ppm1 0.556 ppm2 6.894 CV 1
OR { 1706}
(( segid "B " and resid 62 and name HD12))
( segid "B " and resid 78 and name HE% )
OR { 1706}
(( segid "B " and resid 62 and name HD11))
( segid "B " and resid 78 and name HE% )
ASSI { 1707}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 78 and name HZ ))
5.000 3.100 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.53411E-03 ppm1 0.554 ppm2 6.824 CV 1
OR { 1707}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 78 and name HZ ))
OR { 1707}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 78 and name HZ ))
ASSI { 1708}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 62 and name H ))
3.100 1.200 1.200 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.32774E-02 ppm1 0.556 ppm2 7.999 CV 1
OR { 1708}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 62 and name H ))
OR { 1708}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 62 and name H ))
ASSI { 1710}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 78 and name H ))
3.600 1.600 1.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.19558E-02 ppm1 0.555 ppm2 7.685 CV 1
OR { 1710}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 78 and name H ))
OR { 1710}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 78 and name H ))
ASSI { 1711}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 62 and name H ))
2.600 0.800 0.800 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.37781E-02 ppm1 0.414 ppm2 7.998 CV 1
OR { 1711}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 62 and name H ))
OR { 1711}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 62 and name H ))
ASSI { 1712}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 63 and name H ))
4.300 2.300 1.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.96936E-03 ppm1 0.415 ppm2 7.744 CV 1
OR { 1712}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 63 and name H ))
OR { 1712}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 63 and name H ))
ASSI { 1713}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 78 and name H ))
4.900 3.000 1.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 0.412 ppm2 7.692 CV 1
OR { 1713}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 78 and name H ))
OR { 1713}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 78 and name H ))
ASSI { 1714}
(( segid "B " and resid 62 and name HD22))
( segid "B " and resid 78 and name HD% )
2.900 1.100 1.100 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.33229E-02 ppm1 0.414 ppm2 7.012 CV 1
OR { 1714}
(( segid "B " and resid 62 and name HD23))
( segid "B " and resid 78 and name HD% )
OR { 1714}
(( segid "B " and resid 62 and name HD21))
( segid "B " and resid 78 and name HD% )
ASSI { 1715}
(( segid "B " and resid 62 and name HD22))
( segid "B " and resid 78 and name HE% )
3.400 1.400 1.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.20228E-02 ppm1 0.414 ppm2 6.893 CV 1
OR { 1715}
(( segid "B " and resid 62 and name HD23))
( segid "B " and resid 78 and name HE% )
OR { 1715}
(( segid "B " and resid 62 and name HD21))
( segid "B " and resid 78 and name HE% )
ASSI { 1716}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 78 and name HZ ))
4.600 2.700 1.400 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.66306E-03 ppm1 0.413 ppm2 6.823 CV 1
OR { 1716}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 78 and name HZ ))
OR { 1716}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 78 and name HZ ))
ASSI { 1719}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name HD21))
3.700 1.700 1.700 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.68453E-03 ppm1 4.449 ppm2 7.406 CV 1
ASSI { 1722}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 61 and name HD21))
3.500 1.500 1.500 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.40619E-03 ppm1 3.155 ppm2 7.394 CV 1
ASSI { 1723}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 61 and name HD22))
4.500 2.500 1.500 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.48207E-03 ppm1 3.155 ppm2 6.617 CV 1
ASSI { 1724}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 61 and name HD21))
3.400 1.500 1.500 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.65331E-03 ppm1 2.886 ppm2 7.404 CV 1
ASSI { 1725}
(( segid "A " and resid 61 and name HB3 ))
(( segid "A " and resid 61 and name HD22))
4.000 2.000 2.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 2.893 ppm2 6.631 CV 1
ASSI { 1729}
(( segid "A " and resid 61 and name HB2 ))
(( segid "A " and resid 61 and name HB3 ))
2.300 0.600 0.600 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.14837E-02 ppm1 3.148 ppm2 2.899 CV 1
ASSI { 1730}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name HB2 ))
3.100 1.200 1.200 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.18505E-02 ppm1 4.456 ppm2 3.147 CV 1
ASSI { 1731}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 61 and name HB3 ))
2.700 0.900 0.900 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.28266E-02 ppm1 4.457 ppm2 2.897 CV 1
ASSI { 1733}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 62 and name H ))
3.400 1.400 1.400 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 4.556 ppm2 7.999 CV 1
ASSI { 1734}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 61 and name HD22))
4.000 2.000 2.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.84884E-03 ppm1 4.556 ppm2 6.891 CV 1
ASSI { 1736}
(( segid "A " and resid 45 and name HB2 ))
( segid "A " and resid 45 and name HD% )
3.000 1.200 1.200 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 2.860 ppm2 7.190 CV 1
OR { 1736}
(( segid "A " and resid 45 and name HB3 ))
( segid "A " and resid 45 and name HD% )
ASSI { 1737}
(( segid "B " and resid 61 and name HB2 ))
(( segid "B " and resid 61 and name HD22))
4.600 2.600 1.400 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.55923E-03 ppm1 2.868 ppm2 6.919 CV 1
ASSI { 1740}
(( segid "B " and resid 61 and name HB3 ))
(( segid "B " and resid 61 and name HD22))
4.500 2.500 1.500 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.49724E-03 ppm1 2.334 ppm2 6.904 CV 1
ASSI { 1741}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 61 and name HD21))
3.600 1.600 1.600 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.79918E-03 ppm1 4.551 ppm2 7.120 CV 1
ASSI { 1742}
(( segid "B " and resid 61 and name HB3 ))
(( segid "B " and resid 61 and name HD21))
3.400 1.400 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.39796E-03 ppm1 2.868 ppm2 7.120 CV 1
OR { 1742}
(( segid "B " and resid 61 and name HB2 ))
(( segid "B " and resid 61 and name HD21))
ASSI { 1745}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 61 and name HB2 ))
3.000 1.100 1.100 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.20111E-02 ppm1 4.557 ppm2 2.868 CV 1
ASSI { 1746}
(( segid "B " and resid 61 and name HB3 ))
(( segid "B " and resid 61 and name HB2 ))
2.100 0.600 0.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.17493E-02 ppm1 2.331 ppm2 2.862 CV 1
ASSI { 1747}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 61 and name HB3 ))
2.700 0.900 0.900 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.24949E-02 ppm1 4.556 ppm2 2.330 CV 1
ASSI { 1749}
(( segid "B " and resid 61 and name HB3 ))
( segid "C " and resid 1917 and name HD2%)
3.300 1.300 1.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 2.326 ppm2 1.017 CV 1
ASSI { 1753}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 63 and name HB3 ))
4.100 2.100 1.900 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 4.242 ppm2 2.437 CV 1
ASSI { 1754}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 63 and name HB2 ))
3.100 1.200 1.200 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 4.243 ppm2 2.930 CV 1
ASSI { 1755}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 57 and name HD3 ))
4.200 2.200 1.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 4.068 ppm2 1.776 CV 1
OR { 1755}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 1756}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 57 and name HB2 ))
2.500 2.500 3.500 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 4.069 ppm2 1.873 CV 1
OR { 1756}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 1757}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 59 and name HB2 ))
2.700 2.700 3.300 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.84212E-03 ppm1 4.069 ppm2 2.183 CV 1
OR { 1757}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 59 and name HB2 ))
ASSI { 1760}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 60 and name HA ))
2.200 0.600 0.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.12438E-01 ppm1 4.067 ppm2 4.245 CV 1
OR { 1760}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name HA ))
ASSI { 1761}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 60 and name H ))
2.200 0.600 0.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.10101E-01 ppm1 4.067 ppm2 8.078 CV 1
OR { 1761}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name H ))
ASSI { 1762}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 61 and name H ))
2.700 0.900 0.900 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.45281E-02 ppm1 4.068 ppm2 8.328 CV 1
OR { 1762}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 61 and name H ))
ASSI { 1766}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 60 and name H ))
2.200 0.600 0.600 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.10667E-01 ppm1 4.033 ppm2 8.052 CV 1
OR { 1766}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 60 and name H ))
ASSI { 1767}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 62 and name H ))
3.600 1.700 1.700 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.19725E-02 ppm1 4.032 ppm2 7.994 CV 1
OR { 1767}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 62 and name H ))
ASSI { 1768}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 61 and name H ))
3.000 1.100 1.100 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.43180E-02 ppm1 4.033 ppm2 7.716 CV 1
OR { 1768}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 61 and name H ))
ASSI { 1771}
(( segid "B " and resid 60 and name HA ))
(( segid "B " and resid 63 and name H ))
3.200 1.300 1.300 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 4.310 ppm2 7.756 CV 1
ASSI { 1773}
(( segid "B " and resid 60 and name HA ))
(( segid "B " and resid 63 and name HB2 ))
4.000 2.000 2.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 4.309 ppm2 2.913 CV 1
ASSI { 1774}
(( segid "B " and resid 60 and name HA ))
(( segid "B " and resid 63 and name HB3 ))
3.100 1.200 1.200 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.10762E-02 ppm1 4.313 ppm2 2.432 CV 1
ASSI { 1775}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 60 and name HA ))
2.200 0.600 0.600 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.12969E-01 ppm1 4.030 ppm2 4.301 CV 1
OR { 1775}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 60 and name HA ))
ASSI { 1776}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 59 and name HB3 ))
3.600 1.700 1.700 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 4.033 ppm2 1.914 CV 1
OR { 1776}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 59 and name HB3 ))
ASSI { 1777}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 59 and name HE2 ))
4.200 2.200 1.800 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.11079E-02 ppm1 4.034 ppm2 1.955 CV 1
OR { 1777}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 59 and name HE2 ))
OR { 1777}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 59 and name HE1 ))
OR { 1777}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 59 and name HE1 ))
OR { 1777}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 59 and name HE3 ))
OR { 1777}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 59 and name HE3 ))
ASSI { 1778}
(( segid "B " and resid 60 and name HB2 ))
(( segid "B " and resid 63 and name HB2 ))
5.000 3.200 1.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.73438E-03 ppm1 4.035 ppm2 2.895 CV 1
OR { 1778}
(( segid "B " and resid 60 and name HB3 ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1779}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 59 and name HB3 ))
2.900 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.28114E-02 ppm1 3.873 ppm2 1.858 CV 1
ASSI { 1780}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 59 and name HB2 ))
2.700 0.900 0.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.26163E-02 ppm1 3.873 ppm2 2.171 CV 1
ASSI { 1783}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
2.900 1.100 1.100 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.19142E-02 ppm1 3.870 ppm2 1.573 CV 1
ASSI { 1784}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HB2 ))
2.500 0.800 0.800 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.19480E-02 ppm1 3.868 ppm2 1.745 CV 1
ASSI { 1785}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HG ))
3.000 1.100 1.100 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.14844E-02 ppm1 3.872 ppm2 1.384 CV 1
ASSI { 1786}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 61 and name HB2 ))
2.900 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.75953E-03 ppm1 3.875 ppm2 3.156 CV 1
ASSI { 1787}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 61 and name HB3 ))
4.300 2.300 1.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.78142E-03 ppm1 3.870 ppm2 2.900 CV 1
ASSI { 1789}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 59 and name H ))
2.900 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.30195E-02 ppm1 3.874 ppm2 7.961 CV 1
ASSI { 1790}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 60 and name H ))
3.300 1.300 1.300 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.15507E-02 ppm1 3.872 ppm2 8.078 CV 1
ASSI { 1791}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name H ))
2.600 0.800 0.800 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.25643E-02 ppm1 3.869 ppm2 8.332 CV 1
ASSI { 1793}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name H ))
4.300 2.300 1.700 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 2.433 ppm2 7.964 CV 1
ASSI { 1794}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 60 and name H ))
4.400 2.400 1.600 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 2.529 ppm2 8.077 CV 1
ASSI { 1795}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 60 and name H ))
4.100 2.100 1.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 2.432 ppm2 8.076 CV 1
ASSI { 1802}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 59 and name HA ))
3.700 1.700 1.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.19246E-02 ppm1 2.533 ppm2 3.873 CV 1
ASSI { 1803}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name HA ))
2.700 0.900 0.900 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.19914E-02 ppm1 2.431 ppm2 3.875 CV 1
ASSI { 1805}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 62 and name HD21))
4.000 2.000 2.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.13829E-02 ppm1 3.868 ppm2 0.288 CV 1
OR { 1805}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 62 and name HD22))
OR { 1805}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 62 and name HD23))
ASSI { 1808}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 59 and name HB3 ))
1.900 0.400 0.400 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.52607E-02 ppm1 2.175 ppm2 1.857 CV 1
ASSI { 1811}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 59 and name HG2 ))
2.600 0.800 0.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.21936E-02 ppm1 1.857 ppm2 2.527 CV 1
ASSI { 1812}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 59 and name HG3 ))
2.800 1.000 1.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.20157E-02 ppm1 1.854 ppm2 2.431 CV 1
ASSI { 1813}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 70 and name HG22))
4.500 2.500 1.500 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 2.532 ppm2 0.871 CV 1
OR { 1813}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 70 and name HG21))
OR { 1813}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 70 and name HG23))
ASSI { 1816}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 31 and name HG2 ))
2.700 0.900 0.900 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.95309E-03 ppm1 2.533 ppm2 1.575 CV 1
ASSI { 1817}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 31 and name HG2 ))
3.800 1.800 1.800 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 2.433 ppm2 1.575 CV 1
ASSI { 1820}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name HB2 ))
3.000 1.100 1.100 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.31907E-02 ppm1 2.431 ppm2 2.175 CV 1
ASSI { 1821}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 59 and name HG3 ))
1.500 0.300 0.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.22651E-01 ppm1 2.531 ppm2 2.431 CV 1
ASSI { 1823}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 31 and name HD3 ))
3.800 1.800 1.800 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.94660E-03 ppm1 2.527 ppm2 1.775 CV 1
OR { 1823}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 31 and name HD2 ))
ASSI { 1825}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 62 and name HD22))
3.400 1.400 1.400 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.34637E-02 ppm1 1.903 ppm2 0.288 CV 1
OR { 1825}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 62 and name HD22))
OR { 1825}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 62 and name HD21))
OR { 1825}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 62 and name HD23))
OR { 1825}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 62 and name HD22))
OR { 1825}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 62 and name HD21))
OR { 1825}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 62 and name HD23))
OR { 1825}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 62 and name HD23))
ASSI { 1826}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 34 and name HD11))
2.100 0.500 0.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.23627E-01 ppm1 1.903 ppm2 0.784 CV 1
OR { 1826}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 34 and name HD13))
OR { 1826}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 34 and name HD11))
OR { 1826}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 34 and name HD12))
OR { 1826}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 34 and name HD13))
OR { 1826}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 34 and name HD12))
OR { 1826}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 34 and name HD11))
OR { 1826}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 34 and name HD13))
OR { 1826}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 34 and name HD12))
ASSI { 1827}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG22))
1.800 0.400 0.400 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.35721E-01 ppm1 1.903 ppm2 0.873 CV 1
OR { 1827}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG21))
OR { 1827}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG23))
OR { 1827}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG22))
OR { 1827}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG23))
OR { 1827}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name HG22))
OR { 1827}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG21))
OR { 1827}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name HG21))
ASSI { 1828}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG11))
3.400 1.500 1.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.48119E-02 ppm1 1.903 ppm2 1.187 CV 1
OR { 1828}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG13))
OR { 1828}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HG12))
OR { 1828}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG11))
OR { 1828}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG13))
OR { 1828}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HG12))
OR { 1828}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name HG11))
OR { 1828}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name HG13))
ASSI { 1831}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 59 and name HG3 ))
1.900 0.400 0.400 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.20768E-01 ppm1 1.903 ppm2 2.433 CV 1
OR { 1831}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 59 and name HG3 ))
OR { 1831}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HG3 ))
ASSI { 1832}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 59 and name HG2 ))
2.400 0.700 0.700 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.18802E-01 ppm1 1.903 ppm2 2.530 CV 1
OR { 1832}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 59 and name HG2 ))
OR { 1832}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HG2 ))
ASSI { 1835}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 68 and name HB2 ))
3.500 1.500 1.500 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.28200E-02 ppm1 1.903 ppm2 3.189 CV 1
OR { 1835}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 68 and name HB2 ))
OR { 1835}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 68 and name HB2 ))
ASSI { 1836}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 68 and name HB3 ))
3.000 1.100 1.100 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.35831E-02 ppm1 1.902 ppm2 3.120 CV 1
OR { 1836}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 68 and name HB3 ))
OR { 1836}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 68 and name HB3 ))
ASSI { 1837}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 30 and name HB2 ))
3.400 1.400 1.400 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.36981E-02 ppm1 1.903 ppm2 3.468 CV 1
OR { 1837}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 30 and name HB2 ))
OR { 1837}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 30 and name HB2 ))
ASSI { 1838}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 59 and name HA ))
2.600 0.800 0.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.63533E-02 ppm1 1.903 ppm2 3.873 CV 1
OR { 1838}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 59 and name HA ))
OR { 1838}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HA ))
ASSI { 1839}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 68 and name HA ))
2.500 0.800 0.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.68908E-02 ppm1 1.903 ppm2 4.135 CV 1
OR { 1839}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 68 and name HA ))
OR { 1839}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 68 and name HA ))
ASSI { 1840}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 31 and name HA ))
2.100 2.100 3.900 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.18843E-01 ppm1 1.903 ppm2 4.040 CV 1
OR { 1840}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 31 and name HA ))
OR { 1840}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 31 and name HA ))
ASSI { 1842}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 63 and name HA ))
2.800 2.800 3.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.77794E-02 ppm1 1.903 ppm2 4.766 CV 1
OR { 1842}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 63 and name HA ))
OR { 1842}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 63 and name HA ))
ASSI { 1843}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name HA ))
3.400 1.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 1.903 ppm2 5.282 CV 1
OR { 1843}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name HA ))
OR { 1843}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name HA ))
ASSI { 1845}
(( segid "A " and resid 59 and name HE1 ))
( segid "A " and resid 55 and name HD% )
2.300 2.300 3.700 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.22673E-02 ppm1 1.903 ppm2 7.218 CV 1
OR { 1845}
(( segid "A " and resid 59 and name HE3 ))
( segid "A " and resid 55 and name HD% )
OR { 1845}
(( segid "A " and resid 59 and name HE2 ))
( segid "A " and resid 55 and name HD% )
OR { 1845}
(( segid "A " and resid 59 and name HE1 ))
( segid "A " and resid 55 and name HE% )
ASSI { 1847}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 32 and name H ))
2.200 2.200 3.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.26271E-02 ppm1 1.903 ppm2 7.666 CV 1
OR { 1847}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 32 and name H ))
OR { 1847}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 32 and name H ))
ASSI { 1848}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 60 and name H ))
4.100 2.100 1.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 1.903 ppm2 8.079 CV 1
OR { 1848}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 60 and name H ))
OR { 1848}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 60 and name H ))
ASSI { 1849}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 59 and name H ))
3.400 1.400 1.400 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.44610E-02 ppm1 1.903 ppm2 7.965 CV 1
OR { 1849}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name H ))
OR { 1849}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 59 and name H ))
ASSI { 1851}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 31 and name H ))
2.200 0.600 0.600 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.14085E-01 ppm1 1.903 ppm2 8.389 CV 1
OR { 1851}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 31 and name H ))
OR { 1851}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 31 and name H ))
ASSI { 1852}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 67 and name H ))
4.400 2.400 1.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.81219E-03 ppm1 1.902 ppm2 8.607 CV 1
OR { 1852}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 67 and name H ))
OR { 1852}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 67 and name H ))
ASSI { 1853}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 33 and name H ))
2.600 2.600 3.400 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.91212E-03 ppm1 1.901 ppm2 8.682 CV 1
OR { 1853}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 33 and name H ))
OR { 1853}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 33 and name H ))
ASSI { 1854}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 34 and name H ))
2.700 2.700 3.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.29566E-02 ppm1 1.903 ppm2 8.931 CV 1
OR { 1854}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 34 and name H ))
ASSI { 1855}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 71 and name H ))
4.500 2.500 1.500 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.10929E-02 ppm1 1.903 ppm2 9.117 CV 1
OR { 1855}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 71 and name H ))
OR { 1855}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 71 and name H ))
ASSI { 1857}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 70 and name H ))
2.300 0.600 0.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.10287E-01 ppm1 1.903 ppm2 9.993 CV 1
OR { 1857}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 70 and name H ))
OR { 1857}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 70 and name H ))
ASSI { 1858}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 68 and name H ))
3.400 1.500 1.500 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.27398E-02 ppm1 1.903 ppm2 10.399 CV 1
OR { 1858}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 68 and name H ))
OR { 1858}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 68 and name H ))
ASSI { 1859}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 62 and name H ))
4.200 2.200 1.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.98192E-03 ppm1 1.904 ppm2 7.704 CV 1
OR { 1859}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 62 and name H ))
OR { 1859}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 62 and name H ))
ASSI { 1860}
(( segid "A " and resid 59 and name HE1 ))
( segid "A " and resid 75 and name HD% )
4.600 2.600 1.400 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.68085E-03 ppm1 1.904 ppm2 6.934 CV 1
OR { 1860}
(( segid "A " and resid 59 and name HE3 ))
( segid "A " and resid 75 and name HD% )
OR { 1860}
(( segid "A " and resid 59 and name HE2 ))
( segid "A " and resid 75 and name HD% )
ASSI { 1863}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 59 and name HB2 ))
2.500 0.800 0.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.16411E-02 ppm1 3.926 ppm2 2.255 CV 1
ASSI { 1870}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 31 and name HG2 ))
2.800 1.000 1.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 2.597 ppm2 1.590 CV 1
ASSI { 1871}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 31 and name HG3 ))
3.000 1.100 1.100 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.75866E-03 ppm1 2.604 ppm2 1.500 CV 1
ASSI { 1873}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 59 and name HB3 ))
2.500 0.800 0.800 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.30021E-02 ppm1 2.601 ppm2 1.902 CV 1
ASSI { 1874}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 31 and name HD3 ))
3.600 1.600 1.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.93837E-03 ppm1 2.603 ppm2 1.777 CV 1
OR { 1874}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 31 and name HD2 ))
ASSI { 1876}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 59 and name HB2 ))
2.100 0.500 0.500 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.38627E-02 ppm1 2.601 ppm2 2.260 CV 1
ASSI { 1877}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 59 and name HB2 ))
2.900 1.000 1.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.26380E-02 ppm1 2.446 ppm2 2.256 CV 1
ASSI { 1878}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 59 and name HB2 ))
1.800 0.400 0.400 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 1.906 ppm2 2.256 CV 1
ASSI { 1879}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 59 and name HG3 ))
1.600 0.300 0.600 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.11527E-01 ppm1 2.603 ppm2 2.450 CV 1
ASSI { 1883}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 59 and name HA ))
3.200 1.300 1.300 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 1.904 ppm2 3.923 CV 1
ASSI { 1884}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 59 and name HA ))
3.600 1.600 1.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.12516E-02 ppm1 2.606 ppm2 3.932 CV 1
ASSI { 1885}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 59 and name HA ))
3.300 1.300 1.300 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 2.445 ppm2 3.926 CV 1
ASSI { 1895}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 60 and name H ))
4.400 2.500 1.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.87137E-03 ppm1 2.604 ppm2 8.054 CV 1
ASSI { 1896}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 59 and name H ))
4.400 2.400 1.600 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.92729E-03 ppm1 2.457 ppm2 8.268 CV 1
ASSI { 1897}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 60 and name H ))
3.500 1.500 1.500 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.94595E-03 ppm1 2.456 ppm2 8.049 CV 1
ASSI { 1898}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD11))
4.600 2.600 1.400 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.85035E-03 ppm1 1.972 ppm2 0.553 CV 1
OR { 1898}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD13))
OR { 1898}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD12))
OR { 1898}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 62 and name HD11))
OR { 1898}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name HD11))
OR { 1898}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name HD13))
OR { 1898}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name HD12))
ASSI { 1899}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD21))
3.500 1.500 1.500 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.21535E-02 ppm1 1.972 ppm2 0.411 CV 1
OR { 1899}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD22))
OR { 1899}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name HD23))
OR { 1899}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 62 and name HD21))
OR { 1899}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 62 and name HD22))
OR { 1899}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name HD21))
OR { 1899}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name HD22))
ASSI { 1900}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HD23))
3.900 1.900 1.900 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.85707E-03 ppm1 1.969 ppm2 0.277 CV 1
OR { 1900}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD23))
OR { 1900}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HD22))
OR { 1900}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD22))
OR { 1900}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD21))
ASSI { 1901}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HD13))
3.900 1.900 1.900 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.14193E-02 ppm1 1.971 ppm2 0.731 CV 1
OR { 1901}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD13))
OR { 1901}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD11))
OR { 1901}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HD11))
OR { 1901}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HD12))
OR { 1901}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HD12))
OR { 1901}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 29 and name HD13))
ASSI { 1903}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD23))
3.100 1.200 1.200 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.45042E-02 ppm1 1.972 ppm2 0.844 CV 1
OR { 1903}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD22))
OR { 1903}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD21))
OR { 1903}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 34 and name HD22))
OR { 1903}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 34 and name HD23))
OR { 1903}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 34 and name HD21))
OR { 1903}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 34 and name HD23))
OR { 1903}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 34 and name HD22))
ASSI { 1904}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG13))
3.400 1.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.41598E-02 ppm1 1.971 ppm2 1.201 CV 1
OR { 1904}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG12))
OR { 1904}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG11))
OR { 1904}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG13))
OR { 1904}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG11))
OR { 1904}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG12))
OR { 1904}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 70 and name HG13))
ASSI { 1905}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HB3 ))
3.300 1.300 1.300 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 1.972 ppm2 1.256 CV 1
OR { 1905}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HB3 ))
OR { 1905}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 29 and name HB3 ))
ASSI { 1906}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name HG3 ))
2.600 0.900 0.900 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.63662E-02 ppm1 1.972 ppm2 1.494 CV 1
OR { 1906}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 31 and name HG3 ))
OR { 1906}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 31 and name HG3 ))
ASSI { 1907}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name HG2 ))
2.400 0.700 0.700 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.37933E-02 ppm1 1.974 ppm2 1.591 CV 1
OR { 1907}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 31 and name HG2 ))
OR { 1907}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 31 and name HG2 ))
ASSI { 1909}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 59 and name HB2 ))
1.800 0.400 0.400 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.92665E-02 ppm1 1.971 ppm2 2.257 CV 1
OR { 1909}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HB2 ))
OR { 1909}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 59 and name HB2 ))
ASSI { 1910}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 59 and name HG3 ))
2.600 0.800 0.800 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.14050E-01 ppm1 1.971 ppm2 2.447 CV 1
OR { 1910}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 59 and name HG3 ))
OR { 1910}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HG3 ))
ASSI { 1911}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 59 and name HG2 ))
2.000 0.500 0.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.14215E-01 ppm1 1.971 ppm2 2.602 CV 1
OR { 1911}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 59 and name HG2 ))
OR { 1911}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HG2 ))
ASSI { 1912}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 68 and name HB2 ))
4.200 2.200 1.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 1.973 ppm2 3.208 CV 1
OR { 1912}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 68 and name HB2 ))
OR { 1912}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 68 and name HB2 ))
ASSI { 1913}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 68 and name HB3 ))
3.400 1.500 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.31300E-02 ppm1 1.973 ppm2 3.122 CV 1
OR { 1913}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 68 and name HB3 ))
OR { 1913}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 68 and name HB3 ))
ASSI { 1915}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 63 and name HB2 ))
3.300 1.400 1.400 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 1.971 ppm2 2.915 CV 1
OR { 1915}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 63 and name HB2 ))
OR { 1915}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1916}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 30 and name HB2 ))
3.600 1.600 1.600 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 1.971 ppm2 3.469 CV 1
OR { 1916}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 30 and name HB2 ))
OR { 1916}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 1917}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name HA ))
1.800 0.400 0.400 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.17014E-01 ppm1 1.971 ppm2 4.088 CV 1
OR { 1917}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 31 and name HA ))
OR { 1917}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 31 and name HA ))
ASSI { 1918}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HA ))
2.400 0.700 0.700 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.46040E-02 ppm1 1.971 ppm2 3.925 CV 1
OR { 1918}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 59 and name HA ))
OR { 1918}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 59 and name HA ))
ASSI { 1920}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 68 and name HA ))
3.000 1.200 1.200 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.53886E-02 ppm1 1.971 ppm2 4.153 CV 1
OR { 1920}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 68 and name HA ))
OR { 1920}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 68 and name HA ))
ASSI { 1922}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 69 and name HA ))
2.100 0.600 0.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.18284E-01 ppm1 1.971 ppm2 4.867 CV 1
OR { 1922}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 69 and name HA ))
OR { 1922}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 69 and name HA ))
ASSI { 1923}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 30 and name HA ))
1.900 0.500 0.500 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.10664E-01 ppm1 1.971 ppm2 4.807 CV 1
OR { 1923}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 30 and name HA ))
OR { 1923}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 30 and name HA ))
ASSI { 1924}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HA ))
3.400 1.500 1.500 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 1.972 ppm2 5.301 CV 1
OR { 1924}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HA ))
OR { 1924}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 70 and name HA ))
ASSI { 1925}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 69 and name H ))
2.800 1.000 1.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.49140E-02 ppm1 1.971 ppm2 7.822 CV 1
OR { 1925}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 69 and name H ))
OR { 1925}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 69 and name H ))
ASSI { 1926}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 61 and name H ))
2.900 2.900 3.100 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 1.972 ppm2 7.723 CV 1
OR { 1926}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 61 and name H ))
OR { 1926}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 61 and name H ))
ASSI { 1927}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 30 and name HD22))
2.900 2.900 3.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.57353E-03 ppm1 1.970 ppm2 7.449 CV 1
OR { 1927}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 30 and name HD22))
ASSI { 1928}
(( segid "B " and resid 59 and name HE1 ))
( segid "B " and resid 55 and name HE% )
3.200 1.300 1.300 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.92403E-03 ppm1 1.971 ppm2 7.252 CV 1
OR { 1928}
(( segid "B " and resid 59 and name HE2 ))
( segid "B " and resid 55 and name HE% )
ASSI { 1929}
(( segid "B " and resid 59 and name HE2 ))
( segid "B " and resid 55 and name HD% )
3.700 1.700 1.700 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.71356E-03 ppm1 1.972 ppm2 7.183 CV 1
OR { 1929}
(( segid "B " and resid 59 and name HE1 ))
( segid "B " and resid 55 and name HD% )
ASSI { 1930}
(( segid "B " and resid 59 and name HE1 ))
( segid "B " and resid 75 and name HD% )
4.300 2.300 1.700 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.78575E-03 ppm1 1.970 ppm2 6.925 CV 1
OR { 1930}
(( segid "B " and resid 59 and name HE3 ))
( segid "B " and resid 75 and name HD% )
OR { 1930}
(( segid "B " and resid 59 and name HE2 ))
( segid "B " and resid 75 and name HD% )
ASSI { 1931}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 68 and name HD21))
4.300 2.300 1.700 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.95202E-03 ppm1 1.971 ppm2 7.512 CV 1
OR { 1931}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 68 and name HD21))
OR { 1931}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 68 and name HD21))
ASSI { 1932}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 62 and name H ))
3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.21650E-02 ppm1 1.971 ppm2 8.005 CV 1
OR { 1932}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 62 and name H ))
OR { 1932}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 62 and name H ))
ASSI { 1933}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 60 and name H ))
4.100 2.100 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 1.971 ppm2 8.046 CV 1
OR { 1933}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 60 and name H ))
OR { 1933}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 60 and name H ))
ASSI { 1934}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name H ))
2.000 0.500 0.500 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.13064E-01 ppm1 1.972 ppm2 8.345 CV 1
OR { 1934}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 31 and name H ))
OR { 1934}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 31 and name H ))
ASSI { 1935}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 59 and name H ))
3.400 1.400 1.400 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.27203E-02 ppm1 1.971 ppm2 8.266 CV 1
OR { 1935}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name H ))
ASSI { 1936}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 34 and name H ))
3.000 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.24516E-02 ppm1 1.972 ppm2 8.923 CV 1
OR { 1936}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name H ))
OR { 1936}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 34 and name H ))
ASSI { 1937}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 67 and name H ))
4.900 2.900 1.100 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.82695E-03 ppm1 1.973 ppm2 8.725 CV 1
OR { 1937}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 67 and name H ))
OR { 1937}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 67 and name H ))
ASSI { 1938}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 33 and name H ))
2.600 2.600 3.400 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.96739E-03 ppm1 1.971 ppm2 8.694 CV 1
OR { 1938}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 33 and name H ))
OR { 1938}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 33 and name H ))
ASSI { 1939}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name H ))
3.900 1.900 1.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 1.971 ppm2 9.676 CV 1
OR { 1939}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name H ))
OR { 1939}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 29 and name H ))
ASSI { 1940}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 30 and name H ))
3.500 1.600 1.600 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 1.972 ppm2 9.597 CV 1
OR { 1940}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 30 and name H ))
OR { 1940}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 30 and name H ))
ASSI { 1941}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 71 and name H ))
4.500 2.500 1.500 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.11432E-02 ppm1 1.972 ppm2 9.363 CV 1
OR { 1941}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 71 and name H ))
OR { 1941}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 71 and name H ))
ASSI { 1943}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 68 and name H ))
4.000 2.000 2.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.20807E-02 ppm1 1.972 ppm2 10.286 CV 1
OR { 1943}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 68 and name H ))
OR { 1943}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 68 and name H ))
ASSI { 1945}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name H ))
2.800 1.000 1.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 1.567 ppm2 8.336 CV 1
ASSI { 1947}
(( segid "A " and resid 58 and name HG ))
(( segid "A " and resid 58 and name H ))
4.400 2.400 1.600 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.65309E-03 ppm1 1.395 ppm2 8.337 CV 1
ASSI { 1951}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 55 and name HA ))
3.700 1.700 1.700 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.78488E-03 ppm1 1.738 ppm2 4.256 CV 1
ASSI { 1952}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 55 and name HA ))
3.200 1.300 1.300 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.60976E-03 ppm1 1.574 ppm2 4.243 CV 1
ASSI { 1956}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HB3 ))
1.800 0.400 0.400 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.26336E-02 ppm1 1.744 ppm2 1.573 CV 1
ASSI { 1957}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HG ))
3.100 1.200 1.200 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 1.748 ppm2 1.386 CV 1
ASSI { 1960}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HD11))
3.500 1.500 1.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.15451E-02 ppm1 1.572 ppm2 0.864 CV 1
OR { 1960}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HD13))
OR { 1960}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HD12))
ASSI { 1962}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HG ))
2.500 0.800 0.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.16014E-02 ppm1 1.574 ppm2 1.387 CV 1
ASSI { 1964}
(( segid "A " and resid 58 and name HG ))
(( segid "A " and resid 62 and name HD21))
2.900 1.100 1.100 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 1.394 ppm2 0.289 CV 1
OR { 1964}
(( segid "A " and resid 58 and name HG ))
(( segid "A " and resid 62 and name HD22))
OR { 1964}
(( segid "A " and resid 58 and name HG ))
(( segid "A " and resid 62 and name HD23))
ASSI { 1967}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 58 and name H ))
3.500 1.500 1.500 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 0.866 ppm2 8.331 CV 1
OR { 1967}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 58 and name H ))
OR { 1967}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 58 and name H ))
ASSI { 1968}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 57 and name H ))
4.700 2.800 1.300 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.51806E-03 ppm1 0.865 ppm2 8.117 CV 1
OR { 1968}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 57 and name H ))
OR { 1968}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 57 and name H ))
ASSI { 1970}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 62 and name H ))
4.000 2.000 2.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 0.865 ppm2 7.716 CV 1
OR { 1970}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 62 and name H ))
OR { 1970}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 62 and name H ))
ASSI { 1971}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1904 and name H ))
3.900 1.900 1.900 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.71162E-03 ppm1 0.866 ppm2 7.498 CV 1
OR { 1971}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1904 and name H ))
OR { 1971}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1904 and name H ))
ASSI { 1972}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 61 and name HD21))
4.000 2.000 2.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.85730E-03 ppm1 0.864 ppm2 7.403 CV 1
OR { 1972}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 61 and name HD21))
OR { 1972}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 61 and name HD21))
ASSI { 1973}
(( segid "A " and resid 58 and name HD11))
( segid "A " and resid 55 and name HD% )
4.000 2.000 2.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.13485E-02 ppm1 0.864 ppm2 7.221 CV 1
OR { 1973}
(( segid "A " and resid 58 and name HD12))
( segid "A " and resid 55 and name HD% )
OR { 1973}
(( segid "A " and resid 58 and name HD13))
( segid "A " and resid 55 and name HD% )
OR { 1973}
(( segid "A " and resid 58 and name HD12))
( segid "A " and resid 55 and name HE% )
OR { 1973}
(( segid "A " and resid 58 and name HD11))
( segid "A " and resid 55 and name HE% )
ASSI { 1975}
(( segid "A " and resid 58 and name HD12))
( segid "A " and resid 78 and name HE% )
2.700 0.900 0.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.41878E-02 ppm1 0.865 ppm2 7.030 CV 1
OR { 1975}
(( segid "A " and resid 58 and name HD13))
( segid "A " and resid 78 and name HE% )
OR { 1975}
(( segid "A " and resid 58 and name HD11))
( segid "A " and resid 78 and name HE% )
ASSI { 1976}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 61 and name HD22))
4.700 2.800 1.300 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.70881E-03 ppm1 0.867 ppm2 6.616 CV 1
OR { 1976}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 61 and name HD22))
OR { 1976}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 61 and name HD22))
ASSI { 1977}
(( segid "A " and resid 58 and name HD23))
( segid "A " and resid 55 and name HE% )
2.600 0.800 0.800 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.50289E-02 ppm1 0.802 ppm2 7.219 CV 1
OR { 1977}
(( segid "A " and resid 58 and name HD21))
( segid "A " and resid 55 and name HE% )
OR { 1977}
(( segid "A " and resid 58 and name HD23))
( segid "A " and resid 55 and name HD% )
OR { 1977}
(( segid "A " and resid 58 and name HD22))
( segid "A " and resid 55 and name HE% )
OR { 1977}
(( segid "A " and resid 58 and name HD21))
( segid "A " and resid 55 and name HD% )
ASSI { 1979}
(( segid "A " and resid 58 and name HD22))
( segid "A " and resid 78 and name HE% )
2.500 0.800 0.800 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.29913E-02 ppm1 0.806 ppm2 7.035 CV 1
OR { 1979}
(( segid "A " and resid 58 and name HD21))
( segid "A " and resid 78 and name HE% )
OR { 1979}
(( segid "A " and resid 58 and name HD23))
( segid "A " and resid 78 and name HE% )
ASSI { 1980}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 59 and name H ))
3.800 1.800 1.800 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.20111E-02 ppm1 0.806 ppm2 7.960 CV 1
OR { 1980}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 59 and name H ))
OR { 1980}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 59 and name H ))
ASSI { 1981}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 58 and name H ))
4.000 2.000 2.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.18121E-02 ppm1 0.806 ppm2 8.336 CV 1
OR { 1981}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 58 and name H ))
OR { 1981}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 58 and name H ))
ASSI { 1983}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 58 and name HA ))
2.000 0.500 0.500 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.10580E-01 ppm1 0.866 ppm2 3.869 CV 1
OR { 1983}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 58 and name HA ))
OR { 1983}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 58 and name HA ))
ASSI { 1984}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1904 and name HA ))
4.000 2.000 2.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 0.864 ppm2 4.682 CV 1
OR { 1984}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1904 and name HA ))
OR { 1984}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1904 and name HA ))
ASSI { 1985}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1904 and name HB ))
3.800 1.800 1.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.85445E-03 ppm1 0.866 ppm2 4.752 CV 1
OR { 1985}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1904 and name HB ))
OR { 1985}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1904 and name HB ))
ASSI { 1989}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HA ))
3.200 1.300 1.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.17497E-02 ppm1 0.866 ppm2 4.201 CV 1
OR { 1989}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HA ))
OR { 1989}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HA ))
ASSI { 1991}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 58 and name HA ))
3.500 1.500 1.500 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.31647E-02 ppm1 0.801 ppm2 3.870 CV 1
OR { 1991}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 58 and name HA ))
OR { 1991}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 58 and name HA ))
ASSI { 1992}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 55 and name HA ))
3.400 1.500 1.500 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 0.805 ppm2 4.253 CV 1
OR { 1992}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 55 and name HA ))
OR { 1992}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 55 and name HA ))
ASSI { 1993}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HA ))
4.900 3.000 1.100 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.79941E-03 ppm1 0.802 ppm2 4.194 CV 1
OR { 1993}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HA ))
OR { 1993}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HA ))
ASSI { 1994}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 61 and name HB2 ))
3.500 1.500 1.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 0.867 ppm2 3.146 CV 1
OR { 1994}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 61 and name HB2 ))
OR { 1994}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 61 and name HB2 ))
ASSI { 1995}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 61 and name HB3 ))
4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.10799E-02 ppm1 0.867 ppm2 2.901 CV 1
OR { 1995}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 61 and name HB3 ))
OR { 1995}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 61 and name HB3 ))
ASSI { 1996}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1899 and name HG3 ))
4.700 2.700 1.300 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 0.866 ppm2 2.331 CV 1
OR { 1996}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1899 and name HG3 ))
OR { 1996}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1899 and name HG3 ))
ASSI { 1997}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HG ))
2.700 0.900 0.900 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 0.864 ppm2 2.161 CV 1
OR { 1997}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HG ))
OR { 1997}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HG ))
ASSI { 1998}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HB3 ))
2.000 2.000 4.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.63336E-02 ppm1 0.866 ppm2 2.072 CV 1
OR { 1998}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HB3 ))
OR { 1998}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 1999}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1904 and name HG2%)
1.900 0.500 0.500 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.10996E-01 ppm1 0.865 ppm2 1.484 CV 1
OR { 1999}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1904 and name HG2%)
OR { 1999}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1904 and name HG2%)
ASSI { 2000}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 58 and name HG ))
2.000 0.500 0.500 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.88764E-02 ppm1 0.866 ppm2 1.390 CV 1
OR { 2000}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 58 and name HG ))
OR { 2000}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 58 and name HG ))
ASSI { 2001}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HB2 ))
2.200 0.600 0.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.81155E-02 ppm1 0.865 ppm2 1.595 CV 1
OR { 2001}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HB2 ))
OR { 2001}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HB2 ))
OR { 2001}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HB3 ))
OR { 2001}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HB3 ))
OR { 2001}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 2002}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 58 and name HB2 ))
2.400 0.700 0.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.43028E-02 ppm1 0.865 ppm2 1.745 CV 1
OR { 2002}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 58 and name HB2 ))
OR { 2002}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 2003}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1900 and name HD2%)
3.700 1.700 1.700 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.33988E-02 ppm1 0.864 ppm2 1.092 CV 1
OR { 2003}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1900 and name HD2%)
OR { 2003}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1900 and name HD2%)
ASSI { 2004}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD13))
2.500 0.800 0.800 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 0.805 ppm2 1.001 CV 1
OR { 2004}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD13))
OR { 2004}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 38 and name HD13))
OR { 2004}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD11))
OR { 2004}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD11))
OR { 2004}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD12))
OR { 2004}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 38 and name HD11))
OR { 2004}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD12))
ASSI { 2006}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1900 and name HD2%)
3.100 1.200 1.200 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.57311E-02 ppm1 0.805 ppm2 1.091 CV 1
OR { 2006}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1900 and name HD2%)
OR { 2006}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1900 and name HD2%)
ASSI { 2007}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 58 and name HG ))
2.100 0.500 0.500 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.82152E-02 ppm1 0.801 ppm2 1.388 CV 1
OR { 2007}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 58 and name HG ))
OR { 2007}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 58 and name HG ))
ASSI { 2008}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1904 and name HG2%)
3.800 1.800 1.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 0.806 ppm2 1.497 CV 1
OR { 2008}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1904 and name HG2%)
OR { 2008}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1904 and name HG2%)
ASSI { 2009}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 58 and name HB3 ))
2.300 0.700 0.700 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.63316E-02 ppm1 0.807 ppm2 1.569 CV 1
OR { 2009}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 58 and name HB3 ))
OR { 2009}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 58 and name HB3 ))
ASSI { 2011}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 58 and name HB2 ))
2.400 0.700 0.700 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.50505E-02 ppm1 0.805 ppm2 1.743 CV 1
OR { 2011}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 58 and name HB2 ))
OR { 2011}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 2012}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HG ))
2.400 0.700 0.700 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 0.803 ppm2 2.158 CV 1
OR { 2012}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HG ))
OR { 2012}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HG ))
ASSI { 2013}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HB3 ))
3.100 1.200 1.200 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.37132E-02 ppm1 0.806 ppm2 2.077 CV 1
OR { 2013}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HB3 ))
OR { 2013}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 2014}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 85 and name HE1 ))
4.700 2.700 1.300 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.13881E-02 ppm1 0.806 ppm2 2.197 CV 1
OR { 2014}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 85 and name HE3 ))
OR { 2014}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 85 and name HE1 ))
OR { 2014}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 85 and name HE1 ))
OR { 2014}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 85 and name HE3 ))
OR { 2014}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 85 and name HE3 ))
OR { 2014}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 85 and name HE2 ))
OR { 2014}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 85 and name HE2 ))
ASSI { 2015}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1899 and name HG3 ))
5.300 3.500 0.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.78685E-03 ppm1 0.804 ppm2 2.339 CV 1
OR { 2015}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1899 and name HG3 ))
OR { 2015}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1899 and name HG3 ))
ASSI { 2018}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 45 and name HB3 ))
4.700 2.800 1.300 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.51503E-03 ppm1 0.805 ppm2 2.871 CV 1
OR { 2018}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 45 and name HB3 ))
OR { 2018}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 2019}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 62 and name HD21))
2.700 0.900 0.900 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.73871E-02 ppm1 0.865 ppm2 0.289 CV 1
OR { 2019}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 62 and name HD21))
OR { 2019}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 62 and name HD21))
OR { 2019}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 62 and name HD23))
OR { 2019}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 62 and name HD22))
OR { 2019}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 62 and name HD23))
OR { 2019}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 62 and name HD22))
OR { 2019}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 62 and name HD23))
ASSI { 2020}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD21))
2.900 1.100 1.100 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.37326E-02 ppm1 0.806 ppm2 0.289 CV 1
OR { 2020}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 62 and name HD21))
OR { 2020}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 62 and name HD21))
OR { 2020}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD23))
OR { 2020}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD22))
OR { 2020}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 62 and name HD22))
OR { 2020}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 62 and name HD22))
OR { 2020}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 62 and name HD23))
ASSI { 2024}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 59 and name H ))
3.500 1.500 1.500 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.64398E-03 ppm1 4.026 ppm2 8.266 CV 1
ASSI { 2025}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 61 and name H ))
3.700 1.700 1.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.68821E-03 ppm1 4.029 ppm2 7.723 CV 1
ASSI { 2026}
(( segid "B " and resid 58 and name HB2 ))
(( segid "B " and resid 59 and name H ))
4.200 2.200 1.800 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.52045E-03 ppm1 1.507 ppm2 8.258 CV 1
ASSI { 2028}
(( segid "B " and resid 58 and name HB3 ))
(( segid "B " and resid 59 and name H ))
2.900 1.100 1.100 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.85642E-03 ppm1 1.929 ppm2 8.267 CV 1
ASSI { 2030}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 58 and name HB3 ))
2.900 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.16819E-02 ppm1 4.026 ppm2 1.917 CV 1
ASSI { 2031}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 61 and name HB2 ))
2.900 1.100 1.100 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.64314E-03 ppm1 4.028 ppm2 2.864 CV 1
ASSI { 2034}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 58 and name HB2 ))
2.600 0.800 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.14089E-02 ppm1 4.027 ppm2 1.509 CV 1
ASSI { 2035}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 58 and name HG ))
3.100 1.200 1.200 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.95483E-03 ppm1 4.029 ppm2 1.420 CV 1
ASSI { 2038}
(( segid "B " and resid 58 and name HB2 ))
(( segid "B " and resid 58 and name HB3 ))
2.000 0.500 0.500 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 1.506 ppm2 1.925 CV 1
ASSI { 2040}
(( segid "B " and resid 58 and name HB3 ))
(( segid "B " and resid 58 and name HG ))
2.900 1.000 1.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.77881E-03 ppm1 1.928 ppm2 1.420 CV 1
ASSI { 2046}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 61 and name HB3 ))
4.400 2.400 1.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.45779E-03 ppm1 4.028 ppm2 2.318 CV 1
ASSI { 2047}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD22))
2.400 0.700 0.700 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.74349E-02 ppm1 0.901 ppm2 0.413 CV 1
OR { 2047}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD21))
OR { 2047}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD23))
OR { 2047}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HD22))
OR { 2047}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HD23))
OR { 2047}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 62 and name HD22))
OR { 2047}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 62 and name HD23))
OR { 2047}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HD21))
ASSI { 2048}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD13))
3.000 3.000 3.000 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.55794E-02 ppm1 0.901 ppm2 0.554 CV 1
OR { 2048}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD12))
OR { 2048}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HD13))
OR { 2048}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HD12))
OR { 2048}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 62 and name HD13))
OR { 2048}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 62 and name HD12))
OR { 2048}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HD11))
ASSI { 2049}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 58 and name HG ))
2.100 0.500 0.500 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.87983E-02 ppm1 0.901 ppm2 1.415 CV 1
OR { 2049}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 58 and name HG ))
OR { 2049}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 58 and name HG ))
ASSI { 2050}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 58 and name HB2 ))
2.300 0.700 0.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.52045E-02 ppm1 0.900 ppm2 1.502 CV 1
OR { 2050}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 58 and name HB2 ))
OR { 2050}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 58 and name HB2 ))
ASSI { 2051}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HG3 ))
4.000 2.000 2.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 0.900 ppm2 1.613 CV 1
OR { 2051}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HG3 ))
OR { 2051}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HG3 ))
ASSI { 2053}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 62 and name HG ))
3.100 3.100 2.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.36135E-02 ppm1 0.901 ppm2 1.812 CV 1
OR { 2053}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 62 and name HG ))
OR { 2053}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 62 and name HG ))
ASSI { 2054}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 58 and name HB3 ))
2.900 1.100 1.100 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.46886E-02 ppm1 0.901 ppm2 1.925 CV 1
OR { 2054}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 58 and name HB3 ))
OR { 2054}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 58 and name HB3 ))
ASSI { 2056}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 61 and name HB3 ))
3.800 1.800 1.800 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.11766E-02 ppm1 0.900 ppm2 2.328 CV 1
OR { 2056}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 61 and name HB3 ))
OR { 2056}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 61 and name HB3 ))
ASSI { 2057}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 61 and name HB2 ))
3.600 1.600 1.600 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.11614E-02 ppm1 0.900 ppm2 2.861 CV 1
OR { 2057}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 61 and name HB2 ))
OR { 2057}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 61 and name HB2 ))
ASSI { 2058}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1928 and name HB3 ))
3.500 1.500 1.500 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.88222E-03 ppm1 0.898 ppm2 3.034 CV 1
OR { 2058}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1928 and name HB3 ))
OR { 2058}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1928 and name HB3 ))
ASSI { 2059}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HD2 ))
2.700 0.900 0.900 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 0.901 ppm2 3.251 CV 1
OR { 2059}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HD2 ))
OR { 2059}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 2060}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD22))
2.600 2.600 3.400 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.37607E-02 ppm1 0.830 ppm2 0.413 CV 1
OR { 2060}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD23))
OR { 2060}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD21))
ASSI { 2063}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HG2 ))
2.600 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 0.831 ppm2 1.355 CV 1
OR { 2063}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HG2 ))
OR { 2063}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 2064}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 58 and name HB2 ))
2.500 0.800 0.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.38475E-02 ppm1 0.830 ppm2 1.505 CV 1
OR { 2064}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 58 and name HB2 ))
OR { 2064}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 58 and name HB2 ))
ASSI { 2065}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 58 and name HG ))
2.100 0.600 0.600 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.81436E-02 ppm1 0.830 ppm2 1.422 CV 1
OR { 2065}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 58 and name HG ))
OR { 2065}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 58 and name HG ))
ASSI { 2066}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HG3 ))
3.300 1.400 1.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 0.830 ppm2 1.628 CV 1
OR { 2066}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HG3 ))
OR { 2066}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HG3 ))
ASSI { 2067}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 58 and name HB3 ))
2.500 0.800 0.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.43115E-02 ppm1 0.830 ppm2 1.921 CV 1
OR { 2067}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 58 and name HB3 ))
OR { 2067}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 58 and name HB3 ))
ASSI { 2068}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HD2 ))
3.500 1.500 1.500 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 0.831 ppm2 3.252 CV 1
OR { 2068}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HD2 ))
OR { 2068}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 2070}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1928 and name HB3 ))
3.600 1.600 1.600 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.69147E-03 ppm1 0.833 ppm2 3.042 CV 1
OR { 2070}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HB3 ))
OR { 2070}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1928 and name HB3 ))
ASSI { 2072}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HD3 ))
4.000 2.000 2.000 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.98279E-03 ppm1 0.900 ppm2 3.705 CV 1
OR { 2072}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HD3 ))
OR { 2072}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 2073}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 58 and name HA ))
2.100 0.500 0.500 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.10131E-01 ppm1 0.901 ppm2 4.024 CV 1
OR { 2073}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 58 and name HA ))
OR { 2073}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 58 and name HA ))
ASSI { 2074}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 55 and name HA ))
4.100 2.100 1.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 0.902 ppm2 4.085 CV 1
OR { 2074}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 55 and name HA ))
OR { 2074}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 55 and name HA ))
ASSI { 2075}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1921 and name HA ))
4.400 2.400 1.600 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.11763E-02 ppm1 0.900 ppm2 4.255 CV 1
OR { 2075}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1921 and name HA ))
OR { 2075}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1921 and name HA ))
ASSI { 2076}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HD3 ))
4.400 2.400 1.600 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.72615E-03 ppm1 0.828 ppm2 3.700 CV 1
OR { 2076}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HD3 ))
OR { 2076}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 2077}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 58 and name HA ))
3.600 1.600 1.600 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.21355E-02 ppm1 0.831 ppm2 4.029 CV 1
OR { 2077}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 58 and name HA ))
OR { 2077}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 58 and name HA ))
ASSI { 2078}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 55 and name HA ))
3.400 1.400 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 0.831 ppm2 4.066 CV 1
OR { 2078}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 55 and name HA ))
OR { 2078}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 55 and name HA ))
ASSI { 2079}
(( segid "B " and resid 58 and name HD11))
( segid "B " and resid 78 and name HE% )
3.400 1.400 1.400 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.29653E-02 ppm1 0.901 ppm2 6.893 CV 1
OR { 2079}
(( segid "B " and resid 58 and name HD12))
( segid "B " and resid 78 and name HE% )
OR { 2079}
(( segid "B " and resid 58 and name HD13))
( segid "B " and resid 78 and name HE% )
ASSI { 2080}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 78 and name HZ ))
4.300 2.300 1.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 0.901 ppm2 6.820 CV 1
OR { 2080}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 78 and name HZ ))
OR { 2080}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 78 and name HZ ))
ASSI { 2081}
(( segid "B " and resid 58 and name HD12))
( segid "B " and resid 78 and name HD% )
3.700 1.700 1.700 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.12990E-02 ppm1 0.898 ppm2 7.013 CV 1
OR { 2081}
(( segid "B " and resid 58 and name HD11))
( segid "B " and resid 78 and name HD% )
OR { 2081}
(( segid "B " and resid 58 and name HD13))
( segid "B " and resid 78 and name HD% )
ASSI { 2082}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1928 and name HE% )
2.400 0.700 0.700 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.49466E-02 ppm1 0.901 ppm2 7.289 CV 1
OR { 2082}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 2082}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 2082}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 2082}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HD% )
ASSI { 2083}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
2.900 1.100 1.100 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.28894E-02 ppm1 0.902 ppm2 7.204 CV 1
OR { 2083}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
OR { 2083}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 2084}
(( segid "B " and resid 58 and name HD22))
( segid "B " and resid 78 and name HE% )
3.100 1.200 1.200 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 0.831 ppm2 6.897 CV 1
ASSI { 2085}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 78 and name HZ ))
3.600 1.600 1.600 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.72073E-03 ppm1 0.831 ppm2 6.817 CV 1
ASSI { 2086}
(( segid "B " and resid 58 and name HD22))
( segid "B " and resid 78 and name HD% )
3.700 1.800 1.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.52694E-03 ppm1 0.829 ppm2 7.011 CV 1
ASSI { 2087}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1928 and name HD% )
2.600 0.900 0.900 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 0.830 ppm2 7.287 CV 1
OR { 2087}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1928 and name HD% )
OR { 2087}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1928 and name HD% )
OR { 2087}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1928 and name HE% )
ASSI { 2088}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
2.900 2.900 3.100 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.28114E-02 ppm1 0.829 ppm2 7.199 CV 1
ASSI { 2089}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 59 and name H ))
4.000 2.000 2.000 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.13797E-02 ppm1 0.902 ppm2 8.264 CV 1
OR { 2089}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 59 and name H ))
OR { 2089}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 59 and name H ))
ASSI { 2090}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 58 and name H ))
3.300 1.300 1.300 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.40468E-02 ppm1 0.901 ppm2 7.998 CV 1
OR { 2090}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 58 and name H ))
OR { 2090}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 58 and name H ))
ASSI { 2091}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 59 and name H ))
2.500 2.500 3.500 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12509E-02 ppm1 0.827 ppm2 8.267 CV 1
OR { 2091}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 59 and name H ))
OR { 2091}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 59 and name H ))
ASSI { 2093}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 61 and name H ))
4.200 2.200 1.800 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.10615E-02 ppm1 0.902 ppm2 7.718 CV 1
OR { 2093}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 61 and name H ))
OR { 2093}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 61 and name H ))
ASSI { 2094}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name H ))
4.400 2.400 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.10511E-02 ppm1 1.461 ppm2 8.110 CV 1
ASSI { 2095}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name H ))
4.500 2.600 1.500 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.88090E-03 ppm1 1.378 ppm2 8.096 CV 1
ASSI { 2096}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 58 and name H ))
3.500 1.600 1.600 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 4.138 ppm2 8.335 CV 1
ASSI { 2097}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 58 and name H ))
4.100 2.100 1.900 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 1.876 ppm2 8.335 CV 1
ASSI { 2100}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name H ))
2.700 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.30151E-02 ppm1 4.137 ppm2 8.096 CV 1
ASSI { 2101}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 59 and name H ))
4.100 2.100 1.900 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.43047E-03 ppm1 4.138 ppm2 7.940 CV 1
ASSI { 2104}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HG3 ))
3.600 1.600 1.600 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 4.138 ppm2 1.465 CV 1
ASSI { 2105}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HB2 ))
2.500 0.800 0.800 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.31604E-02 ppm1 4.138 ppm2 1.879 CV 1
ASSI { 2106}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HB3 ))
2.900 1.000 1.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.29653E-02 ppm1 4.135 ppm2 1.911 CV 1
ASSI { 2107}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 56 and name HB3 ))
3.600 1.600 1.600 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.60672E-03 ppm1 4.137 ppm2 2.215 CV 1
ASSI { 2108}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HE3 ))
3.200 1.300 1.300 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.62990E-03 ppm1 4.141 ppm2 3.042 CV 1
OR { 2108}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HE2 ))
ASSI { 2110}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HE3 ))
3.000 1.100 1.100 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 1.378 ppm2 3.039 CV 1
OR { 2110}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HE2 ))
ASSI { 2111}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HE2 ))
2.800 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.34378E-02 ppm1 1.463 ppm2 3.039 CV 1
OR { 2111}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HE3 ))
ASSI { 2112}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 57 and name HG3 ))
3.000 1.100 1.100 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.18815E-02 ppm1 1.867 ppm2 1.462 CV 1
ASSI { 2113}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 57 and name HG2 ))
3.100 1.200 1.200 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 1.926 ppm2 1.378 CV 1
ASSI { 2115}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 57 and name HG2 ))
2.800 1.000 1.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.16441E-02 ppm1 1.867 ppm2 1.376 CV 1
ASSI { 2116}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 57 and name HG3 ))
2.800 1.000 1.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 1.927 ppm2 1.461 CV 1
ASSI { 2117}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HG2 ))
3.200 1.300 1.300 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 4.138 ppm2 1.377 CV 1
ASSI { 2118}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HG3 ))
2.500 0.800 0.800 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.44913E-02 ppm1 1.657 ppm2 1.464 CV 1
ASSI { 2119}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HG2 ))
2.800 1.000 1.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 1.651 ppm2 1.380 CV 1
ASSI { 2120}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HD3 ))
1.600 0.300 0.600 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.14334E-01 ppm1 1.654 ppm2 1.776 CV 1
ASSI { 2121}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HB3 ))
3.500 1.500 1.500 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 1.654 ppm2 1.923 CV 1
ASSI { 2123}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HB2 ))
3.300 1.400 1.400 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.12771E-02 ppm1 1.657 ppm2 1.880 CV 1
ASSI { 2124}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HE3 ))
2.400 0.700 0.700 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.52045E-02 ppm1 1.654 ppm2 3.038 CV 1
OR { 2124}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HE2 ))
ASSI { 2125}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HG2 ))
2.600 0.800 0.800 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.30043E-02 ppm1 1.780 ppm2 1.376 CV 1
ASSI { 2126}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HE2 ))
2.500 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.35395E-02 ppm1 1.780 ppm2 3.043 CV 1
OR { 2126}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HE3 ))
ASSI { 2127}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HA ))
3.200 1.300 1.300 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.30888E-02 ppm1 1.780 ppm2 4.138 CV 1
ASSI { 2128}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HA ))
3.100 1.200 1.200 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.19751E-02 ppm1 1.653 ppm2 4.135 CV 1
ASSI { 2130}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 60 and name H ))
3.100 1.200 1.200 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.13524E-02 ppm1 4.088 ppm2 8.037 CV 1
ASSI { 2131}
(( segid "B " and resid 57 and name HB2 ))
(( segid "B " and resid 57 and name H ))
2.300 0.700 0.700 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.35376E-02 ppm1 1.952 ppm2 7.988 CV 1
ASSI { 2132}
(( segid "B " and resid 57 and name HB3 ))
(( segid "B " and resid 57 and name H ))
3.300 1.300 1.300 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 1.907 ppm2 7.985 CV 1
ASSI { 2133}
(( segid "B " and resid 57 and name HG2 ))
(( segid "B " and resid 57 and name H ))
3.600 1.600 1.600 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 1.604 ppm2 7.985 CV 1
ASSI { 2134}
(( segid "B " and resid 57 and name HG3 ))
(( segid "B " and resid 57 and name H ))
2.600 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 1.481 ppm2 7.986 CV 1
ASSI { 2135}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HG2 ))
2.900 1.100 1.100 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.16953E-02 ppm1 4.091 ppm2 1.603 CV 1
ASSI { 2136}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HG3 ))
2.900 1.100 1.100 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.24537E-02 ppm1 4.090 ppm2 1.483 CV 1
ASSI { 2137}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HD3 ))
4.600 2.600 1.400 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.10014E-02 ppm1 4.092 ppm2 1.765 CV 1
ASSI { 2138}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HD2 ))
5.100 3.200 0.900 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.66807E-03 ppm1 4.092 ppm2 1.710 CV 1
ASSI { 2139}
(( segid "B " and resid 57 and name HD2 ))
(( segid "B " and resid 57 and name H ))
4.000 2.000 2.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.70729E-03 ppm1 1.708 ppm2 7.984 CV 1
ASSI { 2140}
(( segid "B " and resid 57 and name HD3 ))
(( segid "B " and resid 57 and name H ))
4.400 2.400 1.600 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.13925E-02 ppm1 1.765 ppm2 7.987 CV 1
ASSI { 2141}
(( segid "B " and resid 57 and name HE2 ))
(( segid "B " and resid 57 and name H ))
3.800 1.800 1.800 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.23150E-02 ppm1 3.016 ppm2 7.984 CV 1
ASSI { 2143}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 57 and name H ))
3.400 1.400 1.400 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 3.986 ppm2 8.099 CV 1
ASSI { 2144}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name H ))
2.500 0.800 0.800 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.31755E-02 ppm1 2.251 ppm2 7.919 CV 1
ASSI { 2145}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name H ))
2.700 0.900 0.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 2.214 ppm2 7.921 CV 1
ASSI { 2146}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 57 and name H ))
3.800 1.800 1.800 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.17282E-02 ppm1 2.256 ppm2 8.107 CV 1
ASSI { 2149}
(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 57 and name H ))
3.500 1.600 1.600 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 2.512 ppm2 8.100 CV 1
OR { 2149}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 57 and name H ))
ASSI { 2150}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 57 and name H ))
2.500 0.800 0.800 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.44587E-02 ppm1 2.514 ppm2 7.982 CV 1
ASSI { 2151}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name H ))
3.700 1.700 1.700 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.39018E-02 ppm1 2.513 ppm2 7.922 CV 1
OR { 2151}
(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 56 and name H ))
ASSI { 2152}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 56 and name H ))
2.300 0.700 0.700 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.57463E-02 ppm1 2.515 ppm2 8.368 CV 1
OR { 2152}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 56 and name H ))
ASSI { 2155}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HA ))
2.600 0.800 0.800 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.35376E-02 ppm1 2.250 ppm2 3.983 CV 1
ASSI { 2156}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HA ))
3.100 1.200 1.200 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.34010E-02 ppm1 2.210 ppm2 3.984 CV 1
ASSI { 2157}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 53 and name HA ))
3.300 1.400 1.400 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.18290E-02 ppm1 2.210 ppm2 4.241 CV 1
ASSI { 2158}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
2.700 0.900 0.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 2.251 ppm2 4.240 CV 1
ASSI { 2159}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 56 and name HA ))
2.800 1.000 1.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.95396E-02 ppm1 2.514 ppm2 4.018 CV 1
OR { 2159}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 56 and name HA ))
ASSI { 2161}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 57 and name HA ))
3.300 1.400 1.400 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 2.514 ppm2 4.102 CV 1
OR { 2161}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 57 and name HA ))
ASSI { 2163}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 53 and name HB3 ))
3.500 1.500 1.500 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.28612E-02 ppm1 2.514 ppm2 1.519 CV 1
OR { 2163}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 53 and name HB1 ))
OR { 2163}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 53 and name HB2 ))
OR { 2163}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 53 and name HB3 ))
OR { 2163}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 53 and name HB1 ))
OR { 2163}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 53 and name HB2 ))
ASSI { 2166}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 56 and name HG3 ))
2.800 1.000 1.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.37956E-02 ppm1 3.988 ppm2 2.514 CV 1
OR { 2166}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 56 and name HG2 ))
ASSI { 2168}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 57 and name H ))
3.200 1.300 1.300 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.40858E-02 ppm1 2.275 ppm2 7.983 CV 1
OR { 2168}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 57 and name H ))
ASSI { 2170}
(( segid "B " and resid 56 and name HA ))
(( segid "B " and resid 57 and name H ))
3.100 1.200 1.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.18934E-02 ppm1 4.027 ppm2 7.981 CV 1
ASSI { 2171}
(( segid "B " and resid 56 and name HA ))
(( segid "B " and resid 59 and name H ))
3.200 1.300 1.300 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 4.024 ppm2 8.262 CV 1
ASSI { 2173}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 31 and name HD2 ))
4.000 2.000 2.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.87809E-03 ppm1 2.273 ppm2 1.773 CV 1
OR { 2173}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 31 and name HD3 ))
OR { 2173}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 31 and name HD3 ))
OR { 2173}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 31 and name HD2 ))
ASSI { 2174}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 57 and name HB2 ))
5.100 3.200 0.900 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.71898E-03 ppm1 2.268 ppm2 1.933 CV 1
OR { 2174}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 57 and name HB2 ))
ASSI { 2175}
(( segid "B " and resid 56 and name HA ))
(( segid "B " and resid 56 and name HB2 ))
2.300 0.700 0.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.66177E-02 ppm1 4.029 ppm2 2.272 CV 1
OR { 2175}
(( segid "B " and resid 56 and name HA ))
(( segid "B " and resid 56 and name HB3 ))
ASSI { 2176}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 56 and name HG2 ))
2.100 0.600 0.600 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.12472E-01 ppm1 2.274 ppm2 2.514 CV 1
OR { 2176}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 56 and name HG3 ))
OR { 2176}
(( segid "B " and resid 56 and name HB2 ))
(( segid "B " and resid 56 and name HG2 ))
OR { 2176}
(( segid "B " and resid 56 and name HB3 ))
(( segid "B " and resid 56 and name HG3 ))
ASSI { 2180}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 56 and name H ))
3.800 1.800 1.800 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.67129E-03 ppm1 4.250 ppm2 7.915 CV 1
ASSI { 2181}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name H ))
3.500 1.600 1.600 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.78878E-03 ppm1 4.249 ppm2 8.333 CV 1
ASSI { 2187}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 55 and name H ))
2.500 0.800 0.800 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.32838E-02 ppm1 4.078 ppm2 7.986 CV 1
ASSI { 2188}
(( segid "B " and resid 55 and name HB2 ))
(( segid "B " and resid 55 and name H ))
2.400 0.700 0.700 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.36048E-02 ppm1 3.080 ppm2 7.985 CV 1
OR { 2188}
(( segid "B " and resid 55 and name HB3 ))
(( segid "B " and resid 55 and name H ))
ASSI { 2190}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 55 and name HB2 ))
2.600 0.900 0.900 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.27485E-02 ppm1 4.079 ppm2 3.082 CV 1
OR { 2190}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 55 and name HB3 ))
ASSI { 2192}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 55 and name H ))
2.600 0.900 0.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.50483E-02 ppm1 1.315 ppm2 7.779 CV 1
OR { 2192}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 55 and name H ))
OR { 2192}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 55 and name H ))
ASSI { 2193}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 54 and name H ))
2.100 0.600 0.600 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.15689E-01 ppm1 1.315 ppm2 7.876 CV 1
OR { 2193}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 54 and name H ))
OR { 2193}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 54 and name H ))
ASSI { 2195}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name H ))
3.300 1.400 1.400 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 4.095 ppm2 8.106 CV 1
ASSI { 2198}
(( segid "A " and resid 54 and name HB3 ))
( segid "A " and resid 55 and name HD% )
3.000 1.100 1.100 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.33555E-02 ppm1 1.316 ppm2 7.218 CV 1
OR { 2198}
(( segid "A " and resid 54 and name HB2 ))
( segid "A " and resid 55 and name HD% )
OR { 2198}
(( segid "A " and resid 54 and name HB1 ))
( segid "A " and resid 55 and name HD% )
ASSI { 2199}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HE21))
3.500 1.500 1.500 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.10775E-02 ppm1 1.315 ppm2 7.106 CV 1
OR { 2199}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HE21))
OR { 2199}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HE21))
ASSI { 2200}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HE22))
3.800 1.800 1.800 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.96003E-03 ppm1 1.315 ppm2 6.487 CV 1
OR { 2200}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HE22))
OR { 2200}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HE22))
ASSI { 2201}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 51 and name H ))
3.000 1.100 1.100 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.39819E-02 ppm1 1.314 ppm2 8.237 CV 1
OR { 2201}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 51 and name H ))
OR { 2201}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 51 and name H ))
ASSI { 2202}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 53 and name H ))
3.500 1.500 1.500 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.31213E-02 ppm1 1.316 ppm2 8.332 CV 1
OR { 2202}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 53 and name H ))
OR { 2202}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 53 and name H ))
ASSI { 2203}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 50 and name HA ))
2.800 1.000 1.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 1.315 ppm2 4.433 CV 1
OR { 2203}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 50 and name HA ))
OR { 2203}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 50 and name HA ))
ASSI { 2204}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HD2 ))
3.600 1.600 1.600 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.30455E-02 ppm1 1.322 ppm2 3.240 CV 1
OR { 2204}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HD2 ))
OR { 2204}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 2205}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 51 and name HB3 ))
4.000 2.000 2.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 1.320 ppm2 2.853 CV 1
OR { 2205}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 51 and name HB3 ))
OR { 2205}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 51 and name HB3 ))
ASSI { 2206}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 51 and name HB2 ))
2.600 2.600 3.400 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.94008E-03 ppm1 1.315 ppm2 2.947 CV 1
OR { 2206}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 51 and name HB2 ))
OR { 2206}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 2207}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HG2 ))
3.100 1.200 1.200 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.24299E-02 ppm1 1.315 ppm2 2.226 CV 1
OR { 2207}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HG2 ))
OR { 2207}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 2208}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HG3 ))
3.300 1.300 1.300 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.14159E-02 ppm1 1.317 ppm2 2.151 CV 1
OR { 2208}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HG3 ))
OR { 2208}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HG3 ))
ASSI { 2209}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HB3 ))
2.300 2.300 3.700 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.46344E-02 ppm1 1.315 ppm2 2.067 CV 1
OR { 2209}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HB3 ))
ASSI { 2211}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 46 and name HB3 ))
3.000 3.000 3.000 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 1.314 ppm2 1.805 CV 1
OR { 2211}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 46 and name HB3 ))
OR { 2211}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 2215}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HB1 ))
2.300 0.700 0.700 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.90108E-02 ppm1 4.095 ppm2 1.315 CV 1
OR { 2215}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HB2 ))
OR { 2215}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HB3 ))
ASSI { 2216}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HB2 ))
4.100 2.100 1.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.75821E-03 ppm1 4.098 ppm2 1.513 CV 1
OR { 2216}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
OR { 2216}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HB1 ))
ASSI { 2220}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HB2 ))
3.800 1.800 1.800 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.74804E-03 ppm1 4.097 ppm2 1.856 CV 1
ASSI { 2221}
(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 55 and name HB2 ))
4.500 2.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.72528E-03 ppm1 1.314 ppm2 3.169 CV 1
OR { 2221}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 55 and name HB2 ))
OR { 2221}
(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 55 and name HB2 ))
ASSI { 2222}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 54 and name HB3 ))
2.300 0.700 0.700 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.74891E-02 ppm1 4.127 ppm2 1.324 CV 1
OR { 2222}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 54 and name HB1 ))
OR { 2222}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 54 and name HB2 ))
ASSI { 2225}
(( segid "B " and resid 54 and name HA ))
(( segid "C " and resid 1927 and name HB2 ))
3.600 1.600 1.600 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.25404E-02 ppm1 4.125 ppm2 1.902 CV 1
OR { 2225}
(( segid "B " and resid 54 and name HA ))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 2226}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 54 and name H ))
2.500 0.800 0.800 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.52501E-02 ppm1 4.128 ppm2 7.995 CV 1
ASSI { 2228}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 56 and name H ))
4.100 2.100 1.900 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.51241E-03 ppm1 4.127 ppm2 8.362 CV 1
ASSI { 2229}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 55 and name H ))
2.000 0.500 0.500 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.22370E-01 ppm1 1.325 ppm2 7.993 CV 1
OR { 2229}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 55 and name H ))
OR { 2229}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 55 and name H ))
ASSI { 2231}
(( segid "B " and resid 54 and name HB2 ))
( segid "C " and resid 1928 and name HD% )
4.200 2.200 1.800 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 1.324 ppm2 7.299 CV 1
OR { 2231}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
OR { 2231}
(( segid "B " and resid 54 and name HB1 ))
( segid "C " and resid 1928 and name HD% )
OR { 2231}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1928 and name HE% )
ASSI { 2232}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 50 and name HA ))
3.100 1.200 1.200 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.40164E-02 ppm1 1.321 ppm2 4.238 CV 1
OR { 2232}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 50 and name HA ))
OR { 2232}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 50 and name HA ))
ASSI { 2234}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HA ))
3.700 1.700 1.700 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.11761E-02 ppm1 1.326 ppm2 4.623 CV 1
OR { 2234}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HA ))
OR { 2234}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HA ))
ASSI { 2235}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 55 and name HB2 ))
3.800 1.800 1.800 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.20334E-02 ppm1 1.324 ppm2 3.086 CV 1
OR { 2235}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 55 and name HB2 ))
OR { 2235}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 55 and name HB2 ))
OR { 2235}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 55 and name HB3 ))
OR { 2235}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 55 and name HB3 ))
ASSI { 2236}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 51 and name HB2 ))
3.000 1.100 1.100 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.21598E-02 ppm1 1.323 ppm2 3.040 CV 1
OR { 2236}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 51 and name HB2 ))
OR { 2236}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 51 and name HB2 ))
ASSI { 2237}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HD3 ))
3.200 1.200 1.200 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.19836E-02 ppm1 1.326 ppm2 3.702 CV 1
OR { 2237}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HD3 ))
OR { 2237}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 2238}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HB3 ))
2.300 0.700 0.700 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 1.325 ppm2 1.885 CV 1
OR { 2238}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HB3 ))
OR { 2238}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 2240}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HG3 ))
3.000 1.100 1.100 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 1.324 ppm2 1.609 CV 1
OR { 2240}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HG3 ))
OR { 2240}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HG3 ))
ASSI { 2241}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 50 and name HG21))
3.800 1.800 1.800 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.36048E-02 ppm1 1.325 ppm2 1.030 CV 1
OR { 2241}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 50 and name HG21))
OR { 2241}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 50 and name HG22))
OR { 2241}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 50 and name HG21))
OR { 2241}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 50 and name HG22))
OR { 2241}
(( segid "B " and resid 54 and name HB2 ))
(( segid "B " and resid 50 and name HG23))
OR { 2241}
(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 50 and name HG22))
OR { 2241}
(( segid "B " and resid 54 and name HB3 ))
(( segid "B " and resid 50 and name HG23))
ASSI { 2244}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
2.000 0.500 0.500 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.22651E-01 ppm1 4.238 ppm2 1.522 CV 1
OR { 2244}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HB1 ))
OR { 2244}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HB2 ))
ASSI { 2245}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 52 and name HB2 ))
3.300 1.400 1.400 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 4.238 ppm2 2.176 CV 1
ASSI { 2246}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 56 and name HG3 ))
3.900 1.900 1.900 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 4.238 ppm2 2.515 CV 1
OR { 2246}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 56 and name HG2 ))
ASSI { 2247}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 51 and name HB2 ))
3.600 1.600 1.600 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.10019E-02 ppm1 1.514 ppm2 2.956 CV 1
OR { 2247}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 51 and name HB2 ))
OR { 2247}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 2248}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 51 and name HB3 ))
3.900 1.900 1.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.10127E-02 ppm1 1.520 ppm2 2.864 CV 1
OR { 2248}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 51 and name HB3 ))
ASSI { 2249}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 52 and name HG2 ))
3.900 1.900 1.900 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 1.515 ppm2 2.419 CV 1
OR { 2249}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 52 and name HG2 ))
OR { 2249}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 52 and name HG2 ))
ASSI { 2250}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 54 and name H ))
2.300 0.700 0.700 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.10417E-01 ppm1 1.515 ppm2 7.878 CV 1
OR { 2250}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 54 and name H ))
OR { 2250}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 54 and name H ))
ASSI { 2251}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 53 and name H ))
2.100 0.500 0.500 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.20549E-01 ppm1 1.513 ppm2 8.330 CV 1
OR { 2251}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 53 and name H ))
OR { 2251}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 53 and name H ))
ASSI { 2252}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 55 and name H ))
4.100 2.100 1.900 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.11321E-02 ppm1 1.511 ppm2 7.781 CV 1
OR { 2252}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 55 and name H ))
OR { 2252}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 55 and name H ))
ASSI { 2254}
(( segid "A " and resid 53 and name HB2 ))
( segid "A " and resid 55 and name HD% )
4.900 3.000 1.100 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.57657E-03 ppm1 1.515 ppm2 7.212 CV 1
OR { 2254}
(( segid "A " and resid 53 and name HB1 ))
( segid "A " and resid 55 and name HD% )
OR { 2254}
(( segid "A " and resid 53 and name HB3 ))
( segid "A " and resid 55 and name HD% )
ASSI { 2255}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 56 and name HE22))
4.700 2.800 1.300 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.57201E-03 ppm1 1.516 ppm2 6.939 CV 1
OR { 2255}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 56 and name HE22))
OR { 2255}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 56 and name HE22))
ASSI { 2256}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 54 and name H ))
3.300 1.400 1.400 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.18314E-02 ppm1 4.241 ppm2 7.882 CV 1
ASSI { 2257}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 55 and name H ))
4.000 2.000 2.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.62839E-03 ppm1 4.242 ppm2 7.779 CV 1
ASSI { 2259}
(( segid "A " and resid 53 and name HB1 ))
(( segid "A " and resid 52 and name H ))
4.300 2.300 1.700 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 1.515 ppm2 8.789 CV 1
OR { 2259}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 52 and name H ))
OR { 2259}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 52 and name H ))
ASSI { 2260}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 56 and name HB3 ))
2.800 1.000 1.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.52804E-02 ppm1 4.238 ppm2 2.270 CV 1
OR { 2260}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 56 and name HB2 ))
ASSI { 2261}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 56 and name HB3 ))
3.600 1.700 1.700 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.40012E-02 ppm1 1.531 ppm2 2.273 CV 1
OR { 2261}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 56 and name HB3 ))
OR { 2261}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 56 and name HB3 ))
OR { 2261}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 56 and name HB2 ))
OR { 2261}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 56 and name HB2 ))
ASSI { 2262}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 52 and name HB3 ))
3.500 1.500 1.500 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.28027E-02 ppm1 1.527 ppm2 2.148 CV 1
OR { 2262}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 52 and name HB3 ))
OR { 2262}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 52 and name HB3 ))
ASSI { 2263}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 57 and name HE2 ))
3.100 1.200 1.200 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.28244E-02 ppm1 1.532 ppm2 3.023 CV 1
OR { 2263}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 57 and name HE2 ))
OR { 2263}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 57 and name HE2 ))
OR { 2263}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 57 and name HE3 ))
OR { 2263}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 57 and name HE3 ))
ASSI { 2264}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 54 and name HA ))
3.400 1.500 1.500 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.17618E-02 ppm1 1.529 ppm2 4.122 CV 1
OR { 2264}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 54 and name HA ))
OR { 2264}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 54 and name HA ))
ASSI { 2265}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 54 and name H ))
2.500 0.800 0.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.12564E-01 ppm1 1.532 ppm2 7.999 CV 1
OR { 2265}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 54 and name H ))
OR { 2265}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 54 and name H ))
ASSI { 2266}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 56 and name H ))
3.600 1.600 1.600 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.35592E-02 ppm1 1.538 ppm2 8.388 CV 1
OR { 2266}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 56 and name H ))
OR { 2266}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 56 and name H ))
ASSI { 2267}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 52 and name H ))
4.400 2.400 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11896E-02 ppm1 1.530 ppm2 8.631 CV 1
OR { 2267}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 52 and name H ))
OR { 2267}
(( segid "B " and resid 53 and name HB1 ))
(( segid "B " and resid 52 and name H ))
ASSI { 2268}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 54 and name H ))
2.900 1.100 1.100 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.25881E-02 ppm1 4.238 ppm2 7.994 CV 1
ASSI { 2273}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 53 and name H ))
2.800 1.000 1.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.37588E-02 ppm1 2.170 ppm2 8.339 CV 1
ASSI { 2276}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 55 and name H ))
3.800 1.800 1.800 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 4.174 ppm2 7.776 CV 1
ASSI { 2277}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 53 and name H ))
4.100 2.100 1.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 2.417 ppm2 8.332 CV 1
OR { 2277}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 53 and name H ))
ASSI { 2278}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 52 and name H ))
2.600 0.800 0.800 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.40600E-02 ppm1 2.418 ppm2 8.786 CV 1
OR { 2278}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 52 and name H ))
ASSI { 2279}
(( segid "A " and resid 52 and name HG2 ))
( segid "A " and resid 55 and name HD% )
4.200 2.200 1.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 2.415 ppm2 7.229 CV 1
OR { 2279}
(( segid "A " and resid 52 and name HG3 ))
( segid "A " and resid 55 and name HD% )
ASSI { 2280}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 52 and name HA ))
3.000 1.200 1.200 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.37197E-02 ppm1 2.166 ppm2 4.174 CV 1
ASSI { 2281}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 52 and name HA ))
2.500 0.800 0.800 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.40619E-02 ppm1 2.130 ppm2 4.175 CV 1
ASSI { 2282}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 52 and name HA ))
2.600 0.800 0.800 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.58806E-02 ppm1 2.418 ppm2 4.174 CV 1
OR { 2282}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 52 and name HA ))
ASSI { 2285}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 53 and name HB1 ))
4.600 2.600 1.400 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.74003E-03 ppm1 4.175 ppm2 1.513 CV 1
OR { 2285}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 53 and name HB2 ))
OR { 2285}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
ASSI { 2286}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 55 and name HB2 ))
2.800 1.000 1.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.12208E-02 ppm1 4.175 ppm2 3.170 CV 1
ASSI { 2289}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 55 and name HB3 ))
4.300 2.300 1.700 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.13309E-02 ppm1 2.418 ppm2 3.043 CV 1
OR { 2289}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 2290}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 53 and name HB1 ))
4.500 2.500 1.500 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.13940E-02 ppm1 2.419 ppm2 1.512 CV 1
OR { 2290}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 53 and name HB2 ))
OR { 2290}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 53 and name HB3 ))
OR { 2290}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 53 and name HB1 ))
OR { 2290}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 53 and name HB2 ))
ASSI { 2291}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 35 and name HD3 ))
3.000 1.100 1.100 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 2.417 ppm2 1.384 CV 1
OR { 2291}
(( segid "A " and resid 52 and name HG2 ))
(( segid "A " and resid 35 and name HD2 ))
OR { 2291}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 35 and name HD3 ))
OR { 2291}
(( segid "A " and resid 52 and name HG3 ))
(( segid "A " and resid 35 and name HD2 ))
ASSI { 2296}
(( segid "B " and resid 52 and name HA ))
(( segid "B " and resid 55 and name H ))
3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 4.279 ppm2 7.985 CV 1
ASSI { 2297}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 88 and name H ))
3.500 1.500 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.68692E-03 ppm1 4.276 ppm2 7.705 CV 1
ASSI { 2298}
(( segid "B " and resid 52 and name HA ))
( segid "B " and resid 55 and name HD% )
3.600 1.600 1.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.16985E-02 ppm1 4.280 ppm2 7.167 CV 1
ASSI { 2299}
(( segid "B " and resid 52 and name HB3 ))
(( segid "B " and resid 52 and name H ))
3.100 1.200 1.200 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.29068E-02 ppm1 2.135 ppm2 8.634 CV 1
ASSI { 2300}
(( segid "B " and resid 52 and name HB2 ))
(( segid "B " and resid 52 and name H ))
2.600 0.800 0.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.26228E-02 ppm1 2.176 ppm2 8.632 CV 1
ASSI { 2301}
(( segid "B " and resid 52 and name HB2 ))
(( segid "B " and resid 53 and name H ))
2.800 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.31929E-02 ppm1 2.172 ppm2 8.342 CV 1
ASSI { 2302}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 53 and name H ))
3.700 1.700 1.700 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.20343E-02 ppm1 2.457 ppm2 8.351 CV 1
OR { 2302}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 53 and name H ))
ASSI { 2303}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 52 and name H ))
3.000 1.200 1.200 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.42963E-02 ppm1 2.456 ppm2 8.634 CV 1
OR { 2303}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 52 and name H ))
ASSI { 2304}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 55 and name H ))
4.300 2.300 1.700 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.95157E-03 ppm1 2.453 ppm2 7.984 CV 1
OR { 2304}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 55 and name H ))
ASSI { 2305}
(( segid "B " and resid 52 and name HA ))
(( segid "B " and resid 55 and name HB2 ))
2.900 1.100 1.100 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.24927E-02 ppm1 4.280 ppm2 3.084 CV 1
OR { 2305}
(( segid "B " and resid 52 and name HA ))
(( segid "B " and resid 55 and name HB3 ))
ASSI { 2307}
(( segid "B " and resid 52 and name HB3 ))
(( segid "B " and resid 52 and name HA ))
2.700 0.900 0.900 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.45843E-02 ppm1 2.136 ppm2 4.277 CV 1
ASSI { 2308}
(( segid "B " and resid 52 and name HB2 ))
(( segid "B " and resid 52 and name HA ))
2.800 1.000 1.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.38388E-02 ppm1 2.183 ppm2 4.284 CV 1
ASSI { 2309}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 52 and name HA ))
2.700 0.900 0.900 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.60301E-02 ppm1 2.455 ppm2 4.277 CV 1
OR { 2309}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 52 and name HA ))
ASSI { 2310}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 51 and name HB2 ))
4.600 2.700 1.400 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 2.455 ppm2 3.055 CV 1
OR { 2310}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 51 and name HB2 ))
ASSI { 2311}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 53 and name HB2 ))
4.100 2.100 1.900 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 2.458 ppm2 1.528 CV 1
OR { 2311}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 53 and name HB2 ))
OR { 2311}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 53 and name HB3 ))
OR { 2311}
(( segid "B " and resid 52 and name HG2 ))
(( segid "B " and resid 53 and name HB1 ))
OR { 2311}
(( segid "B " and resid 52 and name HG3 ))
(( segid "B " and resid 53 and name HB1 ))
ASSI { 2316}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 53 and name H ))
3.800 1.800 1.800 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 2.849 ppm2 8.338 CV 1
ASSI { 2319}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HB3 ))
1.800 0.400 0.400 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.10361E-01 ppm1 2.957 ppm2 2.850 CV 1
ASSI { 2321}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 52 and name HB2 ))
5.400 3.600 0.600 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.63032E-03 ppm1 2.961 ppm2 2.146 CV 1
OR { 2321}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 2325}
(( segid "B " and resid 51 and name HB3 ))
(( segid "B " and resid 51 and name H ))
3.600 1.600 1.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.18130E-02 ppm1 2.860 ppm2 7.970 CV 1
ASSI { 2328}
(( segid "B " and resid 51 and name HB3 ))
(( segid "B " and resid 51 and name HA ))
2.600 0.800 0.800 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.42724E-02 ppm1 2.857 ppm2 4.783 CV 1
ASSI { 2331}
(( segid "A " and resid 50 and name HB ))
(( segid "A " and resid 39 and name HG21))
3.700 1.700 1.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 4.485 ppm2 1.352 CV 1
OR { 2331}
(( segid "A " and resid 50 and name HB ))
(( segid "A " and resid 39 and name HG22))
OR { 2331}
(( segid "A " and resid 50 and name HB ))
(( segid "A " and resid 39 and name HG23))
ASSI { 2333}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 46 and name HB3 ))
2.800 1.000 1.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.32081E-02 ppm1 1.171 ppm2 1.819 CV 1
OR { 2333}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 46 and name HB3 ))
OR { 2333}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 46 and name HB3 ))
OR { 2333}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 46 and name HB2 ))
OR { 2333}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 46 and name HB2 ))
ASSI { 2334}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 46 and name HG ))
3.700 1.700 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.17506E-02 ppm1 1.171 ppm2 1.954 CV 1
OR { 2334}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 46 and name HG ))
OR { 2334}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 46 and name HG ))
ASSI { 2335}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 50 and name HB ))
1.800 0.400 0.400 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.22890E-01 ppm1 1.171 ppm2 4.478 CV 1
OR { 2335}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 50 and name HB ))
OR { 2335}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 50 and name HB ))
ASSI { 2336}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 50 and name HA ))
2.100 0.500 0.500 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.13573E-01 ppm1 1.169 ppm2 4.426 CV 1
OR { 2336}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 50 and name HA ))
OR { 2336}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 50 and name HA ))
ASSI { 2337}
(( segid "A " and resid 50 and name HA ))
( segid "A " and resid 55 and name HD% )
2.900 1.100 1.100 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.35202E-02 ppm1 4.427 ppm2 7.220 CV 1
ASSI { 2339}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 51 and name H ))
2.300 0.600 0.600 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.54428E-02 ppm1 4.427 ppm2 8.236 CV 1
ASSI { 2340}
(( segid "A " and resid 50 and name HB ))
( segid "A " and resid 55 and name HD% )
3.000 1.100 1.100 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.16313E-02 ppm1 4.482 ppm2 7.218 CV 1
ASSI { 2343}
(( segid "A " and resid 50 and name HB ))
(( segid "A " and resid 51 and name H ))
3.800 1.800 1.800 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.91777E-03 ppm1 4.483 ppm2 8.242 CV 1
ASSI { 2344}
(( segid "A " and resid 50 and name HG21))
( segid "A " and resid 55 and name HD% )
2.800 1.000 1.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.60259E-02 ppm1 1.171 ppm2 7.218 CV 1
OR { 2344}
(( segid "A " and resid 50 and name HG23))
( segid "A " and resid 55 and name HD% )
OR { 2344}
(( segid "A " and resid 50 and name HG22))
( segid "A " and resid 55 and name HD% )
ASSI { 2345}
(( segid "A " and resid 50 and name HG23))
(( segid "C " and resid 1897 and name HE22))
3.600 1.600 1.600 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 1.171 ppm2 6.483 CV 1
OR { 2345}
(( segid "A " and resid 50 and name HG22))
(( segid "C " and resid 1897 and name HE22))
OR { 2345}
(( segid "A " and resid 50 and name HG21))
(( segid "C " and resid 1897 and name HE22))
ASSI { 2346}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 50 and name H ))
3.200 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.31582E-02 ppm1 1.171 ppm2 8.291 CV 1
OR { 2346}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 50 and name H ))
OR { 2346}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 50 and name H ))
ASSI { 2347}
(( segid "A " and resid 50 and name HG23))
(( segid "A " and resid 51 and name H ))
3.800 1.800 1.800 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.33274E-02 ppm1 1.172 ppm2 8.242 CV 1
OR { 2347}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 51 and name H ))
OR { 2347}
(( segid "A " and resid 50 and name HG22))
(( segid "A " and resid 51 and name H ))
ASSI { 2350}
(( segid "B " and resid 50 and name HA ))
( segid "B " and resid 55 and name HE% )
3.900 1.900 1.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 4.230 ppm2 7.261 CV 1
ASSI { 2351}
(( segid "B " and resid 50 and name HB ))
( segid "B " and resid 55 and name HE% )
2.600 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 4.353 ppm2 7.253 CV 1
ASSI { 2353}
(( segid "B " and resid 50 and name HG22))
( segid "B " and resid 55 and name HE% )
2.500 0.800 0.800 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.42182E-02 ppm1 1.029 ppm2 7.248 CV 1
OR { 2353}
(( segid "B " and resid 50 and name HG23))
( segid "B " and resid 55 and name HE% )
OR { 2353}
(( segid "B " and resid 50 and name HG21))
( segid "B " and resid 55 and name HE% )
ASSI { 2354}
(( segid "B " and resid 50 and name HG22))
( segid "B " and resid 55 and name HD% )
3.900 1.900 1.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 1.029 ppm2 7.180 CV 1
OR { 2354}
(( segid "B " and resid 50 and name HG21))
( segid "B " and resid 55 and name HD% )
OR { 2354}
(( segid "B " and resid 50 and name HG23))
( segid "B " and resid 55 and name HD% )
ASSI { 2355}
(( segid "B " and resid 50 and name HG22))
( segid "C " and resid 1928 and name HD% )
3.100 1.200 1.200 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.23193E-02 ppm1 1.030 ppm2 7.299 CV 1
OR { 2355}
(( segid "B " and resid 50 and name HG21))
( segid "C " and resid 1928 and name HD% )
OR { 2355}
(( segid "B " and resid 50 and name HG23))
( segid "C " and resid 1928 and name HD% )
ASSI { 2356}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 80 and name H ))
3.600 1.700 1.700 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 1.027 ppm2 8.248 CV 1
OR { 2356}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 80 and name H ))
OR { 2356}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 80 and name H ))
ASSI { 2358}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 50 and name HB ))
1.800 0.400 0.400 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.18136E-01 ppm1 1.030 ppm2 4.352 CV 1
OR { 2358}
(( segid "B " and resid 50 and name HG21))
(( segid "B " and resid 50 and name HB ))
OR { 2358}
(( segid "B " and resid 50 and name HG23))
(( segid "B " and resid 50 and name HB ))
ASSI { 2359}
(( segid "B " and resid 50 and name HG21))
(( segid "B " and resid 50 and name HA ))
2.100 0.500 0.500 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.12071E-01 ppm1 1.029 ppm2 4.233 CV 1
OR { 2359}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 50 and name HA ))
OR { 2359}
(( segid "B " and resid 50 and name HG23))
(( segid "B " and resid 50 and name HA ))
ASSI { 2360}
(( segid "B " and resid 50 and name HA ))
(( segid "B " and resid 50 and name HB ))
2.000 0.500 0.500 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.55058E-02 ppm1 4.229 ppm2 4.352 CV 1
ASSI { 2363}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HB3 ))
2.900 1.100 1.100 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 1.030 ppm2 1.898 CV 1
OR { 2363}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HB3 ))
OR { 2363}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HB2 ))
OR { 2363}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HB2 ))
OR { 2363}
(( segid "B " and resid 50 and name HG23))
(( segid "C " and resid 1927 and name HB2 ))
ASSI { 2370}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name H ))
2.600 0.800 0.800 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.46625E-02 ppm1 4.540 ppm2 8.258 CV 1
ASSI { 2375}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name H ))
5.100 3.200 0.900 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 3.316 ppm2 8.251 CV 1
ASSI { 2376}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name H ))
5.300 3.500 0.700 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.61647E-03 ppm1 3.230 ppm2 8.256 CV 1
ASSI { 2378}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HA ))
3.000 1.100 1.100 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.16523E-02 ppm1 1.830 ppm2 4.545 CV 1
ASSI { 2379}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HD2 ))
4.900 3.100 1.100 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 4.547 ppm2 3.320 CV 1
ASSI { 2380}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD2 ))
3.900 1.900 1.900 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.94160E-03 ppm1 1.974 ppm2 3.319 CV 1
ASSI { 2381}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD3 ))
3.200 1.300 1.300 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.99341E-03 ppm1 1.972 ppm2 3.234 CV 1
ASSI { 2383}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HD2 ))
2.500 0.800 0.800 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 1.783 ppm2 3.319 CV 1
ASSI { 2384}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HD3 ))
2.900 1.100 1.100 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 1.784 ppm2 3.232 CV 1
ASSI { 2385}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HA ))
3.800 1.800 1.800 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.16376E-02 ppm1 1.783 ppm2 4.544 CV 1
ASSI { 2386}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name HA ))
3.400 1.400 1.400 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.32145E-02 ppm1 1.653 ppm2 4.537 CV 1
ASSI { 2387}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HB2 ))
2.600 0.800 0.800 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.41294E-02 ppm1 4.543 ppm2 1.974 CV 1
ASSI { 2389}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 54 and name HB2 ))
4.500 2.500 1.500 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.70316E-03 ppm1 4.546 ppm2 1.309 CV 1
OR { 2389}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 54 and name HB3 ))
OR { 2389}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 54 and name HB1 ))
ASSI { 2390}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 50 and name HG22))
4.200 2.200 1.800 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 4.549 ppm2 1.167 CV 1
OR { 2390}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 50 and name HG23))
OR { 2390}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 50 and name HG21))
ASSI { 2391}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 54 and name HB2 ))
3.400 3.400 2.600 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.19606E-02 ppm1 1.978 ppm2 1.314 CV 1
OR { 2391}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 54 and name HB3 ))
OR { 2391}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 54 and name HB1 ))
ASSI { 2393}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HG3 ))
2.500 0.800 0.800 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.32470E-02 ppm1 1.973 ppm2 1.651 CV 1
ASSI { 2394}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 54 and name HB2 ))
4.100 2.100 1.900 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.98063E-03 ppm1 1.779 ppm2 1.314 CV 1
OR { 2394}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 54 and name HB1 ))
OR { 2394}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 54 and name HB3 ))
ASSI { 2396}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 54 and name HB2 ))
2.700 2.700 3.300 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.89000E-03 ppm1 3.315 ppm2 1.311 CV 1
OR { 2396}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 54 and name HB1 ))
OR { 2396}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 54 and name HB3 ))
ASSI { 2398}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 54 and name HB2 ))
2.500 2.500 3.500 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 3.237 ppm2 1.309 CV 1
OR { 2398}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 54 and name HB1 ))
OR { 2398}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 54 and name HB3 ))
ASSI { 2399}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 50 and name HG23))
3.900 1.900 1.900 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 4.517 ppm2 1.035 CV 1
OR { 2399}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 50 and name HG21))
OR { 2399}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 50 and name HG22))
ASSI { 2400}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 49 and name HB2 ))
2.400 0.700 0.700 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.45801E-02 ppm1 4.517 ppm2 1.883 CV 1
ASSI { 2401}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 49 and name HB3 ))
2.900 1.000 1.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.35938E-02 ppm1 4.517 ppm2 1.756 CV 1
ASSI { 2402}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 49 and name HG3 ))
3.200 1.300 1.300 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.17733E-02 ppm1 4.519 ppm2 1.659 CV 1
ASSI { 2403}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 49 and name HG2 ))
3.600 1.600 1.600 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.27485E-02 ppm1 4.518 ppm2 1.584 CV 1
ASSI { 2405}
(( segid "B " and resid 49 and name HA ))
(( segid "B " and resid 49 and name HD3 ))
2.400 0.700 0.700 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 4.517 ppm2 3.236 CV 1
ASSI { 2407}
(( segid "B " and resid 49 and name HB2 ))
(( segid "B " and resid 49 and name HG3 ))
3.200 1.200 1.200 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 1.884 ppm2 1.658 CV 1
ASSI { 2408}
(( segid "B " and resid 49 and name HB2 ))
(( segid "B " and resid 49 and name HG2 ))
2.500 0.800 0.800 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.35634E-02 ppm1 1.884 ppm2 1.583 CV 1
ASSI { 2409}
(( segid "B " and resid 49 and name HB2 ))
(( segid "B " and resid 49 and name HB3 ))
1.600 0.300 0.600 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.15986E-01 ppm1 1.886 ppm2 1.756 CV 1
ASSI { 2415}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HB2 ))
2.600 0.800 0.800 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.52413E-02 ppm1 3.237 ppm2 1.889 CV 1
OR { 2415}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HB2 ))
ASSI { 2416}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 46 and name HB2 ))
3.000 1.100 1.100 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.44913E-02 ppm1 3.231 ppm2 1.845 CV 1
OR { 2416}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 46 and name HB2 ))
ASSI { 2417}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HB3 ))
3.200 1.300 1.300 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.54841E-02 ppm1 3.238 ppm2 1.761 CV 1
OR { 2417}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HB3 ))
ASSI { 2418}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HG3 ))
2.000 0.500 0.500 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.12219E-01 ppm1 3.238 ppm2 1.661 CV 1
OR { 2418}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HG3 ))
ASSI { 2419}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HG2 ))
2.300 0.700 0.700 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.93617E-02 ppm1 3.239 ppm2 1.586 CV 1
OR { 2419}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HG2 ))
ASSI { 2423}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name HA ))
2.400 0.700 0.700 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 3.238 ppm2 4.519 CV 1
OR { 2423}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name HA ))
ASSI { 2427}
(( segid "B " and resid 49 and name HB3 ))
(( segid "B " and resid 49 and name H ))
3.300 1.400 1.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 1.754 ppm2 8.213 CV 1
ASSI { 2430}
(( segid "B " and resid 49 and name HG3 ))
(( segid "B " and resid 50 and name H ))
3.000 1.100 1.100 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.53020E-03 ppm1 1.652 ppm2 7.995 CV 1
ASSI { 2432}
(( segid "B " and resid 49 and name HG2 ))
(( segid "B " and resid 49 and name H ))
4.800 2.900 1.200 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.91602E-03 ppm1 1.582 ppm2 8.214 CV 1
ASSI { 2433}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 50 and name H ))
3.400 1.400 1.400 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.96914E-03 ppm1 3.239 ppm2 7.992 CV 1
OR { 2433}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 50 and name H ))
ASSI { 2434}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 49 and name H ))
4.500 2.600 1.500 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.91602E-03 ppm1 3.240 ppm2 8.224 CV 1
OR { 2434}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 49 and name H ))
ASSI { 2436}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name H ))
2.900 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.25404E-02 ppm1 4.262 ppm2 8.253 CV 1
ASSI { 2439}
(( segid "A " and resid 48 and name HB3 ))
(( segid "A " and resid 49 and name H ))
3.000 1.100 1.100 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 1.857 ppm2 8.254 CV 1
ASSI { 2440}
(( segid "A " and resid 48 and name HB2 ))
(( segid "A " and resid 49 and name H ))
3.400 1.500 1.500 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 1.964 ppm2 8.256 CV 1
ASSI { 2441}
(( segid "A " and resid 48 and name HG3 ))
(( segid "A " and resid 49 and name H ))
3.400 1.400 1.400 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.22976E-02 ppm1 1.559 ppm2 8.253 CV 1
OR { 2441}
(( segid "A " and resid 48 and name HG2 ))
(( segid "A " and resid 49 and name H ))
ASSI { 2443}
(( segid "A " and resid 48 and name HD3 ))
(( segid "A " and resid 49 and name H ))
3.700 1.700 1.700 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.11267E-02 ppm1 1.779 ppm2 8.257 CV 1
ASSI { 2446}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HG3 ))
3.000 1.100 1.100 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.35311E-02 ppm1 4.262 ppm2 1.537 CV 1
OR { 2446}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HG2 ))
ASSI { 2447}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HB2 ))
2.400 0.700 0.700 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.72266E-02 ppm1 4.260 ppm2 1.961 CV 1
ASSI { 2448}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HB3 ))
2.600 0.800 0.800 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.54602E-02 ppm1 4.260 ppm2 1.855 CV 1
ASSI { 2449}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HD3 ))
2.600 0.800 0.800 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.26184E-02 ppm1 4.260 ppm2 1.761 CV 1
ASSI { 2450}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HB2 ))
2.500 0.800 0.800 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.72311E-02 ppm1 4.289 ppm2 1.936 CV 1
ASSI { 2451}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HB3 ))
2.600 0.800 0.800 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.60172E-02 ppm1 4.289 ppm2 1.814 CV 1
ASSI { 2453}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HB3 ))
2.900 1.100 1.100 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 4.295 ppm2 1.621 CV 1
ASSI { 2454}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HG3 ))
2.700 0.900 0.900 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.46689E-02 ppm1 4.290 ppm2 1.514 CV 1
ASSI { 2457}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HD21))
2.500 0.800 0.800 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 4.290 ppm2 1.092 CV 1
OR { 2457}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HD22))
OR { 2457}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HD23))
OR { 2457}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HD13))
ASSI { 2459}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HB2 ))
2.800 1.000 1.000 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 4.291 ppm2 2.126 CV 1
ASSI { 2462}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HD2 ))
3.600 1.600 1.600 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.25556E-02 ppm1 4.290 ppm2 1.743 CV 1
OR { 2462}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HD3 ))
ASSI { 2465}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name H ))
3.000 1.100 1.100 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 4.290 ppm2 8.286 CV 1
ASSI { 2468}
(( segid "B " and resid 48 and name HB3 ))
(( segid "B " and resid 49 and name H ))
3.300 1.400 1.400 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.85035E-03 ppm1 1.807 ppm2 8.221 CV 1
ASSI { 2470}
(( segid "B " and resid 48 and name HB2 ))
(( segid "B " and resid 49 and name H ))
3.500 1.600 1.600 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.10933E-02 ppm1 1.939 ppm2 8.218 CV 1
ASSI { 2471}
(( segid "A " and resid 47 and name HA2 ))
(( segid "A " and resid 48 and name H ))
2.800 1.000 1.000 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.41207E-02 ppm1 4.235 ppm2 8.571 CV 1
ASSI { 2472}
(( segid "A " and resid 47 and name HA3 ))
(( segid "A " and resid 48 and name H ))
2.800 1.000 1.000 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.42508E-02 ppm1 4.006 ppm2 8.570 CV 1
ASSI { 2473}
(( segid "A " and resid 47 and name HA2 ))
(( segid "A " and resid 47 and name HA3 ))
1.900 0.500 0.500 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.82737E-02 ppm1 4.233 ppm2 4.010 CV 1
ASSI { 2475}
(( segid "B " and resid 47 and name HA2 ))
(( segid "B " and resid 47 and name HA3 ))
1.800 0.400 0.400 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.83776E-02 ppm1 4.167 ppm2 3.745 CV 1
ASSI { 2477}
(( segid "B " and resid 47 and name HA2 ))
( segid "C " and resid 1929 and name HG1%)
2.600 2.600 3.400 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 4.159 ppm2 0.883 CV 1
ASSI { 2478}
(( segid "B " and resid 47 and name HA2 ))
( segid "C " and resid 1929 and name HG2%)
4.400 2.400 1.600 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 4.163 ppm2 0.782 CV 1
ASSI { 2479}
(( segid "B " and resid 47 and name HA3 ))
( segid "C " and resid 1929 and name HG1%)
2.500 2.500 3.500 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.13218E-02 ppm1 3.742 ppm2 0.881 CV 1
ASSI { 2480}
(( segid "B " and resid 47 and name HA3 ))
( segid "C " and resid 1929 and name HG2%)
2.800 1.000 1.000 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.13513E-02 ppm1 3.750 ppm2 0.783 CV 1
ASSI { 2481}
(( segid "B " and resid 47 and name HA3 ))
(( segid "B " and resid 47 and name H ))
2.700 0.900 0.900 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.41226E-02 ppm1 3.747 ppm2 8.255 CV 1
ASSI { 2482}
(( segid "B " and resid 47 and name HA2 ))
(( segid "B " and resid 47 and name H ))
2.400 0.700 0.700 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.37804E-02 ppm1 4.167 ppm2 8.253 CV 1
ASSI { 2483}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 47 and name H ))
2.700 0.900 0.900 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.42637E-02 ppm1 4.466 ppm2 8.567 CV 1
ASSI { 2490}
(( segid "A " and resid 46 and name HG ))
(( segid "A " and resid 47 and name H ))
4.500 2.500 1.500 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.63707E-03 ppm1 1.935 ppm2 8.569 CV 1
ASSI { 2492}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 47 and name H ))
3.800 1.800 1.800 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.30541E-02 ppm1 1.052 ppm2 8.564 CV 1
OR { 2492}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 47 and name H ))
OR { 2492}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 47 and name H ))
ASSI { 2493}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 47 and name H ))
3.400 1.400 1.400 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.48142E-02 ppm1 0.978 ppm2 8.566 CV 1
OR { 2493}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 47 and name H ))
OR { 2493}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 47 and name H ))
ASSI { 2494}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 39 and name H ))
3.200 1.300 1.300 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.32406E-02 ppm1 0.977 ppm2 7.945 CV 1
OR { 2494}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 39 and name H ))
OR { 2494}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 39 and name H ))
ASSI { 2495}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 39 and name H ))
2.900 1.100 1.100 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 1.053 ppm2 7.947 CV 1
OR { 2495}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 39 and name H ))
OR { 2495}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 39 and name H ))
ASSI { 2496}
(( segid "A " and resid 46 and name HD11))
( segid "A " and resid 55 and name HE% )
2.500 0.800 0.800 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.78381E-02 ppm1 1.054 ppm2 7.220 CV 1
OR { 2496}
(( segid "A " and resid 46 and name HD13))
( segid "A " and resid 55 and name HE% )
OR { 2496}
(( segid "A " and resid 46 and name HD12))
( segid "A " and resid 55 and name HE% )
OR { 2496}
(( segid "A " and resid 46 and name HD11))
( segid "A " and resid 55 and name HD% )
ASSI { 2497}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 46 and name H ))
3.400 1.500 1.500 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.41378E-02 ppm1 1.056 ppm2 7.289 CV 1
OR { 2497}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 46 and name H ))
OR { 2497}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 46 and name H ))
ASSI { 2498}
(( segid "A " and resid 46 and name HD21))
( segid "A " and resid 55 and name HE% )
2.200 0.600 0.600 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.10170E-01 ppm1 0.977 ppm2 7.218 CV 1
OR { 2498}
(( segid "A " and resid 46 and name HD22))
( segid "A " and resid 55 and name HE% )
OR { 2498}
(( segid "A " and resid 46 and name HD23))
( segid "A " and resid 55 and name HE% )
OR { 2498}
(( segid "A " and resid 46 and name HD21))
( segid "A " and resid 55 and name HD% )
ASSI { 2499}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 46 and name H ))
2.900 1.100 1.100 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.57247E-02 ppm1 0.975 ppm2 7.294 CV 1
OR { 2499}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 46 and name H ))
OR { 2499}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 46 and name H ))
ASSI { 2500}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1897 and name HE22))
4.000 2.000 2.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.14033E-02 ppm1 0.977 ppm2 6.486 CV 1
OR { 2500}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1897 and name HE22))
OR { 2500}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1897 and name HE22))
ASSI { 2501}
(( segid "A " and resid 46 and name HD13))
(( segid "C " and resid 1897 and name HE22))
4.700 2.700 1.300 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.67152E-03 ppm1 1.052 ppm2 6.484 CV 1
OR { 2501}
(( segid "A " and resid 46 and name HD11))
(( segid "C " and resid 1897 and name HE22))
OR { 2501}
(( segid "A " and resid 46 and name HD12))
(( segid "C " and resid 1897 and name HE22))
ASSI { 2502}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1897 and name HE21))
3.800 1.800 1.800 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.12178E-02 ppm1 0.978 ppm2 7.119 CV 1
OR { 2502}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1897 and name HE21))
OR { 2502}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1897 and name HE21))
ASSI { 2503}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HA ))
2.600 0.800 0.800 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.29024E-02 ppm1 1.823 ppm2 4.467 CV 1
OR { 2503}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name HA ))
ASSI { 2505}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 46 and name HA ))
3.100 1.200 1.200 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.58396E-02 ppm1 1.052 ppm2 4.465 CV 1
OR { 2505}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 46 and name HA ))
OR { 2505}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 46 and name HA ))
ASSI { 2506}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 46 and name HA ))
2.000 0.500 0.500 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.14746E-01 ppm1 0.978 ppm2 4.466 CV 1
OR { 2506}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 46 and name HA ))
OR { 2506}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 46 and name HA ))
ASSI { 2507}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 43 and name HA ))
3.700 1.700 1.700 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.24364E-02 ppm1 0.977 ppm2 4.348 CV 1
OR { 2507}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 43 and name HA ))
OR { 2507}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 43 and name HA ))
ASSI { 2508}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 43 and name HA ))
2.600 0.800 0.800 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.65289E-02 ppm1 1.054 ppm2 4.349 CV 1
OR { 2508}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 43 and name HA ))
OR { 2508}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 43 and name HA ))
ASSI { 2509}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 39 and name HB ))
3.500 1.500 1.500 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.30281E-02 ppm1 1.053 ppm2 4.247 CV 1
OR { 2509}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 39 and name HB ))
OR { 2509}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 39 and name HB ))
ASSI { 2511}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 38 and name HA ))
3.800 1.800 1.800 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.13725E-02 ppm1 0.978 ppm2 3.811 CV 1
OR { 2511}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 38 and name HA ))
OR { 2511}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 38 and name HA ))
ASSI { 2513}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 39 and name HA ))
2.100 0.500 0.500 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.12171E-01 ppm1 1.052 ppm2 3.908 CV 1
OR { 2513}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 39 and name HA ))
OR { 2513}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 39 and name HA ))
ASSI { 2514}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 38 and name HA ))
3.500 1.500 1.500 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 1.055 ppm2 3.811 CV 1
OR { 2514}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 38 and name HA ))
OR { 2514}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 38 and name HA ))
ASSI { 2515}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 46 and name HG ))
1.900 0.500 0.500 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.12485E-01 ppm1 1.053 ppm2 1.936 CV 1
OR { 2515}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 46 and name HG ))
OR { 2515}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 46 and name HG ))
ASSI { 2516}
(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 46 and name HB2 ))
2.000 0.500 0.500 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.21544E-01 ppm1 1.049 ppm2 1.820 CV 1
OR { 2516}
(( segid "A " and resid 46 and name HD12))
(( segid "A " and resid 46 and name HB2 ))
OR { 2516}
(( segid "A " and resid 46 and name HD11))
(( segid "A " and resid 46 and name HB2 ))
ASSI { 2517}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 46 and name HB3 ))
2.300 0.600 0.600 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.13858E-01 ppm1 0.977 ppm2 1.820 CV 1
OR { 2517}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 46 and name HB3 ))
OR { 2517}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 46 and name HB3 ))
OR { 2517}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 46 and name HB2 ))
OR { 2517}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 46 and name HB2 ))
ASSI { 2518}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 46 and name HG ))
1.800 0.400 0.400 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.16719E-01 ppm1 0.977 ppm2 1.938 CV 1
OR { 2518}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 46 and name HG ))
OR { 2518}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 46 and name HG ))
ASSI { 2519}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1897 and name HG2 ))
3.600 1.700 1.700 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 0.976 ppm2 2.219 CV 1
OR { 2519}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1897 and name HG2 ))
OR { 2519}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 2521}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 38 and name HB3 ))
2.200 0.600 0.600 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.57137E-02 ppm1 0.976 ppm2 1.667 CV 1
OR { 2521}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 38 and name HB3 ))
OR { 2521}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 38 and name HB3 ))
ASSI { 2522}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 39 and name HG21))
3.000 1.200 1.200 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.72160E-02 ppm1 0.976 ppm2 1.353 CV 1
OR { 2522}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 39 and name HG21))
OR { 2522}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 39 and name HG23))
OR { 2522}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 39 and name HG22))
OR { 2522}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 39 and name HG23))
OR { 2522}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 39 and name HG21))
OR { 2522}
(( segid "A " and resid 46 and name HD23))
(( segid "A " and resid 39 and name HG23))
OR { 2522}
(( segid "A " and resid 46 and name HD22))
(( segid "A " and resid 39 and name HG22))
ASSI { 2524}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name HG ))
2.200 0.600 0.600 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.46321E-02 ppm1 1.819 ppm2 1.941 CV 1
OR { 2524}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HG ))
ASSI { 2526}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HD13))
2.500 0.800 0.800 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.45304E-02 ppm1 1.820 ppm2 1.053 CV 1
OR { 2526}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HD11))
OR { 2526}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name HD13))
OR { 2526}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HD12))
OR { 2526}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name HD11))
ASSI { 2530}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HG ))
3.200 1.300 1.300 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 4.464 ppm2 1.941 CV 1
ASSI { 2537}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD13))
3.100 1.200 1.200 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 1.836 ppm2 1.065 CV 1
OR { 2537}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD12))
OR { 2537}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD11))
ASSI { 2538}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD22))
3.600 1.600 1.600 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.14718E-02 ppm1 1.842 ppm2 0.958 CV 1
OR { 2538}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD21))
OR { 2538}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HD23))
ASSI { 2539}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HB3 ))
1.800 0.400 0.400 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.66610E-02 ppm1 1.838 ppm2 1.715 CV 1
ASSI { 2540}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HG ))
2.400 0.700 0.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.22695E-02 ppm1 1.838 ppm2 1.986 CV 1
ASSI { 2544}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HA ))
3.200 1.300 1.300 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 1.842 ppm2 4.750 CV 1
ASSI { 2545}
(( segid "B " and resid 46 and name HB3 ))
(( segid "B " and resid 46 and name HA ))
2.500 0.800 0.800 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.12693E-02 ppm1 1.713 ppm2 4.745 CV 1
ASSI { 2549}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 46 and name HB3 ))
2.100 0.600 0.600 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.11529E-01 ppm1 1.067 ppm2 1.713 CV 1
OR { 2549}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 46 and name HB3 ))
OR { 2549}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 46 and name HB3 ))
ASSI { 2550}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 46 and name HG ))
2.000 0.500 0.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.11345E-01 ppm1 1.067 ppm2 1.987 CV 1
OR { 2550}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 46 and name HG ))
OR { 2550}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 46 and name HG ))
ASSI { 2551}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 39 and name HA ))
2.400 0.700 0.700 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.81155E-02 ppm1 1.067 ppm2 3.978 CV 1
OR { 2551}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 39 and name HA ))
OR { 2551}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 39 and name HA ))
ASSI { 2552}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 43 and name HA ))
2.800 1.000 1.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.51784E-02 ppm1 1.067 ppm2 4.385 CV 1
OR { 2552}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 43 and name HA ))
OR { 2552}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 43 and name HA ))
ASSI { 2553}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 46 and name HA ))
3.500 1.500 1.500 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 1.067 ppm2 4.747 CV 1
OR { 2553}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 46 and name HA ))
OR { 2553}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 46 and name HA ))
ASSI { 2554}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 46 and name HA ))
1.900 0.500 0.500 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.78878E-02 ppm1 0.960 ppm2 4.747 CV 1
OR { 2554}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 46 and name HA ))
OR { 2554}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 46 and name HA ))
ASSI { 2555}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 43 and name HA ))
3.500 1.500 1.500 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.16567E-02 ppm1 0.960 ppm2 4.379 CV 1
OR { 2555}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 43 and name HA ))
OR { 2555}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 43 and name HA ))
ASSI { 2556}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 39 and name HA ))
3.100 1.200 1.200 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.34204E-02 ppm1 0.960 ppm2 3.979 CV 1
OR { 2556}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 39 and name HA ))
OR { 2556}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 39 and name HA ))
ASSI { 2557}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 38 and name HA ))
3.500 1.500 1.500 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 0.960 ppm2 3.847 CV 1
OR { 2557}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 38 and name HA ))
OR { 2557}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 38 and name HA ))
ASSI { 2559}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 46 and name HG ))
1.700 0.400 0.500 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.18500E-01 ppm1 0.961 ppm2 1.989 CV 1
OR { 2559}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 46 and name HG ))
OR { 2559}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 46 and name HG ))
ASSI { 2560}
(( segid "B " and resid 46 and name HD21))
(( segid "B " and resid 46 and name HB3 ))
2.200 0.600 0.600 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.11527E-01 ppm1 0.960 ppm2 1.717 CV 1
OR { 2560}
(( segid "B " and resid 46 and name HD22))
(( segid "B " and resid 46 and name HB3 ))
OR { 2560}
(( segid "B " and resid 46 and name HD23))
(( segid "B " and resid 46 and name HB3 ))
ASSI { 2567}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 38 and name H ))
4.100 2.100 1.900 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 1.064 ppm2 8.528 CV 1
OR { 2567}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 38 and name H ))
OR { 2567}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 38 and name H ))
ASSI { 2573}
(( segid "A " and resid 45 and name HB2 ))
( segid "C " and resid 1900 and name HD2%)
3.900 1.900 1.900 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.81284E-03 ppm1 3.391 ppm2 1.084 CV 1
ASSI { 2577}
(( segid "A " and resid 45 and name HA ))
( segid "C " and resid 1900 and name HD2%)
4.300 2.300 1.700 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.57550E-03 ppm1 4.471 ppm2 1.079 CV 1
ASSI { 2578}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 45 and name HB3 ))
2.900 1.000 1.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.15286E-02 ppm1 4.470 ppm2 2.865 CV 1
ASSI { 2579}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 45 and name HB2 ))
3.200 1.300 1.300 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 4.475 ppm2 3.388 CV 1
ASSI { 2580}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 45 and name HB3 ))
2.200 0.600 0.600 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.18017E-02 ppm1 3.379 ppm2 2.858 CV 1
ASSI { 2587}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 45 and name H ))
3.300 1.400 1.400 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.74023E-03 ppm1 2.870 ppm2 7.952 CV 1
OR { 2587}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 45 and name H ))
ASSI { 2588}
(( segid "A " and resid 45 and name HA ))
( segid "A " and resid 45 and name HD% )
3.000 1.100 1.100 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 4.475 ppm2 7.192 CV 1
ASSI { 2590}
(( segid "B " and resid 45 and name HA ))
(( segid "B " and resid 45 and name H ))
2.800 0.900 0.900 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.16712E-02 ppm1 4.835 ppm2 8.046 CV 1
ASSI { 2591}
(( segid "B " and resid 45 and name HA ))
(( segid "B " and resid 46 and name H ))
2.600 0.800 0.800 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 4.835 ppm2 7.319 CV 1
ASSI { 2593}
(( segid "B " and resid 45 and name HB2 ))
(( segid "B " and resid 46 and name H ))
3.000 1.200 1.200 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.16968E-02 ppm1 3.415 ppm2 7.321 CV 1
ASSI { 2595}
(( segid "B " and resid 45 and name HB3 ))
(( segid "B " and resid 46 and name H ))
3.500 1.500 1.500 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 3.113 ppm2 7.314 CV 1
ASSI { 2597}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 45 and name H ))
3.300 1.400 1.400 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.14176E-02 ppm1 4.235 ppm2 7.961 CV 1
ASSI { 2598}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 46 and name H ))
3.800 1.800 1.800 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.78727E-03 ppm1 4.229 ppm2 7.289 CV 1
ASSI { 2602}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HB2 ))
3.100 1.200 1.200 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.22695E-02 ppm1 4.232 ppm2 3.601 CV 1
ASSI { 2603}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HB3 ))
3.100 1.200 1.200 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 4.232 ppm2 3.474 CV 1
ASSI { 2606}
(( segid "A " and resid 44 and name HB2 ))
(( segid "A " and resid 44 and name HB3 ))
2.500 0.800 0.800 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 3.605 ppm2 3.474 CV 1
ASSI { 2608}
(( segid "B " and resid 44 and name HA ))
(( segid "B " and resid 44 and name HB3 ))
2.800 1.000 1.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.29609E-02 ppm1 4.287 ppm2 3.675 CV 1
OR { 2608}
(( segid "B " and resid 44 and name HA ))
(( segid "B " and resid 44 and name HB2 ))
ASSI { 2609}
(( segid "B " and resid 44 and name HB2 ))
(( segid "B " and resid 44 and name HA ))
3.300 1.300 1.300 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 3.674 ppm2 4.293 CV 1
ASSI { 2610}
(( segid "B " and resid 44 and name HA ))
(( segid "B " and resid 46 and name H ))
3.400 1.500 1.500 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.72550E-03 ppm1 4.288 ppm2 7.331 CV 1
ASSI { 2616}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 46 and name HB2 ))
2.900 1.100 1.100 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 4.348 ppm2 1.822 CV 1
OR { 2616}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 2617}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 46 and name HG ))
2.900 1.000 1.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.19420E-02 ppm1 4.348 ppm2 1.949 CV 1
ASSI { 2618}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HB3 ))
2.500 0.800 0.800 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.34401E-02 ppm1 4.351 ppm2 2.027 CV 1
ASSI { 2619}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HB2 ))
3.100 1.200 1.200 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.29436E-02 ppm1 4.347 ppm2 2.414 CV 1
ASSI { 2620}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HD3 ))
3.900 1.900 1.900 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.79853E-03 ppm1 4.347 ppm2 3.211 CV 1
ASSI { 2621}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HD2 ))
4.100 2.100 1.900 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.71424E-03 ppm1 4.346 ppm2 3.741 CV 1
ASSI { 2622}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 39 and name HA ))
3.400 1.500 1.500 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.68757E-03 ppm1 4.351 ppm2 3.914 CV 1
ASSI { 2627}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name HD2 ))
4.400 2.500 1.600 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.86811E-03 ppm1 2.032 ppm2 3.742 CV 1
ASSI { 2629}
(( segid "A " and resid 43 and name HD2 ))
(( segid "A " and resid 43 and name HB2 ))
3.700 1.700 1.700 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.12693E-02 ppm1 3.745 ppm2 2.431 CV 1
ASSI { 2631}
(( segid "B " and resid 43 and name HD2 ))
(( segid "B " and resid 42 and name H ))
4.300 2.300 1.700 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.72960E-03 ppm1 3.741 ppm2 7.606 CV 1
ASSI { 2635}
(( segid "B " and resid 43 and name HA ))
(( segid "B " and resid 43 and name HB2 ))
3.100 1.200 1.200 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 4.386 ppm2 2.447 CV 1
ASSI { 2636}
(( segid "B " and resid 43 and name HA ))
(( segid "B " and resid 46 and name HB2 ))
4.000 2.000 2.000 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.95093E-03 ppm1 4.386 ppm2 1.843 CV 1
ASSI { 2637}
(( segid "B " and resid 43 and name HA ))
(( segid "B " and resid 46 and name H ))
3.700 1.700 1.700 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.11354E-02 ppm1 4.388 ppm2 7.326 CV 1
ASSI { 2644}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HB2 ))
2.100 0.600 0.600 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.86617E-03 ppm1 1.930 ppm2 2.121 CV 1
ASSI { 2646}
(( segid "B " and resid 42 and name HG ))
(( segid "B " and resid 42 and name HB3 ))
2.900 1.000 1.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.79918E-03 ppm1 1.558 ppm2 1.925 CV 1
ASSI { 2647}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 43 and name HD2 ))
3.000 1.100 1.100 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 5.509 ppm2 3.739 CV 1
ASSI { 2648}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name H ))
3.300 1.300 1.300 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.77968E-03 ppm1 5.486 ppm2 7.704 CV 1
ASSI { 2650}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HD12))
3.400 1.500 1.500 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.40600E-02 ppm1 0.869 ppm2 -0.108 CV 1
OR { 2650}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HD13))
OR { 2650}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HD11))
OR { 2650}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HD12))
OR { 2650}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HD11))
OR { 2650}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HD13))
OR { 2650}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 82 and name HD13))
OR { 2650}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 82 and name HD12))
ASSI { 2651}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HG22))
4.400 2.400 1.600 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.15243E-02 ppm1 0.868 ppm2 0.054 CV 1
OR { 2651}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HG22))
OR { 2651}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 82 and name HG22))
OR { 2651}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HG21))
OR { 2651}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HG21))
OR { 2651}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 82 and name HG23))
OR { 2651}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 82 and name HG23))
ASSI { 2652}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 79 and name HD21))
3.000 1.100 1.100 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.40338E-02 ppm1 0.871 ppm2 0.440 CV 1
OR { 2652}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 79 and name HD23))
OR { 2652}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 79 and name HD22))
OR { 2652}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 79 and name HD21))
OR { 2652}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 79 and name HD21))
OR { 2652}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 79 and name HD23))
OR { 2652}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 79 and name HD22))
ASSI { 2654}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 79 and name HD21))
2.600 0.800 0.800 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.35744E-02 ppm1 0.706 ppm2 0.439 CV 1
OR { 2654}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 79 and name HD23))
OR { 2654}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 79 and name HD22))
OR { 2654}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 79 and name HD23))
OR { 2654}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 79 and name HD21))
OR { 2654}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 79 and name HD23))
OR { 2654}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 79 and name HD22))
OR { 2654}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 79 and name HD21))
ASSI { 2657}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 5 and name HD12))
1.900 0.500 0.500 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.16474E-01 ppm1 0.871 ppm2 1.079 CV 1
OR { 2657}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 5 and name HD11))
OR { 2657}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 5 and name HD13))
OR { 2657}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 5 and name HD12))
OR { 2657}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 5 and name HD11))
OR { 2657}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 5 and name HD13))
OR { 2657}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 5 and name HD12))
ASSI { 2658}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 37 and name HB3 ))
2.800 1.000 1.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.33642E-02 ppm1 0.872 ppm2 1.139 CV 1
OR { 2658}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 37 and name HB3 ))
OR { 2658}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 2659}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 37 and name HG ))
2.100 2.100 3.900 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.98776E-02 ppm1 0.874 ppm2 1.298 CV 1
OR { 2659}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 37 and name HG ))
OR { 2659}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 37 and name HG ))
ASSI { 2661}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 42 and name HG ))
1.800 0.400 0.400 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.12867E-01 ppm1 0.871 ppm2 1.542 CV 1
OR { 2661}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 42 and name HG ))
OR { 2661}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 42 and name HG ))
ASSI { 2662}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 5 and name HG ))
2.300 0.700 0.700 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.50873E-02 ppm1 0.870 ppm2 1.838 CV 1
OR { 2662}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 5 and name HG ))
OR { 2662}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 5 and name HG ))
ASSI { 2663}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 42 and name HB3 ))
2.900 1.000 1.000 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.76496E-02 ppm1 0.872 ppm2 1.910 CV 1
OR { 2663}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 42 and name HB3 ))
OR { 2663}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 2664}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 42 and name HB2 ))
2.100 0.500 0.500 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.82801E-02 ppm1 0.870 ppm2 2.122 CV 1
OR { 2664}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 42 and name HB2 ))
OR { 2664}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 42 and name HB2 ))
ASSI { 2666}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 41 and name HB2 ))
2.100 0.600 0.600 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.74500E-02 ppm1 0.871 ppm2 2.416 CV 1
OR { 2666}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 41 and name HB2 ))
OR { 2666}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 2668}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 43 and name HD3 ))
3.300 1.300 1.300 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 0.869 ppm2 3.233 CV 1
OR { 2668}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 43 and name HD3 ))
OR { 2668}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 43 and name HD3 ))
ASSI { 2670}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HG ))
2.200 0.600 0.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.59022E-02 ppm1 0.706 ppm2 1.548 CV 1
OR { 2670}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HG ))
OR { 2670}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HG ))
ASSI { 2671}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HB3 ))
2.300 0.700 0.700 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.40403E-02 ppm1 0.705 ppm2 1.925 CV 1
OR { 2671}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HB3 ))
OR { 2671}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 2672}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HB2 ))
2.700 0.900 0.900 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.34553E-02 ppm1 0.707 ppm2 2.122 CV 1
OR { 2672}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HB2 ))
OR { 2672}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HB2 ))
ASSI { 2677}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HD13))
2.100 0.600 0.600 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.12349E-01 ppm1 0.706 ppm2 0.869 CV 1
OR { 2677}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HD13))
OR { 2677}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HD12))
OR { 2677}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HD13))
OR { 2677}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HD12))
OR { 2677}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HD12))
OR { 2677}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HD11))
OR { 2677}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HD11))
ASSI { 2678}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 38 and name HD21))
3.300 1.400 1.400 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 0.705 ppm2 0.919 CV 1
OR { 2678}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 38 and name HD21))
OR { 2678}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 38 and name HD23))
OR { 2678}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 38 and name HD23))
OR { 2678}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 38 and name HD21))
OR { 2678}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 38 and name HD22))
OR { 2678}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 38 and name HD22))
OR { 2678}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 38 and name HD23))
OR { 2678}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 38 and name HD22))
ASSI { 2679}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 38 and name HA ))
3.500 1.500 1.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.21138E-02 ppm1 0.706 ppm2 3.808 CV 1
OR { 2679}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 38 and name HA ))
OR { 2679}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 38 and name HA ))
ASSI { 2680}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 38 and name HA ))
1.700 0.400 0.500 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 0.874 ppm2 3.808 CV 1
OR { 2680}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 38 and name HA ))
OR { 2680}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 38 and name HA ))
ASSI { 2681}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 34 and name HA ))
3.800 1.800 1.800 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 0.874 ppm2 3.963 CV 1
OR { 2681}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 34 and name HA ))
OR { 2681}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 34 and name HA ))
ASSI { 2683}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 42 and name HA ))
2.900 1.000 1.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.62209E-02 ppm1 0.868 ppm2 5.487 CV 1
OR { 2683}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 42 and name HA ))
OR { 2683}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 42 and name HA ))
ASSI { 2684}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name HA ))
3.900 1.900 1.900 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.13946E-02 ppm1 0.708 ppm2 5.488 CV 1
OR { 2684}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name HA ))
OR { 2684}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name HA ))
ASSI { 2685}
(( segid "A " and resid 42 and name HD13))
( segid "A " and resid 75 and name HE% )
3.000 3.000 3.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.52672E-02 ppm1 0.874 ppm2 6.710 CV 1
OR { 2685}
(( segid "A " and resid 42 and name HD12))
( segid "A " and resid 75 and name HE% )
OR { 2685}
(( segid "A " and resid 42 and name HD11))
( segid "A " and resid 75 and name HE% )
ASSI { 2686}
(( segid "A " and resid 42 and name HD13))
( segid "A " and resid 78 and name HE% )
2.800 1.000 1.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.48423E-02 ppm1 0.872 ppm2 7.021 CV 1
OR { 2686}
(( segid "A " and resid 42 and name HD12))
( segid "A " and resid 78 and name HE% )
OR { 2686}
(( segid "A " and resid 42 and name HD11))
( segid "A " and resid 78 and name HE% )
ASSI { 2688}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 78 and name HZ ))
3.500 1.600 1.600 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 0.872 ppm2 6.841 CV 1
OR { 2688}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 78 and name HZ ))
OR { 2688}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 78 and name HZ ))
ASSI { 2690}
(( segid "A " and resid 42 and name HD11))
( segid "A " and resid 45 and name HD% )
3.900 1.900 1.900 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.45585E-02 ppm1 0.869 ppm2 7.199 CV 1
OR { 2690}
(( segid "A " and resid 42 and name HD12))
( segid "A " and resid 45 and name HD% )
OR { 2690}
(( segid "A " and resid 42 and name HD13))
( segid "A " and resid 45 and name HD% )
ASSI { 2691}
(( segid "A " and resid 42 and name HD13))
( segid "A " and resid 19 and name HD% )
2.500 2.500 3.500 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.14011E-02 ppm1 0.871 ppm2 7.404 CV 1
OR { 2691}
(( segid "A " and resid 42 and name HD12))
( segid "A " and resid 19 and name HD% )
OR { 2691}
(( segid "A " and resid 42 and name HD11))
( segid "A " and resid 19 and name HD% )
ASSI { 2692}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 42 and name H ))
2.600 0.800 0.800 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 0.871 ppm2 7.702 CV 1
OR { 2692}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 42 and name H ))
OR { 2692}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 42 and name H ))
ASSI { 2696}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 5 and name H ))
4.700 2.800 1.300 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.74391E-03 ppm1 0.871 ppm2 10.864 CV 1
OR { 2696}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 5 and name H ))
OR { 2696}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 5 and name H ))
ASSI { 2697}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 42 and name H ))
4.400 2.400 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 0.707 ppm2 7.700 CV 1
OR { 2697}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 42 and name H ))
OR { 2697}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 42 and name H ))
ASSI { 2699}
(( segid "A " and resid 42 and name HD21))
( segid "A " and resid 45 and name HD% )
3.900 1.900 1.900 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.10604E-02 ppm1 0.708 ppm2 7.201 CV 1
OR { 2699}
(( segid "A " and resid 42 and name HD22))
( segid "A " and resid 45 and name HD% )
OR { 2699}
(( segid "A " and resid 42 and name HD23))
( segid "A " and resid 45 and name HD% )
ASSI { 2700}
(( segid "A " and resid 42 and name HD23))
( segid "A " and resid 78 and name HE% )
2.800 1.000 1.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.35634E-02 ppm1 0.707 ppm2 7.031 CV 1
OR { 2700}
(( segid "A " and resid 42 and name HD22))
( segid "A " and resid 78 and name HE% )
OR { 2700}
(( segid "A " and resid 42 and name HD21))
( segid "A " and resid 78 and name HE% )
ASSI { 2705}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 42 and name HG ))
3.000 1.100 1.100 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.71769E-03 ppm1 5.517 ppm2 1.538 CV 1
ASSI { 2706}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 42 and name HB3 ))
2.700 0.900 0.900 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.90324E-03 ppm1 5.514 ppm2 1.926 CV 1
ASSI { 2707}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 41 and name HB2 ))
4.100 2.100 1.900 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.86010E-03 ppm1 5.510 ppm2 2.429 CV 1
ASSI { 2710}
(( segid "B " and resid 42 and name HA ))
(( segid "A " and resid 6 and name H ))
4.300 2.300 1.700 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.43396E-03 ppm1 5.516 ppm2 7.117 CV 1
ASSI { 2711}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 43 and name HD3 ))
2.900 1.100 1.100 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.14961E-02 ppm1 5.513 ppm2 3.215 CV 1
ASSI { 2713}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HD13))
3.900 1.900 1.900 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.17907E-02 ppm1 0.778 ppm2 -0.166 CV 1
OR { 2713}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HD11))
OR { 2713}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 82 and name HD13))
OR { 2713}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 82 and name HD11))
OR { 2713}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HD12))
OR { 2713}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 82 and name HD11))
OR { 2713}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 82 and name HD13))
ASSI { 2714}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 82 and name HG22))
4.300 2.400 1.700 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 0.781 ppm2 0.252 CV 1
OR { 2714}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HG22))
OR { 2714}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HG21))
OR { 2714}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 82 and name HG21))
OR { 2714}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 82 and name HG22))
OR { 2714}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HG23))
OR { 2714}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 82 and name HG21))
ASSI { 2717}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 82 and name HG22))
3.500 1.500 1.500 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 0.684 ppm2 0.248 CV 1
OR { 2717}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 82 and name HG21))
OR { 2717}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 82 and name HG22))
OR { 2717}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 82 and name HG22))
OR { 2717}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 82 and name HG21))
OR { 2717}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 82 and name HG23))
OR { 2717}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 82 and name HG21))
OR { 2717}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 82 and name HG23))
ASSI { 2719}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HD23))
2.000 0.500 0.500 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.16047E-01 ppm1 0.778 ppm2 0.682 CV 1
OR { 2719}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HD22))
OR { 2719}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HD23))
OR { 2719}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HD21))
OR { 2719}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HD21))
OR { 2719}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HD22))
OR { 2719}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HD23))
OR { 2719}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HD22))
ASSI { 2723}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HG ))
2.100 0.500 0.500 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.54451E-02 ppm1 0.778 ppm2 1.540 CV 1
OR { 2723}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HG ))
OR { 2723}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HG ))
ASSI { 2724}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HB3 ))
2.600 0.800 0.800 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.18563E-02 ppm1 0.778 ppm2 1.629 CV 1
OR { 2724}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HB3 ))
OR { 2724}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HB3 ))
ASSI { 2725}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HB2 ))
3.300 1.400 1.400 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.25231E-02 ppm1 0.779 ppm2 2.164 CV 1
OR { 2725}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HB2 ))
OR { 2725}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HB2 ))
ASSI { 2726}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HB2 ))
2.300 0.600 0.600 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.36135E-02 ppm1 0.778 ppm2 2.066 CV 1
OR { 2726}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HB2 ))
OR { 2726}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HB2 ))
ASSI { 2727}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HB3 ))
3.100 1.200 1.200 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 0.779 ppm2 1.922 CV 1
OR { 2727}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HB3 ))
OR { 2727}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HB3 ))
ASSI { 2728}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HG ))
2.400 0.700 0.700 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.31777E-02 ppm1 0.778 ppm2 1.810 CV 1
OR { 2728}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HG ))
OR { 2728}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HG ))
ASSI { 2729}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 6 and name HB2 ))
3.400 1.400 1.400 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 0.776 ppm2 2.226 CV 1
OR { 2729}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 6 and name HB2 ))
OR { 2729}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 2730}
(( segid "B " and resid 35 and name HG2 ))
(( segid "B " and resid 36 and name HG2 ))
4.000 2.000 2.000 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 0.779 ppm2 2.542 CV 1
ASSI { 2731}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 41 and name HB2 ))
2.400 0.700 0.700 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.35244E-02 ppm1 0.778 ppm2 2.434 CV 1
OR { 2731}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 41 and name HB2 ))
OR { 2731}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 41 and name HB2 ))
ASSI { 2732}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 42 and name HG ))
2.200 0.600 0.600 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.51522E-02 ppm1 0.683 ppm2 1.541 CV 1
OR { 2732}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 42 and name HG ))
OR { 2732}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 42 and name HG ))
ASSI { 2733}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 42 and name HB2 ))
2.600 0.900 0.900 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.36306E-02 ppm1 0.683 ppm2 2.066 CV 1
OR { 2733}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 42 and name HB2 ))
OR { 2733}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 42 and name HB2 ))
ASSI { 2734}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 42 and name HB3 ))
2.300 0.700 0.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.33274E-02 ppm1 0.684 ppm2 1.921 CV 1
OR { 2734}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 42 and name HB3 ))
OR { 2734}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 42 and name HB3 ))
ASSI { 2735}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 43 and name HD3 ))
3.100 1.200 1.200 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.34227E-02 ppm1 0.779 ppm2 3.217 CV 1
OR { 2735}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 43 and name HD3 ))
ASSI { 2736}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 45 and name HB2 ))
5.100 3.200 0.900 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.61127E-03 ppm1 0.780 ppm2 3.407 CV 1
OR { 2736}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 45 and name HB2 ))
OR { 2736}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 2738}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 43 and name HD2 ))
4.500 2.500 1.500 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.83279E-03 ppm1 0.777 ppm2 3.738 CV 1
OR { 2738}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 43 and name HD2 ))
ASSI { 2739}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HA ))
3.600 1.600 1.600 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.18646E-02 ppm1 0.684 ppm2 3.861 CV 1
OR { 2739}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 38 and name HA ))
OR { 2739}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 38 and name HA ))
ASSI { 2740}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HA ))
4.400 2.400 1.600 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.81632E-03 ppm1 0.779 ppm2 4.277 CV 1
OR { 2740}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HA ))
OR { 2740}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HA ))
ASSI { 2741}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 6 and name HA ))
3.400 1.400 1.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.22846E-02 ppm1 0.777 ppm2 4.064 CV 1
OR { 2741}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 6 and name HA ))
OR { 2741}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 6 and name HA ))
ASSI { 2742}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name HA ))
2.900 1.000 1.000 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.55100E-02 ppm1 0.778 ppm2 5.512 CV 1
OR { 2742}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name HA ))
OR { 2742}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name HA ))
ASSI { 2743}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 42 and name HA ))
4.000 2.000 2.000 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 0.684 ppm2 5.514 CV 1
OR { 2743}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 42 and name HA ))
OR { 2743}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 42 and name HA ))
ASSI { 2744}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 42 and name H ))
2.800 1.000 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 0.779 ppm2 7.604 CV 1
OR { 2744}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 42 and name H ))
OR { 2744}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 42 and name H ))
ASSI { 2745}
(( segid "B " and resid 42 and name HD12))
( segid "B " and resid 45 and name HD% )
4.100 2.100 1.900 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.33316E-02 ppm1 0.779 ppm2 7.316 CV 1
OR { 2745}
(( segid "B " and resid 42 and name HD11))
( segid "B " and resid 45 and name HD% )
OR { 2745}
(( segid "B " and resid 42 and name HD13))
( segid "B " and resid 45 and name HD% )
ASSI { 2746}
(( segid "B " and resid 42 and name HD11))
( segid "B " and resid 45 and name HE% )
3.800 1.800 1.800 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.29068E-02 ppm1 0.779 ppm2 7.132 CV 1
OR { 2746}
(( segid "B " and resid 42 and name HD13))
( segid "B " and resid 45 and name HE% )
OR { 2746}
(( segid "B " and resid 42 and name HD12))
( segid "B " and resid 45 and name HE% )
ASSI { 2748}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 9 and name H ))
5.000 3.200 1.000 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.59394E-03 ppm1 0.774 ppm2 7.831 CV 1
OR { 2748}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 9 and name H ))
OR { 2748}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 9 and name H ))
ASSI { 2749}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 45 and name H ))
4.200 2.200 1.800 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 0.777 ppm2 8.043 CV 1
OR { 2749}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 45 and name H ))
OR { 2749}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 45 and name H ))
ASSI { 2754}
(( segid "B " and resid 42 and name HD21))
( segid "B " and resid 45 and name HD% )
3.300 1.300 1.300 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 0.685 ppm2 7.313 CV 1
OR { 2754}
(( segid "B " and resid 42 and name HD22))
( segid "B " and resid 45 and name HD% )
OR { 2754}
(( segid "B " and resid 42 and name HD23))
( segid "B " and resid 45 and name HD% )
ASSI { 2755}
(( segid "B " and resid 42 and name HD23))
( segid "B " and resid 78 and name HE% )
2.800 1.000 1.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 0.683 ppm2 6.895 CV 1
OR { 2755}
(( segid "B " and resid 42 and name HD22))
( segid "B " and resid 78 and name HE% )
OR { 2755}
(( segid "B " and resid 42 and name HD21))
( segid "B " and resid 78 and name HE% )
ASSI { 2756}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 78 and name HZ ))
3.300 1.400 1.400 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.91322E-03 ppm1 0.678 ppm2 6.819 CV 1
OR { 2756}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 78 and name HZ ))
OR { 2756}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 78 and name HZ ))
ASSI { 2757}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name H ))
2.700 2.700 3.300 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.78078E-03 ppm1 0.776 ppm2 10.752 CV 1
OR { 2757}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name H ))
ASSI { 2758}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name H ))
3.100 1.200 1.200 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.10307E-02 ppm1 4.934 ppm2 8.572 CV 1
ASSI { 2762}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HB3 ))
2.700 0.900 0.900 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.19320E-02 ppm1 4.937 ppm2 2.168 CV 1
ASSI { 2763}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HB2 ))
2.800 1.000 1.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.25708E-02 ppm1 4.941 ppm2 2.416 CV 1
ASSI { 2764}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HG2 ))
4.100 2.100 1.900 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.66090E-03 ppm1 4.940 ppm2 2.624 CV 1
ASSI { 2765}
(( segid "B " and resid 41 and name HA ))
(( segid "B " and resid 41 and name H ))
3.300 1.300 1.300 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.79682E-03 ppm1 4.950 ppm2 8.519 CV 1
ASSI { 2766}
(( segid "B " and resid 41 and name HA ))
(( segid "B " and resid 42 and name H ))
3.600 1.600 1.600 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.64182E-03 ppm1 4.945 ppm2 7.607 CV 1
ASSI { 2767}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 40 and name H ))
3.900 1.900 1.900 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 3.404 ppm2 8.121 CV 1
ASSI { 2768}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 41 and name H ))
2.900 2.900 3.100 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.48901E-03 ppm1 3.402 ppm2 8.572 CV 1
ASSI { 2769}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 40 and name H ))
2.700 0.900 0.900 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.18453E-02 ppm1 1.846 ppm2 8.121 CV 1
ASSI { 2770}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name H ))
3.600 1.700 1.700 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.22868E-02 ppm1 2.005 ppm2 8.123 CV 1
ASSI { 2771}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 39 and name H ))
4.500 2.600 1.500 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.81955E-03 ppm1 2.008 ppm2 7.948 CV 1
ASSI { 2772}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 39 and name H ))
4.000 2.000 2.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.61689E-03 ppm1 1.841 ppm2 7.944 CV 1
ASSI { 2773}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 39 and name H ))
2.800 2.800 3.200 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.58635E-03 ppm1 3.404 ppm2 7.956 CV 1
ASSI { 2774}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 41 and name H ))
4.600 2.700 1.400 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 1.998 ppm2 8.580 CV 1
ASSI { 2775}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name H ))
4.200 2.200 1.800 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.79008E-03 ppm1 2.003 ppm2 8.112 CV 1
ASSI { 2778}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 41 and name H ))
3.500 1.600 1.600 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.89694E-03 ppm1 4.419 ppm2 8.580 CV 1
ASSI { 2779}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HD2 ))
2.500 0.800 0.800 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.26661E-02 ppm1 4.424 ppm2 3.401 CV 1
OR { 2779}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HD3 ))
ASSI { 2780}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name HD3 ))
2.300 0.600 0.600 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.70145E-02 ppm1 2.003 ppm2 3.401 CV 1
OR { 2780}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name HD2 ))
ASSI { 2781}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name HA ))
3.400 1.400 1.400 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.37823E-02 ppm1 2.003 ppm2 4.430 CV 1
ASSI { 2782}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB2 ))
2.900 1.100 1.100 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.27810E-02 ppm1 4.421 ppm2 2.183 CV 1
ASSI { 2783}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB3 ))
2.200 0.600 0.600 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.63814E-02 ppm1 4.419 ppm2 2.001 CV 1
ASSI { 2784}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HG2 ))
2.700 0.900 0.900 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.38043E-02 ppm1 4.419 ppm2 1.840 CV 1
ASSI { 2796}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name H ))
2.900 1.000 1.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.18969E-02 ppm1 4.444 ppm2 8.223 CV 1
ASSI { 2797}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 41 and name H ))
3.500 1.600 1.600 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.93097E-03 ppm1 4.452 ppm2 8.521 CV 1
ASSI { 2798}
(( segid "B " and resid 40 and name HB2 ))
(( segid "B " and resid 41 and name H ))
2.900 1.000 1.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.66978E-03 ppm1 2.210 ppm2 8.517 CV 1
ASSI { 2800}
(( segid "B " and resid 40 and name HB3 ))
(( segid "B " and resid 40 and name H ))
3.800 1.800 1.800 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 1.992 ppm2 8.224 CV 1
ASSI { 2802}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 40 and name H ))
2.600 0.900 0.900 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.20794E-02 ppm1 2.000 ppm2 8.219 CV 1
ASSI { 2803}
(( segid "B " and resid 40 and name HG3 ))
(( segid "B " and resid 40 and name H ))
3.800 1.800 1.800 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 1.822 ppm2 8.221 CV 1
ASSI { 2804}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 41 and name H ))
4.800 2.900 1.200 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.48878E-03 ppm1 1.997 ppm2 8.516 CV 1
ASSI { 2805}
(( segid "B " and resid 40 and name HG3 ))
(( segid "B " and resid 41 and name H ))
4.800 2.900 1.200 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.67672E-03 ppm1 1.823 ppm2 8.525 CV 1
ASSI { 2810}
(( segid "B " and resid 40 and name HD2 ))
(( segid "B " and resid 40 and name H ))
4.100 2.100 1.900 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.13053E-02 ppm1 3.396 ppm2 8.221 CV 1
OR { 2810}
(( segid "B " and resid 40 and name HD3 ))
(( segid "B " and resid 40 and name H ))
ASSI { 2811}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name HD2 ))
2.300 0.700 0.700 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.24689E-02 ppm1 4.444 ppm2 3.386 CV 1
ASSI { 2812}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 4.446 ppm2 2.201 CV 1
ASSI { 2813}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name HG2 ))
2.600 0.800 0.800 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.56120E-02 ppm1 4.446 ppm2 1.991 CV 1
ASSI { 2814}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name HG3 ))
3.500 1.500 1.500 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.34811E-02 ppm1 4.446 ppm2 1.831 CV 1
ASSI { 2816}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 46 and name HD21))
4.100 2.100 1.900 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 3.909 ppm2 0.975 CV 1
OR { 2816}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 46 and name HD22))
OR { 2816}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 46 and name HD23))
ASSI { 2818}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 39 and name HB ))
2.700 0.900 0.900 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.27247E-02 ppm1 3.908 ppm2 4.244 CV 1
ASSI { 2821}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 39 and name HG22))
2.300 0.700 0.700 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.90889E-02 ppm1 4.238 ppm2 1.356 CV 1
OR { 2821}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 39 and name HG21))
OR { 2821}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 39 and name HG23))
ASSI { 2822}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 40 and name HG2 ))
3.800 1.800 1.800 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.62471E-03 ppm1 4.238 ppm2 1.843 CV 1
ASSI { 2823}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 40 and name HG3 ))
4.500 2.600 1.500 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.10114E-02 ppm1 4.237 ppm2 2.001 CV 1
OR { 2823}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 2824}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 36 and name HB3 ))
5.100 3.200 0.900 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.73525E-03 ppm1 4.231 ppm2 2.208 CV 1
OR { 2824}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 36 and name HB2 ))
ASSI { 2828}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 35 and name HG3 ))
2.800 1.000 1.000 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.28482E-02 ppm1 1.352 ppm2 0.877 CV 1
OR { 2828}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 35 and name HG3 ))
OR { 2828}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 35 and name HG3 ))
ASSI { 2830}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 35 and name HG2 ))
2.900 1.100 1.100 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.19522E-02 ppm1 1.362 ppm2 0.773 CV 1
OR { 2830}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 35 and name HG2 ))
OR { 2830}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 35 and name HG3 ))
OR { 2830}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 35 and name HG2 ))
OR { 2830}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 35 and name HG3 ))
ASSI { 2836}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 35 and name HE3 ))
3.000 1.100 1.100 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.21550E-02 ppm1 1.352 ppm2 2.763 CV 1
OR { 2836}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 35 and name HE3 ))
OR { 2836}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 35 and name HE3 ))
ASSI { 2837}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 35 and name HE3 ))
3.100 1.200 1.200 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.20128E-02 ppm1 1.363 ppm2 2.663 CV 1
OR { 2837}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 35 and name HE3 ))
OR { 2837}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 35 and name HE3 ))
ASSI { 2838}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HD2 ))
3.500 1.500 1.500 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 1.354 ppm2 3.406 CV 1
OR { 2838}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HD2 ))
OR { 2838}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HD2 ))
OR { 2838}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HD3 ))
OR { 2838}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HD3 ))
OR { 2838}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HD3 ))
ASSI { 2839}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 39 and name HA ))
2.200 0.600 0.600 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.14345E-01 ppm1 1.352 ppm2 3.906 CV 1
OR { 2839}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 39 and name HA ))
OR { 2839}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 39 and name HA ))
ASSI { 2840}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 39 and name HA ))
2.300 0.700 0.700 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.11902E-01 ppm1 1.363 ppm2 3.978 CV 1
OR { 2840}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 39 and name HA ))
OR { 2840}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 39 and name HA ))
ASSI { 2841}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 39 and name HB ))
2.000 0.500 0.500 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.22153E-01 ppm1 1.357 ppm2 4.238 CV 1
OR { 2841}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 39 and name HB ))
OR { 2841}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 39 and name HB ))
ASSI { 2848}
(( segid "A " and resid 39 and name HG21))
( segid "A " and resid 55 and name HE% )
2.800 1.000 1.000 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.66025E-02 ppm1 1.358 ppm2 7.230 CV 1
OR { 2848}
(( segid "A " and resid 39 and name HG23))
( segid "A " and resid 55 and name HE% )
OR { 2848}
(( segid "A " and resid 39 and name HG22))
( segid "A " and resid 55 and name HE% )
OR { 2848}
(( segid "A " and resid 39 and name HG23))
( segid "A " and resid 55 and name HD% )
ASSI { 2849}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 39 and name H ))
2.300 0.700 0.700 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.10129E-01 ppm1 1.353 ppm2 7.941 CV 1
OR { 2849}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 39 and name H ))
OR { 2849}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 39 and name H ))
ASSI { 2852}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 40 and name H ))
3.500 1.500 1.500 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.72505E-03 ppm1 3.905 ppm2 8.118 CV 1
ASSI { 2855}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 39 and name H ))
3.200 1.300 1.300 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.23692E-02 ppm1 4.238 ppm2 7.951 CV 1
ASSI { 2857}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name H ))
3.600 1.600 1.600 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.26184E-02 ppm1 1.363 ppm2 8.225 CV 1
OR { 2857}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name H ))
OR { 2857}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name H ))
ASSI { 2860}
(( segid "B " and resid 39 and name HB ))
(( segid "B " and resid 39 and name H ))
3.400 1.400 1.400 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 4.229 ppm2 7.958 CV 1
ASSI { 2862}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 39 and name H ))
2.400 0.700 0.700 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.10129E-01 ppm1 1.359 ppm2 7.961 CV 1
OR { 2862}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 39 and name H ))
OR { 2862}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 39 and name H ))
ASSI { 2863}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 39 and name HB ))
2.800 0.900 0.900 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.27659E-02 ppm1 3.975 ppm2 4.233 CV 1
ASSI { 2865}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 36 and name HA ))
3.500 1.500 1.500 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.19140E-02 ppm1 1.363 ppm2 3.838 CV 1
OR { 2865}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 36 and name HA ))
OR { 2865}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 36 and name HA ))
ASSI { 2866}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 35 and name HA ))
3.500 1.500 1.500 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.12576E-02 ppm1 1.362 ppm2 3.543 CV 1
OR { 2866}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 35 and name HA ))
OR { 2866}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 35 and name HA ))
ASSI { 2867}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HD2 ))
4.000 2.000 2.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 1.359 ppm2 3.388 CV 1
OR { 2867}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HD2 ))
OR { 2867}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HD2 ))
OR { 2867}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HD3 ))
OR { 2867}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HD3 ))
ASSI { 2868}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 36 and name HG2 ))
4.100 2.100 1.900 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.81739E-03 ppm1 1.359 ppm2 2.499 CV 1
OR { 2868}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 36 and name HG2 ))
OR { 2868}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 36 and name HG2 ))
ASSI { 2873}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 46 and name HD23))
3.100 3.100 2.900 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.49834E-02 ppm1 1.363 ppm2 0.961 CV 1
OR { 2873}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 46 and name HD23))
OR { 2873}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 46 and name HD23))
OR { 2873}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 46 and name HD21))
OR { 2873}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 46 and name HD21))
OR { 2873}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 46 and name HD21))
OR { 2873}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 46 and name HD22))
OR { 2873}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 46 and name HD22))
ASSI { 2875}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HD12))
3.100 1.200 1.200 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.33316E-02 ppm1 3.809 ppm2 1.002 CV 1
OR { 2875}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HD11))
OR { 2875}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HD13))
ASSI { 2879}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HB3 ))
2.300 0.700 0.700 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.15138E-02 ppm1 3.807 ppm2 1.660 CV 1
ASSI { 2880}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HG ))
2.100 0.600 0.600 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 3.807 ppm2 1.904 CV 1
OR { 2880}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HB2 ))
ASSI { 2882}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 42 and name HB2 ))
2.100 0.600 0.600 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.72657E-03 ppm1 3.807 ppm2 2.119 CV 1
ASSI { 2884}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD12))
2.700 0.900 0.900 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.13994E-02 ppm1 1.901 ppm2 0.994 CV 1
OR { 2884}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD13))
OR { 2884}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD11))
ASSI { 2885}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD23))
3.300 1.400 1.400 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 1.894 ppm2 0.929 CV 1
OR { 2885}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD22))
OR { 2885}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HD21))
ASSI { 2886}
(( segid "A " and resid 38 and name HB3 ))
(( segid "A " and resid 38 and name HB2 ))
1.600 0.300 0.600 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.48403E-02 ppm1 1.666 ppm2 1.899 CV 1
ASSI { 2887}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 34 and name HD23))
3.400 1.400 1.400 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.17063E-02 ppm1 1.904 ppm2 0.774 CV 1
OR { 2887}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 34 and name HD21))
OR { 2887}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 34 and name HD22))
OR { 2887}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 34 and name HD12))
ASSI { 2891}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name HA ))
2.800 1.000 1.000 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 1.898 ppm2 3.804 CV 1
ASSI { 2893}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 38 and name HA ))
2.300 0.700 0.700 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 1.903 ppm2 3.808 CV 1
ASSI { 2896}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 39 and name H ))
3.000 1.100 1.100 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.85381E-03 ppm1 3.809 ppm2 7.941 CV 1
ASSI { 2898}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 38 and name H ))
2.300 0.600 0.600 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.19305E-02 ppm1 1.898 ppm2 8.560 CV 1
ASSI { 2899}
(( segid "A " and resid 38 and name HB2 ))
(( segid "A " and resid 39 and name H ))
3.000 1.200 1.200 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 1.893 ppm2 7.947 CV 1
ASSI { 2900}
(( segid "A " and resid 38 and name HB2 ))
( segid "A " and resid 55 and name HE% )
3.700 1.700 1.700 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.67672E-03 ppm1 1.897 ppm2 7.228 CV 1
ASSI { 2901}
(( segid "A " and resid 38 and name HB3 ))
(( segid "A " and resid 39 and name H ))
3.300 1.400 1.400 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.674 ppm2 7.941 CV 1
ASSI { 2903}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 38 and name H ))
2.600 0.900 0.900 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.26445E-02 ppm1 1.902 ppm2 8.562 CV 1
ASSI { 2905}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 38 and name H ))
3.400 1.500 1.500 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.43851E-02 ppm1 0.928 ppm2 8.563 CV 1
OR { 2905}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 38 and name H ))
OR { 2905}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 38 and name H ))
ASSI { 2906}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 39 and name H ))
3.700 1.700 1.700 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 0.928 ppm2 7.951 CV 1
OR { 2906}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 39 and name H ))
OR { 2906}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 39 and name H ))
ASSI { 2908}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 42 and name H ))
4.900 3.000 1.100 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.57592E-03 ppm1 0.933 ppm2 7.705 CV 1
OR { 2908}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 42 and name H ))
OR { 2908}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 42 and name H ))
ASSI { 2909}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 38 and name H ))
2.600 0.900 0.900 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.44697E-02 ppm1 1.004 ppm2 8.564 CV 1
OR { 2909}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 38 and name H ))
OR { 2909}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 38 and name H ))
ASSI { 2910}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 39 and name H ))
3.600 1.600 1.600 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.28092E-02 ppm1 1.004 ppm2 7.950 CV 1
OR { 2910}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 39 and name H ))
OR { 2910}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 39 and name H ))
ASSI { 2911}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name H ))
4.600 2.600 1.400 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.12381E-02 ppm1 1.003 ppm2 7.698 CV 1
OR { 2911}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name H ))
OR { 2911}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name H ))
ASSI { 2913}
(( segid "A " and resid 38 and name HD12))
( segid "A " and resid 55 and name HD% )
3.100 1.200 1.200 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.58916E-02 ppm1 1.004 ppm2 7.217 CV 1
OR { 2913}
(( segid "A " and resid 38 and name HD13))
( segid "A " and resid 55 and name HD% )
OR { 2913}
(( segid "A " and resid 38 and name HD11))
( segid "A " and resid 55 and name HD% )
ASSI { 2914}
(( segid "A " and resid 38 and name HD13))
( segid "A " and resid 78 and name HE% )
2.300 0.700 0.700 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.11178E-01 ppm1 1.004 ppm2 7.036 CV 1
OR { 2914}
(( segid "A " and resid 38 and name HD11))
( segid "A " and resid 78 and name HE% )
OR { 2914}
(( segid "A " and resid 38 and name HD12))
( segid "A " and resid 78 and name HE% )
ASSI { 2915}
(( segid "A " and resid 38 and name HD11))
( segid "A " and resid 78 and name HD% )
3.200 1.300 1.300 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 1.006 ppm2 7.107 CV 1
OR { 2915}
(( segid "A " and resid 38 and name HD13))
( segid "A " and resid 78 and name HD% )
OR { 2915}
(( segid "A " and resid 38 and name HD12))
( segid "A " and resid 78 and name HD% )
ASSI { 2916}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 46 and name H ))
3.700 1.700 1.700 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 0.927 ppm2 7.296 CV 1
OR { 2916}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 46 and name H ))
OR { 2916}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 46 and name H ))
ASSI { 2917}
(( segid "A " and resid 38 and name HD22))
( segid "A " and resid 55 and name HE% )
2.800 0.900 0.900 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.11965E-01 ppm1 0.928 ppm2 7.218 CV 1
OR { 2917}
(( segid "A " and resid 38 and name HD23))
( segid "A " and resid 55 and name HE% )
OR { 2917}
(( segid "A " and resid 38 and name HD21))
( segid "A " and resid 55 and name HE% )
ASSI { 2918}
(( segid "A " and resid 38 and name HD21))
( segid "A " and resid 78 and name HD% )
3.800 1.800 1.800 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 0.929 ppm2 7.126 CV 1
OR { 2918}
(( segid "A " and resid 38 and name HD22))
( segid "A " and resid 78 and name HD% )
OR { 2918}
(( segid "A " and resid 38 and name HD23))
( segid "A " and resid 78 and name HD% )
ASSI { 2919}
(( segid "A " and resid 38 and name HD21))
( segid "A " and resid 78 and name HE% )
2.600 0.800 0.800 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.46082E-02 ppm1 0.928 ppm2 7.036 CV 1
OR { 2919}
(( segid "A " and resid 38 and name HD22))
( segid "A " and resid 78 and name HE% )
OR { 2919}
(( segid "A " and resid 38 and name HD23))
( segid "A " and resid 78 and name HE% )
ASSI { 2920}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 35 and name HA ))
3.700 1.700 1.700 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 1.004 ppm2 3.450 CV 1
OR { 2920}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 35 and name HA ))
OR { 2920}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 35 and name HA ))
ASSI { 2921}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HA ))
3.700 1.700 1.700 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.84038E-03 ppm1 1.005 ppm2 3.964 CV 1
OR { 2921}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HA ))
OR { 2921}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HA ))
ASSI { 2924}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 50 and name HB ))
5.500 3.700 0.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.12635E-02 ppm1 1.004 ppm2 4.472 CV 1
OR { 2924}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 50 and name HB ))
OR { 2924}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 50 and name HB ))
ASSI { 2925}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 38 and name HA ))
3.000 1.200 1.200 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.28266E-02 ppm1 0.929 ppm2 3.805 CV 1
OR { 2925}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 38 and name HA ))
OR { 2925}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 38 and name HA ))
ASSI { 2926}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 35 and name HA ))
3.700 1.700 1.700 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.42421E-02 ppm1 0.928 ppm2 3.453 CV 1
OR { 2926}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 35 and name HA ))
OR { 2926}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 35 and name HA ))
ASSI { 2929}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 34 and name HA ))
4.300 2.400 1.700 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.11616E-02 ppm1 0.927 ppm2 3.958 CV 1
OR { 2929}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 34 and name HA ))
OR { 2929}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 34 and name HA ))
ASSI { 2933}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD23))
2.800 1.000 1.000 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.11677E-01 ppm1 1.004 ppm2 0.704 CV 1
OR { 2933}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD23))
OR { 2933}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD21))
OR { 2933}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HD23))
OR { 2933}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD21))
OR { 2933}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD22))
OR { 2933}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HD21))
OR { 2933}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD22))
ASSI { 2935}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 38 and name HB3 ))
2.600 0.800 0.800 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.74717E-02 ppm1 1.004 ppm2 1.667 CV 1
OR { 2935}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 38 and name HB3 ))
OR { 2935}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 38 and name HB3 ))
ASSI { 2937}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 38 and name HG ))
1.800 0.400 0.400 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.17202E-01 ppm1 1.004 ppm2 1.903 CV 1
OR { 2937}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 38 and name HG ))
OR { 2937}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 38 and name HG ))
ASSI { 2938}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 46 and name HB3 ))
4.700 2.800 1.300 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.13803E-02 ppm1 1.005 ppm2 1.813 CV 1
OR { 2938}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 46 and name HB3 ))
OR { 2938}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 46 and name HB2 ))
OR { 2938}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 46 and name HB2 ))
OR { 2938}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 2939}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HB2 ))
3.500 1.500 1.500 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 1.005 ppm2 2.130 CV 1
OR { 2939}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HB2 ))
OR { 2939}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HB2 ))
ASSI { 2940}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 38 and name HB3 ))
2.100 0.500 0.500 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.66632E-02 ppm1 0.928 ppm2 1.667 CV 1
OR { 2940}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 38 and name HB3 ))
OR { 2940}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 38 and name HB3 ))
ASSI { 2943}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 38 and name HG ))
1.800 0.400 0.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.17887E-01 ppm1 0.928 ppm2 1.901 CV 1
OR { 2943}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 38 and name HG ))
OR { 2943}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 38 and name HG ))
ASSI { 2945}
(( segid "A " and resid 38 and name HD22))
( segid "C " and resid 1900 and name HD2%)
2.500 0.800 0.800 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.45649E-02 ppm1 0.927 ppm2 1.092 CV 1
OR { 2945}
(( segid "A " and resid 38 and name HD23))
( segid "C " and resid 1900 and name HD2%)
OR { 2945}
(( segid "A " and resid 38 and name HD21))
( segid "C " and resid 1900 and name HD2%)
ASSI { 2946}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 82 and name HD11))
3.400 1.500 1.500 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.28699E-02 ppm1 1.004 ppm2 -0.108 CV 1
OR { 2946}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 82 and name HD11))
OR { 2946}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 82 and name HD12))
OR { 2946}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 82 and name HD12))
OR { 2946}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 82 and name HD13))
OR { 2946}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 82 and name HD13))
OR { 2946}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 82 and name HD11))
OR { 2946}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 82 and name HD12))
ASSI { 2948}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 82 and name HD11))
3.500 1.600 1.600 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 0.928 ppm2 -0.111 CV 1
OR { 2948}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 82 and name HD13))
OR { 2948}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 82 and name HD12))
OR { 2948}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 82 and name HD11))
OR { 2948}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 82 and name HD11))
OR { 2948}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 82 and name HD13))
OR { 2948}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 82 and name HD12))
OR { 2948}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 82 and name HD12))
ASSI { 2952}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HD23))
2.800 1.000 1.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.51090E-02 ppm1 3.861 ppm2 1.040 CV 1
OR { 2952}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HD21))
OR { 2952}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HD22))
OR { 2952}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HD12))
OR { 2952}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HD11))
ASSI { 2953}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HB2 ))
2.700 0.900 0.900 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.15847E-02 ppm1 3.856 ppm2 1.719 CV 1
ASSI { 2954}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 42 and name HB3 ))
3.700 1.700 1.700 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 3.856 ppm2 1.917 CV 1
ASSI { 2955}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HB3 ))
2.400 0.700 0.700 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 3.860 ppm2 2.011 CV 1
ASSI { 2956}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name HG ))
2.300 0.600 0.600 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 3.860 ppm2 2.062 CV 1
ASSI { 2957}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HD23))
2.600 0.800 0.800 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.29068E-02 ppm1 2.007 ppm2 1.041 CV 1
OR { 2957}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HD22))
OR { 2957}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HD21))
OR { 2957}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HD12))
OR { 2957}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HD13))
ASSI { 2958}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 38 and name HB2 ))
1.800 0.400 0.400 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 2.004 ppm2 1.718 CV 1
ASSI { 2960}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name HD21))
2.200 0.600 0.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.49140E-02 ppm1 2.067 ppm2 1.040 CV 1
OR { 2960}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name HD11))
OR { 2960}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name HD12))
OR { 2960}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name HD13))
OR { 2960}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name HD22))
ASSI { 2964}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 38 and name H ))
2.400 0.700 0.700 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 3.858 ppm2 8.520 CV 1
ASSI { 2965}
(( segid "B " and resid 38 and name HA ))
(( segid "B " and resid 39 and name H ))
3.200 1.300 1.300 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.57353E-03 ppm1 3.850 ppm2 7.963 CV 1
ASSI { 2967}
(( segid "B " and resid 38 and name HB3 ))
(( segid "B " and resid 39 and name H ))
3.400 1.500 1.500 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.95438E-03 ppm1 2.008 ppm2 7.955 CV 1
ASSI { 2969}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 38 and name H ))
2.700 0.900 0.900 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 2.066 ppm2 8.521 CV 1
ASSI { 2970}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 39 and name H ))
4.300 2.400 1.700 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.54299E-03 ppm1 2.063 ppm2 7.957 CV 1
ASSI { 2971}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 35 and name HA ))
2.900 1.100 1.100 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.29848E-02 ppm1 1.040 ppm2 3.545 CV 1
OR { 2971}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 35 and name HA ))
OR { 2971}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 35 and name HA ))
ASSI { 2972}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 38 and name HA ))
3.300 1.300 1.300 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.26011E-02 ppm1 1.039 ppm2 3.859 CV 1
OR { 2972}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 38 and name HA ))
OR { 2972}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 38 and name HA ))
ASSI { 2974}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HA ))
3.500 1.500 1.500 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 1.040 ppm2 3.984 CV 1
OR { 2974}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HA ))
OR { 2974}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HA ))
ASSI { 2975}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 35 and name HA ))
4.200 2.200 1.800 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 1.040 ppm2 3.541 CV 1
OR { 2975}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 35 and name HA ))
OR { 2975}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 35 and name HA ))
ASSI { 2977}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 38 and name HA ))
2.400 0.700 0.700 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.11863E-01 ppm1 1.040 ppm2 3.860 CV 1
OR { 2977}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 38 and name HA ))
OR { 2977}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 38 and name HA ))
ASSI { 2978}
(( segid "B " and resid 38 and name HD12))
( segid "B " and resid 55 and name HE% )
2.700 0.900 0.900 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.72008E-02 ppm1 1.038 ppm2 7.269 CV 1
OR { 2978}
(( segid "B " and resid 38 and name HD13))
( segid "B " and resid 55 and name HE% )
OR { 2978}
(( segid "B " and resid 38 and name HD11))
( segid "B " and resid 55 and name HE% )
ASSI { 2979}
(( segid "B " and resid 38 and name HD11))
( segid "B " and resid 78 and name HD% )
4.100 2.100 1.900 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 1.039 ppm2 7.004 CV 1
OR { 2979}
(( segid "B " and resid 38 and name HD13))
( segid "B " and resid 78 and name HD% )
OR { 2979}
(( segid "B " and resid 38 and name HD12))
( segid "B " and resid 78 and name HD% )
ASSI { 2980}
(( segid "B " and resid 38 and name HD13))
( segid "B " and resid 78 and name HE% )
2.800 1.000 1.000 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.25751E-02 ppm1 1.040 ppm2 6.895 CV 1
OR { 2980}
(( segid "B " and resid 38 and name HD11))
( segid "B " and resid 78 and name HE% )
OR { 2980}
(( segid "B " and resid 38 and name HD12))
( segid "B " and resid 78 and name HE% )
ASSI { 2981}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 78 and name HZ ))
2.800 1.000 1.000 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 1.040 ppm2 6.817 CV 1
OR { 2981}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 78 and name HZ ))
OR { 2981}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 78 and name HZ ))
ASSI { 2982}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 39 and name H ))
3.900 1.900 1.900 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 1.038 ppm2 7.966 CV 1
OR { 2982}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 39 and name H ))
OR { 2982}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 39 and name H ))
ASSI { 2983}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 38 and name H ))
2.800 1.000 1.000 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.35634E-02 ppm1 1.039 ppm2 8.521 CV 1
OR { 2983}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 38 and name H ))
OR { 2983}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 38 and name H ))
ASSI { 2984}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 38 and name H ))
3.500 1.500 1.500 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.43590E-02 ppm1 1.040 ppm2 8.520 CV 1
OR { 2984}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 38 and name H ))
OR { 2984}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 38 and name H ))
ASSI { 2987}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 39 and name H ))
3.900 1.900 1.900 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.19179E-02 ppm1 1.040 ppm2 7.959 CV 1
OR { 2987}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 39 and name H ))
OR { 2987}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 39 and name H ))
ASSI { 2988}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1929 and name H ))
5.100 3.200 0.900 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.55881E-03 ppm1 1.040 ppm2 8.591 CV 1
OR { 2988}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1929 and name H ))
OR { 2988}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1929 and name H ))
ASSI { 2989}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name H ))
4.400 2.400 1.600 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 1.039 ppm2 7.604 CV 1
OR { 2989}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name H ))
OR { 2989}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name H ))
ASSI { 2990}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1928 and name HE% )
2.700 0.900 0.900 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.48772E-02 ppm1 1.040 ppm2 7.287 CV 1
OR { 2990}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 2990}
(( segid "B " and resid 38 and name HD23))
( segid "C " and resid 1928 and name HE% )
ASSI { 2991}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
3.100 1.200 1.200 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.29609E-02 ppm1 1.039 ppm2 7.209 CV 1
OR { 2991}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
OR { 2991}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 2992}
(( segid "B " and resid 38 and name HD21))
( segid "B " and resid 78 and name HD% )
3.600 1.600 1.600 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.24017E-02 ppm1 1.040 ppm2 7.007 CV 1
OR { 2992}
(( segid "B " and resid 38 and name HD22))
( segid "B " and resid 78 and name HD% )
OR { 2992}
(( segid "B " and resid 38 and name HD23))
( segid "B " and resid 78 and name HD% )
ASSI { 2993}
(( segid "B " and resid 38 and name HD22))
( segid "B " and resid 78 and name HE% )
2.700 0.900 0.900 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.66936E-02 ppm1 1.039 ppm2 6.893 CV 1
OR { 2993}
(( segid "B " and resid 38 and name HD21))
( segid "B " and resid 78 and name HE% )
OR { 2993}
(( segid "B " and resid 38 and name HD23))
( segid "B " and resid 78 and name HE% )
ASSI { 2994}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 78 and name HZ ))
2.600 0.800 0.800 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.44913E-02 ppm1 1.039 ppm2 6.819 CV 1
OR { 2994}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 78 and name HZ ))
OR { 2994}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 78 and name HZ ))
ASSI { 2995}
(( segid "B " and resid 38 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
3.300 1.300 1.300 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.43286E-02 ppm1 1.037 ppm2 7.195 CV 1
OR { 2995}
(( segid "B " and resid 38 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 2995}
(( segid "B " and resid 38 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 2996}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 38 and name HB2 ))
2.100 0.600 0.600 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.70210E-02 ppm1 1.038 ppm2 1.716 CV 1
OR { 2996}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 38 and name HB2 ))
OR { 2996}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 38 and name HB2 ))
ASSI { 2997}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HG ))
3.200 1.300 1.300 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.56226E-02 ppm1 1.039 ppm2 1.644 CV 1
OR { 2997}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HG ))
OR { 2997}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HG ))
ASSI { 2998}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 38 and name HG ))
2.000 0.500 0.500 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.97779E-02 ppm1 1.039 ppm2 2.060 CV 1
OR { 2998}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 38 and name HG ))
OR { 2998}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 38 and name HG ))
ASSI { 2999}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 38 and name HB3 ))
2.600 0.900 0.900 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 1.038 ppm2 2.009 CV 1
OR { 2999}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 38 and name HB3 ))
OR { 2999}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 38 and name HB3 ))
ASSI { 3001}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 38 and name HG ))
1.900 0.400 0.400 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.13149E-01 ppm1 1.040 ppm2 2.062 CV 1
OR { 3001}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 38 and name HG ))
OR { 3001}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 38 and name HG ))
ASSI { 3003}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 38 and name HB3 ))
2.200 0.600 0.600 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.53779E-02 ppm1 1.040 ppm2 2.002 CV 1
OR { 3003}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 38 and name HB3 ))
OR { 3003}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 38 and name HB3 ))
ASSI { 3004}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 38 and name HB2 ))
2.700 0.900 0.900 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 1.039 ppm2 1.717 CV 1
OR { 3004}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 38 and name HB2 ))
OR { 3004}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 38 and name HB2 ))
ASSI { 3007}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD12))
3.700 1.700 1.700 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.23453E-02 ppm1 1.040 ppm2 0.773 CV 1
OR { 3007}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD12))
OR { 3007}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name HD12))
OR { 3007}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD13))
OR { 3007}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD13))
OR { 3007}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD11))
OR { 3007}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD11))
OR { 3007}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name HD13))
ASSI { 3008}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD21))
2.300 0.700 0.700 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 1.039 ppm2 0.684 CV 1
OR { 3008}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD23))
OR { 3008}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD21))
OR { 3008}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD23))
OR { 3008}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HD22))
OR { 3008}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name HD21))
OR { 3008}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name HD23))
OR { 3008}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HD22))
ASSI { 3009}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 62 and name HD22))
3.600 1.700 1.700 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 1.039 ppm2 0.413 CV 1
OR { 3009}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 62 and name HD22))
OR { 3009}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 62 and name HD23))
OR { 3009}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 62 and name HD21))
OR { 3009}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 62 and name HD23))
OR { 3009}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 62 and name HD21))
OR { 3009}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 62 and name HD22))
OR { 3009}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 62 and name HD23))
ASSI { 3010}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 42 and name HD23))
4.000 2.000 2.000 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 1.039 ppm2 0.684 CV 1
OR { 3010}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 42 and name HD23))
OR { 3010}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 42 and name HD21))
OR { 3010}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 42 and name HD23))
OR { 3010}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 42 and name HD21))
OR { 3010}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 42 and name HD22))
OR { 3010}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 42 and name HD21))
OR { 3010}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 42 and name HD22))
ASSI { 3012}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 62 and name HD22))
4.000 2.000 2.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.89455E-03 ppm1 1.037 ppm2 0.418 CV 1
OR { 3012}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 62 and name HD23))
OR { 3012}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 62 and name HD21))
OR { 3012}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 62 and name HD22))
OR { 3012}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 62 and name HD23))
OR { 3012}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 62 and name HD22))
OR { 3012}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 62 and name HD23))
ASSI { 3016}
(( segid "B " and resid 38 and name HD13))
(( segid "C " and resid 1928 and name HB2 ))
4.500 2.500 1.500 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.81674E-03 ppm1 1.039 ppm2 3.088 CV 1
OR { 3016}
(( segid "B " and resid 38 and name HD12))
(( segid "C " and resid 1928 and name HB2 ))
OR { 3016}
(( segid "B " and resid 38 and name HD11))
(( segid "C " and resid 1928 and name HB2 ))
ASSI { 3038}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 37 and name HA ))
3.700 1.700 1.700 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.58483E-03 ppm1 1.140 ppm2 2.596 CV 1
ASSI { 3044}
(( segid "A " and resid 37 and name HD12))
( segid "A " and resid 19 and name HD% )
2.300 0.600 0.600 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.79205E-02 ppm1 0.908 ppm2 7.409 CV 1
OR { 3044}
(( segid "A " and resid 37 and name HD11))
( segid "A " and resid 19 and name HD% )
OR { 3044}
(( segid "A " and resid 37 and name HD13))
( segid "A " and resid 19 and name HD% )
ASSI { 3045}
(( segid "A " and resid 37 and name HD13))
( segid "A " and resid 75 and name HE% )
2.800 1.000 1.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.46799E-02 ppm1 0.909 ppm2 6.709 CV 1
OR { 3045}
(( segid "A " and resid 37 and name HD11))
( segid "A " and resid 75 and name HE% )
OR { 3045}
(( segid "A " and resid 37 and name HD12))
( segid "A " and resid 75 and name HE% )
ASSI { 3048}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 38 and name H ))
4.400 2.400 1.600 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.15011E-02 ppm1 0.908 ppm2 8.566 CV 1
OR { 3048}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 38 and name H ))
OR { 3048}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 38 and name H ))
ASSI { 3049}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 38 and name H ))
4.200 2.200 1.800 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.21175E-02 ppm1 0.914 ppm2 8.521 CV 1
OR { 3049}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 38 and name H ))
OR { 3049}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 38 and name H ))
ASSI { 3051}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 16 and name HA ))
2.500 0.800 0.800 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.47470E-02 ppm1 0.908 ppm2 3.582 CV 1
OR { 3051}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 16 and name HA ))
OR { 3051}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 16 and name HA ))
ASSI { 3060}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 37 and name HB3 ))
2.900 1.000 1.000 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.49227E-02 ppm1 0.914 ppm2 1.175 CV 1
OR { 3060}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 37 and name HB3 ))
OR { 3060}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 37 and name HB3 ))
ASSI { 3061}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 37 and name HB3 ))
2.900 1.000 1.000 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.47361E-02 ppm1 0.910 ppm2 1.137 CV 1
OR { 3061}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 37 and name HB3 ))
OR { 3061}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 3065}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 16 and name HA ))
2.500 0.800 0.800 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.50831E-02 ppm1 0.914 ppm2 3.610 CV 1
OR { 3065}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 16 and name HA ))
OR { 3065}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 16 and name HA ))
ASSI { 3069}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD11))
2.700 0.900 0.900 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.46602E-02 ppm1 0.917 ppm2 0.726 CV 1
OR { 3069}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD12))
OR { 3069}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 29 and name HD11))
OR { 3069}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 29 and name HD11))
OR { 3069}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 29 and name HD12))
OR { 3069}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 29 and name HD12))
OR { 3069}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD13))
ASSI { 3070}
(( segid "B " and resid 37 and name HD23))
(( segid "B " and resid 37 and name HB3 ))
2.400 0.700 0.700 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 0.855 ppm2 1.180 CV 1
OR { 3070}
(( segid "B " and resid 37 and name HD21))
(( segid "B " and resid 37 and name HB3 ))
OR { 3070}
(( segid "B " and resid 37 and name HD22))
(( segid "B " and resid 37 and name HB3 ))
ASSI { 3077}
(( segid "B " and resid 37 and name HD21))
(( segid "B " and resid 38 and name HA ))
3.000 1.100 1.100 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.48859E-02 ppm1 0.855 ppm2 3.860 CV 1
OR { 3077}
(( segid "B " and resid 37 and name HD23))
(( segid "B " and resid 38 and name HA ))
OR { 3077}
(( segid "B " and resid 37 and name HD22))
(( segid "B " and resid 38 and name HA ))
ASSI { 3079}
(( segid "B " and resid 37 and name HD23))
( segid "B " and resid 75 and name HE% )
2.700 0.900 0.900 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.43351E-02 ppm1 0.855 ppm2 6.654 CV 1
OR { 3079}
(( segid "B " and resid 37 and name HD22))
( segid "B " and resid 75 and name HE% )
OR { 3079}
(( segid "B " and resid 37 and name HD21))
( segid "B " and resid 75 and name HE% )
ASSI { 3082}
(( segid "B " and resid 37 and name HD21))
(( segid "B " and resid 38 and name H ))
2.900 1.100 1.100 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.51719E-02 ppm1 0.856 ppm2 8.520 CV 1
OR { 3082}
(( segid "B " and resid 37 and name HD23))
(( segid "B " and resid 38 and name H ))
OR { 3082}
(( segid "B " and resid 37 and name HD22))
(( segid "B " and resid 38 and name H ))
ASSI { 3085}
(( segid "B " and resid 37 and name HD13))
( segid "B " and resid 75 and name HE% )
2.800 1.000 1.000 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.39625E-02 ppm1 0.912 ppm2 6.662 CV 1
OR { 3085}
(( segid "B " and resid 37 and name HD11))
( segid "B " and resid 75 and name HE% )
OR { 3085}
(( segid "B " and resid 37 and name HD12))
( segid "B " and resid 75 and name HE% )
ASSI { 3086}
(( segid "B " and resid 37 and name HD12))
( segid "B " and resid 19 and name HD% )
2.300 0.700 0.700 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.72266E-02 ppm1 0.915 ppm2 7.424 CV 1
OR { 3086}
(( segid "B " and resid 37 and name HD11))
( segid "B " and resid 19 and name HD% )
OR { 3086}
(( segid "B " and resid 37 and name HD13))
( segid "B " and resid 19 and name HD% )
ASSI { 3089}
(( segid "B " and resid 37 and name HB3 ))
(( segid "B " and resid 37 and name H ))
3.000 1.100 1.100 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.13367E-02 ppm1 1.184 ppm2 7.946 CV 1
ASSI { 3090}
(( segid "B " and resid 37 and name HB3 ))
(( segid "B " and resid 37 and name HB2 ))
2.200 0.600 0.600 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 1.171 ppm2 1.671 CV 1
ASSI { 3091}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 39 and name HG23))
3.800 1.800 1.800 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.11241E-02 ppm1 3.881 ppm2 1.354 CV 1
OR { 3091}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 39 and name HG22))
OR { 3091}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 39 and name HG21))
ASSI { 3092}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 36 and name HB3 ))
2.500 0.800 0.800 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.53279E-02 ppm1 3.880 ppm2 2.210 CV 1
ASSI { 3095}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 35 and name HG2 ))
3.700 1.700 1.700 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.74500E-03 ppm1 3.885 ppm2 0.891 CV 1
OR { 3095}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 35 and name HG3 ))
ASSI { 3097}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 39 and name HB ))
4.100 2.100 1.900 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.15212E-02 ppm1 3.879 ppm2 4.243 CV 1
ASSI { 3098}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 37 and name H ))
3.100 1.200 1.200 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 3.880 ppm2 7.945 CV 1
ASSI { 3099}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 36 and name H ))
2.700 0.900 0.900 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 3.880 ppm2 7.846 CV 1
ASSI { 3102}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HG23))
4.700 2.700 1.300 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.75282E-03 ppm1 2.209 ppm2 1.358 CV 1
OR { 3102}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HG22))
OR { 3102}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 39 and name HG21))
OR { 3102}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 39 and name HG23))
OR { 3102}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 39 and name HG22))
ASSI { 3103}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 36 and name HA ))
2.500 0.800 0.800 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.47277E-02 ppm1 2.210 ppm2 3.875 CV 1
OR { 3103}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 36 and name HA ))
ASSI { 3104}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 33 and name HA ))
2.600 0.900 0.900 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.36958E-02 ppm1 2.204 ppm2 4.073 CV 1
OR { 3104}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 33 and name HA ))
ASSI { 3105}
(( segid "A " and resid 36 and name HB3 ))
( segid "A " and resid 19 and name HE% )
2.800 1.000 1.000 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.33729E-02 ppm1 2.204 ppm2 6.847 CV 1
OR { 3105}
(( segid "A " and resid 36 and name HB2 ))
( segid "A " and resid 19 and name HE% )
ASSI { 3106}
(( segid "A " and resid 36 and name HB3 ))
( segid "A " and resid 19 and name HD% )
2.400 0.700 0.700 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.36871E-02 ppm1 2.201 ppm2 7.415 CV 1
OR { 3106}
(( segid "A " and resid 36 and name HB2 ))
( segid "A " and resid 19 and name HD% )
ASSI { 3107}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 36 and name H ))
2.000 0.500 0.500 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.94573E-02 ppm1 2.205 ppm2 7.848 CV 1
OR { 3107}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 36 and name H ))
ASSI { 3108}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 37 and name H ))
2.500 0.800 0.800 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 2.205 ppm2 7.946 CV 1
OR { 3108}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 37 and name H ))
ASSI { 3109}
(( segid "A " and resid 36 and name HB3 ))
(( segid "A " and resid 38 and name H ))
4.600 2.700 1.400 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.60737E-03 ppm1 2.206 ppm2 8.545 CV 1
OR { 3109}
(( segid "A " and resid 36 and name HB2 ))
(( segid "A " and resid 38 and name H ))
ASSI { 3111}
(( segid "A " and resid 36 and name HG2 ))
(( segid "A " and resid 36 and name HA ))
2.700 0.900 0.900 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.32037E-02 ppm1 2.497 ppm2 3.866 CV 1
ASSI { 3112}
(( segid "B " and resid 88 and name HG3 ))
(( segid "B " and resid 88 and name HA ))
3.500 1.500 1.500 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.19623E-02 ppm1 2.497 ppm2 3.952 CV 1
ASSI { 3113}
(( segid "A " and resid 36 and name HG2 ))
(( segid "A " and resid 33 and name HA ))
4.200 2.200 1.800 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 2.497 ppm2 4.075 CV 1
ASSI { 3116}
(( segid "B " and resid 88 and name HG3 ))
(( segid "B " and resid 88 and name HB2 ))
2.600 0.800 0.800 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.36871E-02 ppm1 2.498 ppm2 2.027 CV 1
ASSI { 3118}
(( segid "B " and resid 88 and name HG3 ))
(( segid "B " and resid 88 and name HB3 ))
3.200 1.300 1.300 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.27485E-02 ppm1 2.493 ppm2 1.892 CV 1
ASSI { 3124}
(( segid "B " and resid 88 and name HG3 ))
(( segid "B " and resid 88 and name H ))
2.700 0.900 0.900 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.27659E-02 ppm1 2.494 ppm2 7.698 CV 1
ASSI { 3125}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 36 and name H ))
3.500 1.500 1.500 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.20425E-02 ppm1 2.450 ppm2 7.844 CV 1
ASSI { 3126}
(( segid "B " and resid 36 and name HG3 ))
(( segid "B " and resid 36 and name H ))
3.400 1.400 1.400 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.25925E-02 ppm1 2.425 ppm2 7.850 CV 1
ASSI { 3129}
(( segid "B " and resid 36 and name HG3 ))
( segid "B " and resid 19 and name HE% )
3.800 1.800 1.800 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 2.423 ppm2 6.851 CV 1
ASSI { 3130}
(( segid "A " and resid 36 and name HG3 ))
( segid "A " and resid 19 and name HE% )
3.900 1.900 1.900 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.23930E-02 ppm1 2.452 ppm2 6.841 CV 1
ASSI { 3131}
(( segid "A " and resid 36 and name HG3 ))
( segid "A " and resid 19 and name HD% )
4.800 2.900 1.200 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 2.447 ppm2 7.403 CV 1
ASSI { 3133}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 40 and name HD3 ))
4.000 2.000 2.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.14935E-02 ppm1 2.449 ppm2 3.407 CV 1
OR { 3133}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 40 and name HD2 ))
ASSI { 3134}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 36 and name HA ))
2.700 0.900 0.900 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.26098E-02 ppm1 2.446 ppm2 3.884 CV 1
ASSI { 3135}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 36 and name HB2 ))
2.400 0.700 0.700 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.67326E-02 ppm1 2.447 ppm2 2.214 CV 1
OR { 3135}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 36 and name HB3 ))
ASSI { 3136}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 40 and name HG3 ))
4.200 2.200 1.800 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.14354E-02 ppm1 2.453 ppm2 2.008 CV 1
OR { 3136}
(( segid "A " and resid 36 and name HG3 ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 3141}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 39 and name HB ))
4.300 2.400 1.700 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 3.831 ppm2 4.232 CV 1
ASSI { 3142}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.46973E-02 ppm1 3.832 ppm2 2.193 CV 1
OR { 3142}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 36 and name HB3 ))
ASSI { 3143}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 36 and name HG2 ))
3.000 1.100 1.100 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.18795E-02 ppm1 3.830 ppm2 2.504 CV 1
ASSI { 3146}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 36 and name H ))
2.100 0.600 0.600 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.73677E-02 ppm1 2.192 ppm2 7.850 CV 1
OR { 3146}
(( segid "B " and resid 36 and name HB3 ))
(( segid "B " and resid 36 and name H ))
ASSI { 3147}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 37 and name H ))
2.700 0.900 0.900 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.48510E-02 ppm1 2.194 ppm2 7.947 CV 1
ASSI { 3148}
(( segid "B " and resid 36 and name HB3 ))
( segid "B " and resid 19 and name HE% )
2.800 1.000 1.000 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.27247E-02 ppm1 2.189 ppm2 6.851 CV 1
OR { 3148}
(( segid "B " and resid 36 and name HB2 ))
( segid "B " and resid 19 and name HE% )
ASSI { 3150}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 33 and name HA ))
2.800 1.000 1.000 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.27377E-02 ppm1 2.187 ppm2 4.069 CV 1
OR { 3150}
(( segid "B " and resid 36 and name HB3 ))
(( segid "B " and resid 33 and name HA ))
ASSI { 3151}
(( segid "B " and resid 36 and name HB3 ))
(( segid "B " and resid 15 and name HG22))
5.600 3.900 0.400 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 2.182 ppm2 1.522 CV 1
OR { 3151}
(( segid "B " and resid 36 and name HB3 ))
(( segid "B " and resid 15 and name HG23))
OR { 3151}
(( segid "B " and resid 36 and name HB3 ))
(( segid "B " and resid 15 and name HG21))
OR { 3151}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 15 and name HG22))
OR { 3151}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 3152}
(( segid "B " and resid 36 and name HG3 ))
(( segid "B " and resid 40 and name HD3 ))
3.800 1.800 1.800 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 2.421 ppm2 3.394 CV 1
OR { 3152}
(( segid "B " and resid 36 and name HG3 ))
(( segid "B " and resid 40 and name HD2 ))
ASSI { 3153}
(( segid "B " and resid 36 and name HG3 ))
(( segid "B " and resid 36 and name HA ))
2.800 0.900 0.900 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 2.415 ppm2 3.833 CV 1
ASSI { 3159}
(( segid "A " and resid 35 and name HA ))
( segid "A " and resid 55 and name HE% )
3.200 1.300 1.300 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 3.453 ppm2 7.221 CV 1
OR { 3159}
(( segid "A " and resid 35 and name HA ))
( segid "A " and resid 55 and name HD% )
ASSI { 3160}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 38 and name H ))
3.500 1.600 1.600 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.64485E-03 ppm1 3.446 ppm2 8.555 CV 1
ASSI { 3162}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HG3 ))
2.600 0.800 0.800 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.17822E-02 ppm1 3.448 ppm2 0.870 CV 1
ASSI { 3163}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 38 and name HB2 ))
3.000 1.100 1.100 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.13255E-02 ppm1 3.452 ppm2 1.900 CV 1
ASSI { 3164}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HB2 ))
2.700 0.900 0.900 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 3.454 ppm2 1.784 CV 1
ASSI { 3165}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 38 and name HB3 ))
4.700 2.800 1.300 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.59478E-03 ppm1 3.447 ppm2 1.670 CV 1
ASSI { 3166}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HB3 ))
3.100 1.200 1.200 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.30151E-02 ppm1 3.451 ppm2 1.379 CV 1
OR { 3166}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HD3 ))
OR { 3166}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HD2 ))
ASSI { 3167}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HE3 ))
5.200 3.300 0.800 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.53301E-03 ppm1 3.449 ppm2 2.765 CV 1
OR { 3167}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 35 and name HE2 ))
ASSI { 3168}
(( segid "A " and resid 35 and name HB2 ))
(( segid "A " and resid 35 and name HG3 ))
2.900 1.000 1.000 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 1.783 ppm2 0.874 CV 1
ASSI { 3169}
(( segid "A " and resid 35 and name HB2 ))
(( segid "A " and resid 35 and name HB3 ))
1.900 0.500 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.54125E-02 ppm1 1.785 ppm2 1.382 CV 1
OR { 3169}
(( segid "A " and resid 35 and name HB2 ))
(( segid "A " and resid 35 and name HD3 ))
OR { 3169}
(( segid "A " and resid 35 and name HB2 ))
(( segid "A " and resid 35 and name HD2 ))
ASSI { 3176}
(( segid "A " and resid 35 and name HB3 ))
(( segid "A " and resid 35 and name HG3 ))
3.300 1.400 1.400 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 1.375 ppm2 0.877 CV 1
ASSI { 3177}
(( segid "A " and resid 35 and name HB3 ))
(( segid "A " and resid 35 and name HB2 ))
1.900 0.500 0.500 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.36393E-02 ppm1 1.380 ppm2 1.782 CV 1
ASSI { 3178}
(( segid "A " and resid 35 and name HB3 ))
(( segid "A " and resid 35 and name HA ))
3.200 1.300 1.300 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.14761E-02 ppm1 1.379 ppm2 3.452 CV 1
ASSI { 3179}
(( segid "A " and resid 35 and name HB3 ))
(( segid "A " and resid 35 and name H ))
2.900 1.000 1.000 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.20844E-02 ppm1 1.382 ppm2 7.972 CV 1
ASSI { 3181}
(( segid "A " and resid 35 and name HB3 ))
( segid "A " and resid 55 and name HE% )
5.000 3.100 1.000 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.45323E-03 ppm1 1.380 ppm2 7.210 CV 1
OR { 3181}
(( segid "A " and resid 35 and name HB3 ))
( segid "A " and resid 55 and name HD% )
ASSI { 3182}
(( segid "A " and resid 35 and name HB3 ))
(( segid "A " and resid 32 and name HA ))
3.400 1.400 1.400 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.76993E-03 ppm1 1.386 ppm2 4.153 CV 1
ASSI { 3183}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HB3 ))
2.300 0.700 0.700 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.60172E-02 ppm1 0.902 ppm2 1.379 CV 1
OR { 3183}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HD2 ))
OR { 3183}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HD3 ))
ASSI { 3184}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HB2 ))
3.300 1.300 1.300 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 0.904 ppm2 1.780 CV 1
ASSI { 3185}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HE2 ))
2.900 1.100 1.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.17369E-02 ppm1 0.900 ppm2 2.766 CV 1
OR { 3185}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HE3 ))
ASSI { 3186}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name HA ))
3.500 1.500 1.500 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.13157E-02 ppm1 0.900 ppm2 3.449 CV 1
ASSI { 3187}
(( segid "A " and resid 35 and name HG3 ))
( segid "A " and resid 55 and name HE% )
3.100 1.200 1.200 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 0.898 ppm2 7.217 CV 1
OR { 3187}
(( segid "A " and resid 35 and name HG3 ))
( segid "A " and resid 55 and name HD% )
OR { 3187}
(( segid "A " and resid 35 and name HG2 ))
( segid "A " and resid 55 and name HE% )
ASSI { 3188}
(( segid "A " and resid 35 and name HG3 ))
(( segid "A " and resid 35 and name H ))
4.400 2.400 1.600 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 0.898 ppm2 7.965 CV 1
OR { 3188}
(( segid "A " and resid 35 and name HG2 ))
(( segid "A " and resid 35 and name H ))
ASSI { 3189}
(( segid "A " and resid 35 and name HD3 ))
(( segid "A " and resid 32 and name HA ))
3.200 1.300 1.300 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 1.388 ppm2 4.165 CV 1
OR { 3189}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 32 and name HA ))
ASSI { 3190}
(( segid "A " and resid 35 and name HD3 ))
(( segid "A " and resid 35 and name HA ))
4.200 2.200 1.800 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 1.392 ppm2 3.455 CV 1
OR { 3190}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 35 and name HA ))
ASSI { 3192}
(( segid "A " and resid 35 and name HD3 ))
(( segid "A " and resid 35 and name HE2 ))
2.300 0.700 0.700 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.72657E-02 ppm1 1.388 ppm2 2.762 CV 1
OR { 3192}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 35 and name HE2 ))
ASSI { 3194}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 35 and name HG3 ))
2.200 0.600 0.600 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.63620E-02 ppm1 1.387 ppm2 0.879 CV 1
OR { 3194}
(( segid "A " and resid 35 and name HD3 ))
(( segid "A " and resid 35 and name HG3 ))
ASSI { 3195}
(( segid "A " and resid 35 and name HD3 ))
(( segid "A " and resid 35 and name H ))
4.600 2.700 1.400 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.11259E-02 ppm1 1.385 ppm2 7.969 CV 1
OR { 3195}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 35 and name H ))
ASSI { 3196}
(( segid "A " and resid 35 and name HD2 ))
(( segid "A " and resid 36 and name H ))
4.400 2.400 1.600 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.68908E-03 ppm1 1.389 ppm2 7.847 CV 1
ASSI { 3197}
(( segid "A " and resid 35 and name HD2 ))
( segid "A " and resid 55 and name HE% )
3.100 1.200 1.200 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 1.387 ppm2 7.219 CV 1
OR { 3197}
(( segid "A " and resid 35 and name HD2 ))
( segid "A " and resid 55 and name HD% )
OR { 3197}
(( segid "A " and resid 35 and name HD3 ))
( segid "A " and resid 55 and name HE% )
ASSI { 3198}
(( segid "A " and resid 35 and name HE3 ))
( segid "A " and resid 55 and name HE% )
3.000 3.000 3.000 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.30780E-02 ppm1 2.765 ppm2 7.218 CV 1
OR { 3198}
(( segid "A " and resid 35 and name HE3 ))
( segid "A " and resid 55 and name HD% )
ASSI { 3199}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name H ))
4.300 2.300 1.700 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.82672E-03 ppm1 2.766 ppm2 7.967 CV 1
ASSI { 3200}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 32 and name HA ))
3.400 1.400 1.400 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.15208E-02 ppm1 2.764 ppm2 4.158 CV 1
OR { 3200}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 32 and name HA ))
ASSI { 3202}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 51 and name HA ))
3.500 1.500 1.500 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.59523E-03 ppm1 2.767 ppm2 4.755 CV 1
ASSI { 3203}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 50 and name HB ))
3.400 3.400 2.600 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.13175E-02 ppm1 2.761 ppm2 4.485 CV 1
ASSI { 3204}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 35 and name HG2 ))
2.600 0.800 0.800 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.55274E-02 ppm1 2.764 ppm2 0.878 CV 1
OR { 3204}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name HG2 ))
OR { 3204}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name HG3 ))
OR { 3204}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 35 and name HG3 ))
ASSI { 3205}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 35 and name HD3 ))
2.100 0.600 0.600 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.14187E-01 ppm1 2.763 ppm2 1.383 CV 1
OR { 3205}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name HD2 ))
OR { 3205}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 35 and name HD2 ))
OR { 3205}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name HD3 ))
ASSI { 3206}
(( segid "A " and resid 35 and name HE2 ))
(( segid "A " and resid 35 and name HB2 ))
3.600 1.600 1.600 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 2.763 ppm2 1.781 CV 1
OR { 3206}
(( segid "A " and resid 35 and name HE3 ))
(( segid "A " and resid 35 and name HB2 ))
ASSI { 3208}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 35 and name HG3 ))
2.800 1.000 1.000 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.13610E-02 ppm1 3.544 ppm2 0.777 CV 1
OR { 3208}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 35 and name HG2 ))
ASSI { 3209}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 38 and name HD12))
3.400 1.400 1.400 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 3.539 ppm2 1.038 CV 1
OR { 3209}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 38 and name HD13))
OR { 3209}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 38 and name HD11))
OR { 3209}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 38 and name HD23))
ASSI { 3210}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 35 and name HB3 ))
3.000 1.200 1.200 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 3.542 ppm2 1.268 CV 1
ASSI { 3211}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.22239E-02 ppm1 3.542 ppm2 1.719 CV 1
ASSI { 3213}
(( segid "B " and resid 35 and name HA ))
( segid "B " and resid 55 and name HE% )
2.700 0.900 0.900 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 3.543 ppm2 7.245 CV 1
ASSI { 3222}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 35 and name HB3 ))
1.900 0.500 0.500 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.30411E-02 ppm1 1.724 ppm2 1.269 CV 1
ASSI { 3230}
(( segid "B " and resid 35 and name HB3 ))
(( segid "B " and resid 35 and name HG2 ))
3.100 1.200 1.200 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.78271E-03 ppm1 1.274 ppm2 0.774 CV 1
OR { 3230}
(( segid "B " and resid 35 and name HB3 ))
(( segid "B " and resid 35 and name HG3 ))
ASSI { 3232}
(( segid "B " and resid 35 and name HG3 ))
(( segid "B " and resid 35 and name HB2 ))
3.000 1.100 1.100 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.14714E-02 ppm1 0.780 ppm2 1.719 CV 1
OR { 3232}
(( segid "B " and resid 35 and name HG2 ))
(( segid "B " and resid 35 and name HB2 ))
ASSI { 3236}
(( segid "B " and resid 35 and name HD2 ))
(( segid "B " and resid 35 and name HA ))
4.900 3.000 1.100 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.52197E-03 ppm1 1.334 ppm2 3.553 CV 1
ASSI { 3239}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 35 and name HE3 ))
2.700 0.900 0.900 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.33729E-02 ppm1 1.220 ppm2 2.664 CV 1
ASSI { 3240}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 35 and name HA ))
4.700 2.800 1.300 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.51742E-03 ppm1 1.208 ppm2 3.539 CV 1
ASSI { 3241}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 32 and name HA ))
3.700 1.700 1.700 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.52933E-03 ppm1 1.212 ppm2 4.151 CV 1
ASSI { 3242}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 35 and name HB2 ))
2.600 0.800 0.800 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.13641E-02 ppm1 1.218 ppm2 1.718 CV 1
ASSI { 3243}
(( segid "B " and resid 35 and name HD2 ))
(( segid "B " and resid 35 and name HG3 ))
2.600 0.800 0.800 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.21086E-02 ppm1 1.334 ppm2 0.778 CV 1
OR { 3243}
(( segid "B " and resid 35 and name HD2 ))
(( segid "B " and resid 35 and name HG2 ))
ASSI { 3244}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 35 and name HG3 ))
3.000 1.100 1.100 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.18165E-02 ppm1 1.223 ppm2 0.778 CV 1
OR { 3244}
(( segid "B " and resid 35 and name HD3 ))
(( segid "B " and resid 35 and name HG2 ))
ASSI { 3247}
(( segid "B " and resid 35 and name HD2 ))
(( segid "B " and resid 35 and name HD3 ))
1.500 0.300 0.700 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.14679E-01 ppm1 1.333 ppm2 1.221 CV 1
ASSI { 3249}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HA ))
4.200 2.200 1.800 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.83408E-03 ppm1 2.671 ppm2 3.547 CV 1
ASSI { 3250}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 32 and name HA ))
3.800 1.800 1.800 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.72896E-03 ppm1 2.661 ppm2 4.144 CV 1
OR { 3250}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 32 and name HA ))
ASSI { 3251}
(( segid "B " and resid 35 and name HE3 ))
( segid "B " and resid 55 and name HE% )
3.700 1.700 1.700 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 2.667 ppm2 7.249 CV 1
ASSI { 3252}
(( segid "B " and resid 35 and name HE3 ))
( segid "B " and resid 55 and name HD% )
3.600 1.700 1.700 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.99190E-03 ppm1 2.659 ppm2 7.193 CV 1
ASSI { 3254}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 35 and name HB2 ))
3.800 1.800 1.800 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 2.665 ppm2 1.720 CV 1
OR { 3254}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HB2 ))
ASSI { 3256}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HD2 ))
2.400 0.700 0.700 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.63120E-02 ppm1 2.664 ppm2 1.336 CV 1
OR { 3256}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 35 and name HD2 ))
ASSI { 3257}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 35 and name HD3 ))
2.400 0.700 0.700 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.53453E-02 ppm1 2.666 ppm2 1.222 CV 1
OR { 3257}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HD3 ))
ASSI { 3261}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 35 and name HG2 ))
2.800 1.000 1.000 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.29891E-02 ppm1 2.664 ppm2 0.777 CV 1
OR { 3261}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HG2 ))
OR { 3261}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HG3 ))
OR { 3261}
(( segid "B " and resid 35 and name HE2 ))
(( segid "B " and resid 35 and name HG3 ))
ASSI { 3263}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name H ))
2.700 0.900 0.900 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 3.967 ppm2 8.927 CV 1
ASSI { 3264}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 37 and name H ))
3.200 1.300 1.300 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.10821E-02 ppm1 3.962 ppm2 7.947 CV 1
ASSI { 3265}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HD21))
2.500 0.800 0.800 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.42440E-02 ppm1 3.957 ppm2 0.770 CV 1
OR { 3265}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HD22))
OR { 3265}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HD23))
OR { 3265}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HD11))
ASSI { 3266}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HB3 ))
3.000 1.100 1.100 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.10587E-02 ppm1 3.964 ppm2 1.392 CV 1
ASSI { 3267}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HG ))
3.100 1.200 1.200 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.91644E-03 ppm1 3.962 ppm2 1.540 CV 1
ASSI { 3268}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 37 and name HB2 ))
3.300 1.400 1.400 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.74694E-03 ppm1 3.957 ppm2 1.668 CV 1
ASSI { 3270}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 29 and name HD23))
3.300 1.300 1.300 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.82369E-03 ppm1 3.962 ppm2 0.289 CV 1
OR { 3270}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 29 and name HD22))
OR { 3270}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 29 and name HD21))
ASSI { 3271}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HD11))
3.100 1.200 1.200 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.19070E-02 ppm1 2.034 ppm2 0.780 CV 1
OR { 3271}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HD12))
OR { 3271}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HD13))
OR { 3271}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HD21))
OR { 3271}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HD23))
ASSI { 3272}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 34 and name HB3 ))
2.200 0.600 0.600 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.10487E-02 ppm1 2.029 ppm2 1.386 CV 1
ASSI { 3275}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HD23))
2.800 1.000 1.000 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.19729E-02 ppm1 1.383 ppm2 0.780 CV 1
OR { 3275}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HD21))
OR { 3275}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HD12))
OR { 3275}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HD11))
OR { 3275}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 34 and name HD13))
ASSI { 3280}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HD22))
2.300 0.700 0.700 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.45930E-02 ppm1 1.544 ppm2 0.777 CV 1
OR { 3280}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HD11))
OR { 3280}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HD21))
OR { 3280}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HD12))
OR { 3280}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HD23))
ASSI { 3282}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HB3 ))
3.200 1.300 1.300 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 1.543 ppm2 1.386 CV 1
ASSI { 3283}
(( segid "A " and resid 34 and name HG ))
(( segid "A " and resid 34 and name HB2 ))
2.700 0.900 0.900 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.10636E-02 ppm1 1.544 ppm2 2.027 CV 1
ASSI { 3284}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 31 and name HA ))
3.100 1.200 1.200 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.25989E-02 ppm1 0.788 ppm2 4.040 CV 1
OR { 3284}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 31 and name HA ))
OR { 3284}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 31 and name HA ))
ASSI { 3285}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 34 and name HA ))
3.600 1.700 1.700 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.24039E-02 ppm1 0.788 ppm2 3.959 CV 1
OR { 3285}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 34 and name HA ))
OR { 3285}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 34 and name HA ))
ASSI { 3287}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 59 and name HG2 ))
3.700 1.700 1.700 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.18130E-02 ppm1 0.790 ppm2 2.531 CV 1
OR { 3287}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 59 and name HG2 ))
OR { 3287}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 59 and name HG2 ))
ASSI { 3288}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 59 and name HG3 ))
3.500 1.500 1.500 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.17514E-02 ppm1 0.789 ppm2 2.432 CV 1
OR { 3288}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 59 and name HG3 ))
OR { 3288}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 59 and name HG3 ))
ASSI { 3289}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 34 and name H ))
3.600 1.600 1.600 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 0.789 ppm2 8.931 CV 1
OR { 3289}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 34 and name H ))
OR { 3289}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 34 and name H ))
ASSI { 3291}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 35 and name H ))
3.600 1.600 1.600 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.31885E-02 ppm1 0.790 ppm2 7.966 CV 1
OR { 3291}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 35 and name H ))
OR { 3291}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 35 and name H ))
ASSI { 3292}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 60 and name H ))
4.600 2.600 1.400 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.50073E-03 ppm1 0.792 ppm2 8.084 CV 1
OR { 3292}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 60 and name H ))
OR { 3292}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 60 and name H ))
ASSI { 3293}
(( segid "A " and resid 34 and name HD12))
( segid "A " and resid 55 and name HD% )
3.000 1.100 1.100 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.39124E-02 ppm1 0.788 ppm2 7.219 CV 1
OR { 3293}
(( segid "A " and resid 34 and name HD12))
( segid "A " and resid 55 and name HE% )
OR { 3293}
(( segid "A " and resid 34 and name HD11))
( segid "A " and resid 55 and name HD% )
OR { 3293}
(( segid "A " and resid 34 and name HD11))
( segid "A " and resid 55 and name HE% )
OR { 3293}
(( segid "A " and resid 34 and name HD13))
( segid "A " and resid 55 and name HE% )
ASSI { 3294}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.55555E-02 ppm1 0.789 ppm2 2.036 CV 1
OR { 3294}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 34 and name HB2 ))
OR { 3294}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 3295}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 59 and name HE1 ))
2.400 0.700 0.700 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.82649E-02 ppm1 0.788 ppm2 1.901 CV 1
OR { 3295}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 59 and name HE1 ))
OR { 3295}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 59 and name HE3 ))
OR { 3295}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 59 and name HE1 ))
OR { 3295}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 59 and name HE3 ))
OR { 3295}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 59 and name HE3 ))
OR { 3295}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 59 and name HE2 ))
OR { 3295}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 59 and name HE2 ))
ASSI { 3298}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 62 and name HD22))
2.400 0.700 0.700 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.63859E-02 ppm1 0.790 ppm2 0.288 CV 1
OR { 3298}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 62 and name HD22))
OR { 3298}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 62 and name HD21))
OR { 3298}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 62 and name HD22))
OR { 3298}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 62 and name HD23))
OR { 3298}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 62 and name HD21))
OR { 3298}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 62 and name HD21))
OR { 3298}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 62 and name HD23))
ASSI { 3299}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 34 and name HG ))
2.000 0.500 0.500 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.97240E-02 ppm1 0.789 ppm2 1.544 CV 1
OR { 3299}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 34 and name HG ))
OR { 3299}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 34 and name HG ))
ASSI { 3300}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 70 and name HG11))
3.600 1.600 1.600 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.20339E-02 ppm1 0.789 ppm2 1.189 CV 1
OR { 3300}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 70 and name HG12))
OR { 3300}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 70 and name HG11))
OR { 3300}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 70 and name HG11))
OR { 3300}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 70 and name HG13))
OR { 3300}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 70 and name HG12))
OR { 3300}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 70 and name HG13))
OR { 3300}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 70 and name HG12))
OR { 3300}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 70 and name HG13))
ASSI { 3303}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 38 and name HD11))
2.700 0.900 0.900 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.36761E-02 ppm1 0.767 ppm2 1.003 CV 1
OR { 3303}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 38 and name HD11))
OR { 3303}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 38 and name HD12))
OR { 3303}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 38 and name HD13))
OR { 3303}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 38 and name HD12))
OR { 3303}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 38 and name HD13))
OR { 3303}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 38 and name HD11))
OR { 3303}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 38 and name HD12))
ASSI { 3308}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.35938E-02 ppm1 0.768 ppm2 2.032 CV 1
OR { 3308}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 34 and name HB2 ))
OR { 3308}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 3311}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 37 and name HB2 ))
3.600 1.600 1.600 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.16894E-02 ppm1 0.767 ppm2 1.690 CV 1
OR { 3311}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 37 and name HB2 ))
OR { 3311}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 3312}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 34 and name HG ))
2.000 0.500 0.500 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.10190E-01 ppm1 0.768 ppm2 1.541 CV 1
OR { 3312}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 34 and name HG ))
OR { 3312}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 34 and name HG ))
ASSI { 3313}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.53343E-02 ppm1 0.768 ppm2 1.385 CV 1
OR { 3313}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 34 and name HB3 ))
OR { 3313}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 3317}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 31 and name HA ))
4.400 2.400 1.600 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 0.768 ppm2 4.027 CV 1
OR { 3317}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 31 and name HA ))
OR { 3317}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 31 and name HA ))
ASSI { 3318}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 34 and name HA ))
2.200 0.600 0.600 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.92122E-02 ppm1 0.769 ppm2 3.958 CV 1
OR { 3318}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 34 and name HA ))
OR { 3318}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 34 and name HA ))
ASSI { 3319}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 29 and name H ))
4.700 2.800 1.300 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.49701E-03 ppm1 0.775 ppm2 9.639 CV 1
OR { 3319}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 29 and name H ))
OR { 3319}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 29 and name H ))
ASSI { 3320}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 34 and name H ))
3.600 1.600 1.600 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.30975E-02 ppm1 0.769 ppm2 8.931 CV 1
OR { 3320}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 34 and name H ))
OR { 3320}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 34 and name H ))
ASSI { 3321}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 33 and name H ))
5.000 3.100 1.000 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.47296E-03 ppm1 0.768 ppm2 8.683 CV 1
OR { 3321}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 33 and name H ))
ASSI { 3322}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 38 and name H ))
3.600 1.600 1.600 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.14766E-02 ppm1 0.768 ppm2 8.564 CV 1
OR { 3322}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 38 and name H ))
OR { 3322}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 38 and name H ))
ASSI { 3324}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 35 and name H ))
3.700 1.800 1.800 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.22413E-02 ppm1 0.768 ppm2 7.960 CV 1
OR { 3324}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 35 and name H ))
OR { 3324}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 35 and name H ))
ASSI { 3326}
(( segid "A " and resid 34 and name HD23))
( segid "A " and resid 55 and name HE% )
3.900 1.900 1.900 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 0.768 ppm2 7.219 CV 1
OR { 3326}
(( segid "A " and resid 34 and name HD21))
( segid "A " and resid 55 and name HE% )
OR { 3326}
(( segid "A " and resid 34 and name HD22))
( segid "A " and resid 55 and name HE% )
OR { 3326}
(( segid "A " and resid 34 and name HD23))
( segid "A " and resid 55 and name HD% )
ASSI { 3327}
(( segid "A " and resid 34 and name HD22))
( segid "A " and resid 78 and name HD% )
3.300 1.400 1.400 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.12670E-02 ppm1 0.769 ppm2 7.114 CV 1
OR { 3327}
(( segid "A " and resid 34 and name HD23))
( segid "A " and resid 78 and name HD% )
OR { 3327}
(( segid "A " and resid 34 and name HD21))
( segid "A " and resid 78 and name HD% )
ASSI { 3329}
(( segid "A " and resid 34 and name HD22))
( segid "A " and resid 75 and name HD% )
3.800 1.800 1.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.83321E-03 ppm1 0.770 ppm2 6.928 CV 1
OR { 3329}
(( segid "A " and resid 34 and name HD21))
( segid "A " and resid 75 and name HD% )
OR { 3329}
(( segid "A " and resid 34 and name HD23))
( segid "A " and resid 75 and name HD% )
ASSI { 3331}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 37 and name H ))
3.300 1.300 1.300 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 3.984 ppm2 7.951 CV 1
ASSI { 3332}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 29 and name HD23))
3.200 1.300 1.300 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.85749E-03 ppm1 3.986 ppm2 0.274 CV 1
OR { 3332}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 29 and name HD22))
OR { 3332}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 29 and name HD21))
ASSI { 3335}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HG ))
2.900 1.000 1.000 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 3.984 ppm2 1.649 CV 1
ASSI { 3342}
(( segid "B " and resid 34 and name HG ))
(( segid "B " and resid 75 and name HB2 ))
3.000 3.000 3.000 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.54037E-02 ppm1 1.640 ppm2 3.312 CV 1
ASSI { 3343}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 31 and name HA ))
3.300 1.300 1.300 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 0.912 ppm2 4.085 CV 1
OR { 3343}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 31 and name HA ))
OR { 3343}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 31 and name HA ))
ASSI { 3344}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 34 and name HA ))
3.700 1.700 1.700 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.20913E-02 ppm1 0.912 ppm2 3.990 CV 1
OR { 3344}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 34 and name HA ))
OR { 3344}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 34 and name HA ))
ASSI { 3345}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HA ))
3.000 1.200 1.200 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 0.913 ppm2 3.929 CV 1
OR { 3345}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name HA ))
OR { 3345}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name HA ))
ASSI { 3348}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HG3 ))
4.100 2.100 1.900 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.13730E-02 ppm1 0.914 ppm2 2.453 CV 1
OR { 3348}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name HG3 ))
OR { 3348}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name HG3 ))
ASSI { 3349}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 70 and name HB ))
3.100 1.200 1.200 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.19961E-02 ppm1 0.910 ppm2 2.252 CV 1
OR { 3349}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 70 and name HB ))
OR { 3349}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 70 and name HB ))
ASSI { 3350}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.45520E-02 ppm1 0.912 ppm2 2.111 CV 1
OR { 3350}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 34 and name HB2 ))
OR { 3350}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 34 and name HB2 ))
ASSI { 3351}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HE1 ))
2.500 0.800 0.800 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.51674E-02 ppm1 0.912 ppm2 1.967 CV 1
OR { 3351}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name HE1 ))
OR { 3351}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name HE1 ))
OR { 3351}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HE3 ))
OR { 3351}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HE2 ))
OR { 3351}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name HE3 ))
OR { 3351}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name HE3 ))
ASSI { 3352}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 34 and name HG ))
2.100 0.600 0.600 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.74003E-02 ppm1 0.912 ppm2 1.642 CV 1
OR { 3352}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 34 and name HG ))
OR { 3352}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 34 and name HG ))
ASSI { 3353}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.47015E-02 ppm1 0.912 ppm2 1.442 CV 1
OR { 3353}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 34 and name HB3 ))
OR { 3353}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 34 and name HB3 ))
ASSI { 3354}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 70 and name HG13))
3.500 1.500 1.500 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 0.911 ppm2 1.203 CV 1
OR { 3354}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 70 and name HG12))
OR { 3354}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 70 and name HG11))
OR { 3354}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 70 and name HG13))
OR { 3354}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 70 and name HG13))
OR { 3354}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 70 and name HG12))
OR { 3354}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 70 and name HG11))
OR { 3354}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 70 and name HG12))
ASSI { 3355}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD22))
2.600 0.900 0.900 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.53908E-02 ppm1 0.912 ppm2 0.412 CV 1
OR { 3355}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD22))
OR { 3355}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD21))
OR { 3355}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 62 and name HD22))
OR { 3355}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD21))
OR { 3355}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 62 and name HD21))
OR { 3355}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD23))
OR { 3355}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD23))
ASSI { 3356}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD13))
3.800 1.800 1.800 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.16053E-02 ppm1 0.913 ppm2 0.555 CV 1
OR { 3356}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD13))
OR { 3356}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 62 and name HD13))
OR { 3356}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD11))
OR { 3356}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD11))
OR { 3356}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 62 and name HD11))
OR { 3356}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 62 and name HD12))
OR { 3356}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 62 and name HD12))
ASSI { 3358}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 35 and name H ))
3.900 1.900 1.900 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.20969E-02 ppm1 0.912 ppm2 8.025 CV 1
OR { 3358}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 35 and name H ))
OR { 3358}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 35 and name H ))
ASSI { 3359}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name H ))
3.700 1.700 1.700 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.14094E-02 ppm1 0.911 ppm2 8.266 CV 1
OR { 3359}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name H ))
OR { 3359}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name H ))
ASSI { 3360}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 34 and name H ))
3.700 1.700 1.700 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.22174E-02 ppm1 0.911 ppm2 8.923 CV 1
OR { 3360}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 34 and name H ))
OR { 3360}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 34 and name H ))
ASSI { 3361}
(( segid "B " and resid 34 and name HD11))
( segid "B " and resid 55 and name HE% )
3.200 1.300 1.300 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.16480E-02 ppm1 0.915 ppm2 7.260 CV 1
OR { 3361}
(( segid "B " and resid 34 and name HD12))
( segid "B " and resid 55 and name HE% )
OR { 3361}
(( segid "B " and resid 34 and name HD13))
( segid "B " and resid 55 and name HE% )
ASSI { 3362}
(( segid "B " and resid 34 and name HD11))
( segid "B " and resid 55 and name HD% )
4.000 2.000 2.000 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.11096E-02 ppm1 0.913 ppm2 7.178 CV 1
OR { 3362}
(( segid "B " and resid 34 and name HD12))
( segid "B " and resid 55 and name HD% )
OR { 3362}
(( segid "B " and resid 34 and name HD13))
( segid "B " and resid 55 and name HD% )
ASSI { 3363}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 34 and name H ))
3.800 1.800 1.800 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.22868E-02 ppm1 0.851 ppm2 8.920 CV 1
OR { 3363}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 34 and name H ))
OR { 3363}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 34 and name H ))
ASSI { 3364}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 35 and name H ))
4.100 2.100 1.900 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.14629E-02 ppm1 0.854 ppm2 8.024 CV 1
OR { 3364}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 35 and name H ))
OR { 3364}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 35 and name H ))
ASSI { 3366}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name H ))
3.600 1.700 1.700 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.13391E-02 ppm1 0.853 ppm2 8.523 CV 1
OR { 3366}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name H ))
OR { 3366}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name H ))
ASSI { 3367}
(( segid "B " and resid 34 and name HD23))
( segid "B " and resid 55 and name HE% )
4.700 2.800 1.300 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.87441E-03 ppm1 0.854 ppm2 7.249 CV 1
OR { 3367}
(( segid "B " and resid 34 and name HD21))
( segid "B " and resid 55 and name HE% )
OR { 3367}
(( segid "B " and resid 34 and name HD22))
( segid "B " and resid 55 and name HE% )
ASSI { 3368}
(( segid "B " and resid 34 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
4.600 2.600 1.400 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.58047E-03 ppm1 0.853 ppm2 7.199 CV 1
OR { 3368}
(( segid "B " and resid 34 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
OR { 3368}
(( segid "B " and resid 34 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 3369}
(( segid "B " and resid 34 and name HD23))
( segid "B " and resid 78 and name HD% )
3.800 1.800 1.800 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.64485E-03 ppm1 0.854 ppm2 7.015 CV 1
OR { 3369}
(( segid "B " and resid 34 and name HD22))
( segid "B " and resid 78 and name HD% )
OR { 3369}
(( segid "B " and resid 34 and name HD21))
( segid "B " and resid 78 and name HD% )
ASSI { 3370}
(( segid "B " and resid 34 and name HD23))
( segid "B " and resid 78 and name HE% )
3.300 1.400 1.400 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 0.853 ppm2 6.881 CV 1
OR { 3370}
(( segid "B " and resid 34 and name HD21))
( segid "B " and resid 78 and name HE% )
OR { 3370}
(( segid "B " and resid 34 and name HD22))
( segid "B " and resid 78 and name HE% )
ASSI { 3371}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 31 and name HA ))
4.600 2.600 1.400 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.90669E-03 ppm1 0.854 ppm2 4.081 CV 1
OR { 3371}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 31 and name HA ))
OR { 3371}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 31 and name HA ))
ASSI { 3372}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 34 and name HA ))
2.200 0.600 0.600 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.88677E-02 ppm1 0.853 ppm2 3.986 CV 1
OR { 3372}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 34 and name HA ))
OR { 3372}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 34 and name HA ))
ASSI { 3374}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 34 and name HB2 ))
3.000 1.100 1.100 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.42702E-02 ppm1 0.851 ppm2 2.111 CV 1
OR { 3374}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 34 and name HB2 ))
OR { 3374}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 34 and name HB2 ))
ASSI { 3375}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HG ))
3.000 1.100 1.100 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.42030E-02 ppm1 0.851 ppm2 2.061 CV 1
OR { 3375}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name HG ))
OR { 3375}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name HG ))
ASSI { 3377}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 34 and name HG ))
2.000 0.500 0.500 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.10623E-01 ppm1 0.853 ppm2 1.643 CV 1
OR { 3377}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 34 and name HG ))
OR { 3377}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 34 and name HG ))
ASSI { 3378}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name HB2 ))
3.400 1.500 1.500 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.30021E-02 ppm1 0.855 ppm2 1.703 CV 1
OR { 3378}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HB2 ))
OR { 3378}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name HB2 ))
ASSI { 3379}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.47948E-02 ppm1 0.854 ppm2 1.443 CV 1
OR { 3379}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 34 and name HB3 ))
OR { 3379}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 34 and name HB3 ))
ASSI { 3380}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 70 and name HG13))
2.800 1.000 1.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.46583E-02 ppm1 0.851 ppm2 1.195 CV 1
OR { 3380}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 70 and name HG11))
OR { 3380}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 70 and name HG12))
OR { 3380}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 70 and name HG13))
OR { 3380}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 70 and name HG11))
OR { 3380}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 70 and name HG12))
OR { 3380}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 70 and name HG13))
OR { 3380}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 70 and name HG11))
ASSI { 3381}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HD11))
2.300 0.700 0.700 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.10810E-01 ppm1 0.853 ppm2 1.039 CV 1
OR { 3381}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name HD11))
OR { 3381}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HD12))
OR { 3381}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HD13))
OR { 3381}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name HD12))
OR { 3381}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 38 and name HD13))
OR { 3381}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name HD11))
OR { 3381}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name HD12))
OR { 3381}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 38 and name HD13))
OR { 3381}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 38 and name HD22))
ASSI { 3383}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD11))
2.800 0.900 0.900 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.67498E-02 ppm1 0.853 ppm2 0.729 CV 1
OR { 3383}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 29 and name HD11))
OR { 3383}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 29 and name HD11))
OR { 3383}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD13))
OR { 3383}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 29 and name HD13))
OR { 3383}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD12))
OR { 3383}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 29 and name HD13))
ASSI { 3384}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD13))
3.800 1.800 1.800 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 0.853 ppm2 0.553 CV 1
OR { 3384}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD13))
OR { 3384}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD11))
OR { 3384}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD11))
OR { 3384}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 62 and name HD13))
OR { 3384}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD12))
OR { 3384}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD12))
OR { 3384}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 62 and name HD11))
OR { 3384}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 62 and name HD12))
ASSI { 3385}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD22))
3.100 1.200 1.200 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.49010E-02 ppm1 0.854 ppm2 0.413 CV 1
OR { 3385}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD21))
OR { 3385}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 62 and name HD23))
OR { 3385}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD22))
OR { 3385}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD21))
OR { 3385}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 62 and name HD23))
OR { 3385}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 62 and name HD22))
OR { 3385}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 62 and name HD21))
ASSI { 3387}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 29 and name HD22))
3.400 1.500 1.500 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.17911E-02 ppm1 0.851 ppm2 0.283 CV 1
OR { 3387}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 29 and name HD23))
OR { 3387}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD22))
OR { 3387}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD23))
OR { 3387}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 29 and name HD21))
OR { 3387}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 29 and name HD21))
OR { 3387}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 29 and name HD22))
OR { 3387}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 29 and name HD23))
ASSI { 3390}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HB3 ))
2.500 0.800 0.800 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.33316E-02 ppm1 4.080 ppm2 2.513 CV 1
OR { 3390}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 3398}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 35 and name H ))
3.500 1.500 1.500 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 4.076 ppm2 8.042 CV 1
ASSI { 3403}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 30 and name H ))
3.700 1.700 1.700 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.68670E-03 ppm1 2.520 ppm2 9.615 CV 1
ASSI { 3404}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 30 and name H ))
3.600 1.600 1.600 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.34811E-03 ppm1 2.422 ppm2 9.620 CV 1
ASSI { 3405}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 33 and name H ))
2.900 1.100 1.100 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 2.523 ppm2 8.695 CV 1
ASSI { 3416}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 35 and name HB3 ))
3.000 1.100 1.100 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.21294E-02 ppm1 4.153 ppm2 1.383 CV 1
OR { 3416}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 35 and name HD3 ))
OR { 3416}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 35 and name HD2 ))
ASSI { 3417}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 35 and name HB2 ))
3.000 1.100 1.100 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.18583E-02 ppm1 4.152 ppm2 1.769 CV 1
ASSI { 3418}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 35 and name HB2 ))
3.100 1.200 1.200 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.14811E-02 ppm1 4.149 ppm2 1.727 CV 1
ASSI { 3419}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 35 and name HD2 ))
4.700 2.800 1.300 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.61386E-03 ppm1 4.147 ppm2 1.312 CV 1
ASSI { 3420}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 35 and name HB3 ))
3.300 1.300 1.300 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.99080E-03 ppm1 4.147 ppm2 1.258 CV 1
ASSI { 3427}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 32 and name H ))
2.200 0.600 0.600 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.10444E-01 ppm1 3.997 ppm2 7.718 CV 1
OR { 3427}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 32 and name H ))
ASSI { 3428}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 32 and name H ))
2.300 0.600 0.600 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.78184E-02 ppm1 4.004 ppm2 7.667 CV 1
ASSI { 3431}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 31 and name H ))
4.400 2.400 1.600 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.84406E-03 ppm1 4.005 ppm2 8.374 CV 1
OR { 3431}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 31 and name H ))
ASSI { 3432}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 31 and name H ))
4.400 2.400 1.600 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.77361E-03 ppm1 3.999 ppm2 8.351 CV 1
OR { 3432}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 31 and name H ))
ASSI { 3433}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HB3 ))
2.300 0.700 0.700 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.81045E-02 ppm1 4.041 ppm2 1.901 CV 1
OR { 3433}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 3434}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HG2 ))
2.800 1.000 1.000 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 4.040 ppm2 1.569 CV 1
ASSI { 3436}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HD2 ))
4.800 2.800 1.200 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 4.039 ppm2 1.776 CV 1
OR { 3436}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HD3 ))
ASSI { 3437}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name H ))
2.700 0.900 0.900 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.23909E-02 ppm1 4.037 ppm2 8.388 CV 1
ASSI { 3438}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 33 and name H ))
3.400 1.500 1.500 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 4.035 ppm2 8.683 CV 1
ASSI { 3440}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 32 and name H ))
3.600 1.600 1.600 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.99493E-03 ppm1 4.033 ppm2 7.666 CV 1
ASSI { 3442}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HD11))
3.400 1.500 1.500 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 4.037 ppm2 0.783 CV 1
OR { 3442}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HD12))
OR { 3442}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HD13))
OR { 3442}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HD23))
OR { 3442}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HD21))
ASSI { 3446}
(( segid "B " and resid 31 and name HB3 ))
(( segid "B " and resid 31 and name HG2 ))
2.200 0.600 0.600 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.45608E-02 ppm1 1.901 ppm2 1.587 CV 1
OR { 3446}
(( segid "B " and resid 31 and name HB2 ))
(( segid "B " and resid 31 and name HG2 ))
ASSI { 3447}
(( segid "B " and resid 31 and name HB2 ))
(( segid "B " and resid 31 and name HG3 ))
2.200 0.600 0.600 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.53108E-02 ppm1 1.903 ppm2 1.496 CV 1
OR { 3447}
(( segid "B " and resid 31 and name HB3 ))
(( segid "B " and resid 31 and name HG3 ))
ASSI { 3452}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HA ))
3.300 1.400 1.400 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 1.499 ppm2 4.050 CV 1
ASSI { 3454}
(( segid "A " and resid 31 and name HD2 ))
( segid "A " and resid 55 and name HD% )
4.000 2.000 2.000 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 1.774 ppm2 7.218 CV 1
OR { 3454}
(( segid "A " and resid 31 and name HD3 ))
( segid "A " and resid 55 and name HD% )
OR { 3454}
(( segid "A " and resid 31 and name HD2 ))
( segid "A " and resid 55 and name HE% )
ASSI { 3458}
(( segid "A " and resid 31 and name HE2 ))
(( segid "A " and resid 31 and name HD3 ))
2.100 0.500 0.500 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.15880E-01 ppm1 3.027 ppm2 1.787 CV 1
OR { 3458}
(( segid "A " and resid 31 and name HE3 ))
(( segid "A " and resid 31 and name HD2 ))
OR { 3458}
(( segid "A " and resid 31 and name HE2 ))
(( segid "A " and resid 31 and name HD2 ))
OR { 3458}
(( segid "A " and resid 31 and name HE3 ))
(( segid "A " and resid 31 and name HD3 ))
ASSI { 3459}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name H ))
2.600 0.800 0.800 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.20998E-02 ppm1 4.088 ppm2 8.348 CV 1
ASSI { 3460}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 34 and name H ))
3.300 1.300 1.300 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.10511E-02 ppm1 4.084 ppm2 8.927 CV 1
ASSI { 3461}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 35 and name H ))
3.800 1.800 1.800 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.63533E-03 ppm1 4.093 ppm2 8.029 CV 1
ASSI { 3462}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 32 and name H ))
3.400 1.400 1.400 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.96610E-03 ppm1 4.094 ppm2 7.719 CV 1
ASSI { 3463}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 34 and name HB2 ))
2.900 1.100 1.100 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 4.086 ppm2 2.114 CV 1
ASSI { 3465}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HB3 ))
2.300 0.700 0.700 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.39124E-02 ppm1 4.083 ppm2 1.905 CV 1
OR { 3465}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HB2 ))
ASSI { 3466}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HD2 ))
4.500 2.500 1.500 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.76276E-03 ppm1 4.086 ppm2 1.774 CV 1
OR { 3466}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HD3 ))
ASSI { 3468}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HG3 ))
3.200 1.300 1.300 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.14629E-02 ppm1 4.086 ppm2 1.499 CV 1
ASSI { 3470}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 34 and name HB3 ))
4.200 2.200 1.800 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.78423E-03 ppm1 4.086 ppm2 1.443 CV 1
ASSI { 3471}
(( segid "B " and resid 31 and name HG2 ))
(( segid "B " and resid 31 and name H ))
3.300 1.400 1.400 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 1.584 ppm2 8.345 CV 1
ASSI { 3472}
(( segid "B " and resid 31 and name HG3 ))
(( segid "B " and resid 31 and name H ))
2.300 0.600 0.600 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 1.502 ppm2 8.345 CV 1
ASSI { 3474}
(( segid "B " and resid 31 and name HG2 ))
(( segid "B " and resid 31 and name HA ))
2.500 0.800 0.800 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 1.588 ppm2 4.084 CV 1
ASSI { 3475}
(( segid "B " and resid 31 and name HD3 ))
(( segid "B " and resid 32 and name H ))
2.700 2.700 3.300 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.83408E-03 ppm1 1.774 ppm2 7.711 CV 1
ASSI { 3478}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 69 and name HG3 ))
4.200 2.200 1.800 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 4.803 ppm2 2.193 CV 1
ASSI { 3488}
(( segid "B " and resid 30 and name HB2 ))
(( segid "B " and resid 30 and name HD21))
3.200 1.300 1.300 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.94812E-03 ppm1 3.478 ppm2 7.608 CV 1
ASSI { 3491}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name H ))
3.500 1.600 1.600 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 3.040 ppm2 8.382 CV 1
ASSI { 3497}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 30 and name H ))
2.400 0.700 0.700 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.22131E-02 ppm1 5.285 ppm2 9.597 CV 1
ASSI { 3498}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 29 and name H ))
3.100 1.200 1.200 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.87224E-03 ppm1 5.287 ppm2 9.662 CV 1
ASSI { 3499}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 30 and name H ))
2.300 0.700 0.700 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.26661E-02 ppm1 5.253 ppm2 9.639 CV 1
ASSI { 3503}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
3.400 1.400 1.400 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.80874E-03 ppm1 5.289 ppm2 2.146 CV 1
ASSI { 3513}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 70 and name H ))
4.200 2.200 1.800 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.82023E-03 ppm1 0.769 ppm2 9.994 CV 1
OR { 3513}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 70 and name H ))
OR { 3513}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 70 and name H ))
ASSI { 3515}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name H ))
4.800 2.800 1.200 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.92035E-03 ppm1 0.736 ppm2 8.925 CV 1
OR { 3515}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name H ))
OR { 3515}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name H ))
ASSI { 3516}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 70 and name H ))
4.400 2.400 1.600 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.72854E-03 ppm1 0.728 ppm2 10.042 CV 1
OR { 3516}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 70 and name H ))
OR { 3516}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 70 and name H ))
ASSI { 3517}
(( segid "A " and resid 29 and name HD11))
( segid "A " and resid 75 and name HD% )
2.700 0.900 0.900 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.40555E-02 ppm1 0.768 ppm2 6.924 CV 1
OR { 3517}
(( segid "A " and resid 29 and name HD13))
( segid "A " and resid 75 and name HD% )
OR { 3517}
(( segid "A " and resid 29 and name HD12))
( segid "A " and resid 75 and name HD% )
ASSI { 3518}
(( segid "B " and resid 29 and name HD11))
( segid "B " and resid 75 and name HD% )
2.800 1.000 1.000 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.33813E-02 ppm1 0.730 ppm2 6.904 CV 1
OR { 3518}
(( segid "B " and resid 29 and name HD13))
( segid "B " and resid 75 and name HD% )
OR { 3518}
(( segid "B " and resid 29 and name HD12))
( segid "B " and resid 75 and name HD% )
ASSI { 3519}
(( segid "A " and resid 29 and name HD13))
( segid "A " and resid 27 and name HD% )
4.400 2.400 1.600 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.78401E-03 ppm1 0.766 ppm2 7.466 CV 1
OR { 3519}
(( segid "A " and resid 29 and name HD12))
( segid "A " and resid 27 and name HD% )
OR { 3519}
(( segid "A " and resid 29 and name HD11))
( segid "A " and resid 27 and name HD% )
ASSI { 3520}
(( segid "B " and resid 29 and name HD13))
( segid "B " and resid 27 and name HD% )
2.600 2.600 3.400 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.99448E-03 ppm1 0.731 ppm2 7.488 CV 1
OR { 3520}
(( segid "B " and resid 29 and name HD12))
( segid "B " and resid 27 and name HD% )
OR { 3520}
(( segid "B " and resid 29 and name HD11))
( segid "B " and resid 27 and name HD% )
ASSI { 3521}
(( segid "A " and resid 29 and name HD11))
( segid "A " and resid 75 and name HE% )
3.000 1.200 1.200 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.83583E-03 ppm1 0.767 ppm2 6.712 CV 1
OR { 3521}
(( segid "A " and resid 29 and name HD13))
( segid "A " and resid 75 and name HE% )
OR { 3521}
(( segid "A " and resid 29 and name HD12))
( segid "A " and resid 75 and name HE% )
ASSI { 3522}
(( segid "B " and resid 29 and name HD11))
( segid "B " and resid 75 and name HE% )
3.300 1.300 1.300 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.74068E-03 ppm1 0.729 ppm2 6.655 CV 1
OR { 3522}
(( segid "B " and resid 29 and name HD13))
( segid "B " and resid 75 and name HE% )
OR { 3522}
(( segid "B " and resid 29 and name HD12))
( segid "B " and resid 75 and name HE% )
ASSI { 3523}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 29 and name HA ))
3.700 1.700 1.700 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 0.768 ppm2 5.250 CV 1
OR { 3523}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 29 and name HA ))
OR { 3523}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 29 and name HA ))
ASSI { 3524}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HA ))
3.600 1.600 1.600 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 0.728 ppm2 5.291 CV 1
OR { 3524}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HA ))
OR { 3524}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HA ))
ASSI { 3525}
(( segid "A " and resid 29 and name HD12))
( segid "A " and resid 16 and name HD% )
2.900 1.100 1.100 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.16981E-02 ppm1 0.769 ppm2 5.620 CV 1
OR { 3525}
(( segid "A " and resid 29 and name HD13))
( segid "A " and resid 16 and name HD% )
OR { 3525}
(( segid "A " and resid 29 and name HD11))
( segid "A " and resid 16 and name HD% )
ASSI { 3526}
(( segid "B " and resid 29 and name HD12))
( segid "B " and resid 16 and name HD% )
3.100 1.200 1.200 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.14707E-02 ppm1 0.729 ppm2 5.622 CV 1
OR { 3526}
(( segid "B " and resid 29 and name HD13))
( segid "B " and resid 16 and name HD% )
OR { 3526}
(( segid "B " and resid 29 and name HD11))
( segid "B " and resid 16 and name HD% )
ASSI { 3527}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 29 and name H ))
3.000 1.100 1.100 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.20542E-02 ppm1 0.768 ppm2 9.662 CV 1
OR { 3527}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 29 and name H ))
OR { 3527}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 29 and name H ))
ASSI { 3528}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name H ))
3.000 1.100 1.100 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.19311E-02 ppm1 0.730 ppm2 9.671 CV 1
OR { 3528}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name H ))
OR { 3528}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name H ))
ASSI { 3529}
(( segid "A " and resid 29 and name HD13))
( segid "A " and resid 72 and name HE% )
3.600 1.600 1.600 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.83105E-03 ppm1 0.770 ppm2 6.990 CV 1
OR { 3529}
(( segid "A " and resid 29 and name HD12))
( segid "A " and resid 72 and name HE% )
OR { 3529}
(( segid "A " and resid 29 and name HD11))
( segid "A " and resid 72 and name HE% )
ASSI { 3530}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 16 and name H ))
4.500 2.500 1.500 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.74155E-03 ppm1 0.729 ppm2 6.971 CV 1
OR { 3530}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 16 and name H ))
OR { 3530}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 16 and name H ))
ASSI { 3532}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 34 and name HA ))
3.700 1.700 1.700 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 0.769 ppm2 3.958 CV 1
OR { 3532}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 34 and name HA ))
OR { 3532}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 34 and name HA ))
ASSI { 3536}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 75 and name HB3 ))
3.700 1.700 1.700 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.13112E-02 ppm1 0.764 ppm2 3.032 CV 1
OR { 3536}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 75 and name HB3 ))
OR { 3536}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 75 and name HB3 ))
ASSI { 3539}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 29 and name HB2 ))
2.300 0.700 0.700 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.35331E-02 ppm1 0.768 ppm2 2.164 CV 1
OR { 3539}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 29 and name HB2 ))
OR { 3539}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 3543}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 29 and name HG ))
1.900 0.500 0.500 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.96329E-02 ppm1 0.768 ppm2 1.194 CV 1
OR { 3543}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 29 and name HG ))
OR { 3543}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 29 and name HG ))
ASSI { 3544}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 29 and name HB3 ))
3.000 1.100 1.100 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.37933E-02 ppm1 0.768 ppm2 1.246 CV 1
OR { 3544}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 29 and name HB3 ))
OR { 3544}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 3545}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 37 and name HD13))
2.700 0.900 0.900 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.56769E-02 ppm1 0.768 ppm2 0.892 CV 1
OR { 3545}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 37 and name HD13))
OR { 3545}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 37 and name HD11))
OR { 3545}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 37 and name HD12))
OR { 3545}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 37 and name HD12))
OR { 3545}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 37 and name HD11))
OR { 3545}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 37 and name HD13))
OR { 3545}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 37 and name HD12))
OR { 3545}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 37 and name HD11))
ASSI { 3547}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HD22))
2.300 0.700 0.700 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.92403E-02 ppm1 0.729 ppm2 0.278 CV 1
OR { 3547}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HD21))
OR { 3547}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HD23))
OR { 3547}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HD22))
OR { 3547}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HD21))
OR { 3547}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HD23))
OR { 3547}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HD21))
OR { 3547}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HD22))
ASSI { 3550}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HG ))
2.000 0.500 0.500 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.79682E-02 ppm1 0.730 ppm2 1.194 CV 1
OR { 3550}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HG ))
OR { 3550}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HG ))
ASSI { 3551}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HB3 ))
3.100 1.200 1.200 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.35224E-02 ppm1 0.729 ppm2 1.250 CV 1
OR { 3551}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HB3 ))
OR { 3551}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HB3 ))
ASSI { 3553}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HG ))
4.000 2.000 2.000 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.84861E-03 ppm1 0.728 ppm2 1.646 CV 1
OR { 3553}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HG ))
OR { 3553}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HG ))
ASSI { 3555}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 29 and name HB2 ))
2.300 0.700 0.700 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.38043E-02 ppm1 0.729 ppm2 2.139 CV 1
OR { 3555}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 29 and name HB2 ))
OR { 3555}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 3556}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 75 and name HB3 ))
4.500 2.500 1.500 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.86140E-03 ppm1 0.728 ppm2 2.993 CV 1
OR { 3556}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 75 and name HB3 ))
OR { 3556}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 75 and name HB3 ))
ASSI { 3558}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 16 and name HA ))
3.200 1.300 1.300 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.99493E-03 ppm1 0.731 ppm2 3.607 CV 1
OR { 3558}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 16 and name HA ))
OR { 3558}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 16 and name HA ))
ASSI { 3559}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HA ))
3.500 1.600 1.600 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.22196E-02 ppm1 0.730 ppm2 3.986 CV 1
OR { 3559}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HA ))
OR { 3559}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HA ))
ASSI { 3560}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 29 and name HA ))
3.200 1.300 1.300 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 0.282 ppm2 5.279 CV 1
OR { 3560}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 29 and name HA ))
OR { 3560}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 29 and name HA ))
ASSI { 3564}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 16 and name HA ))
3.400 1.500 1.500 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.17987E-02 ppm1 0.284 ppm2 3.612 CV 1
OR { 3564}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 16 and name HA ))
OR { 3564}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 16 and name HA ))
ASSI { 3568}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 29 and name H ))
2.600 0.800 0.800 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 5.154 ppm2 9.668 CV 1
ASSI { 3569}
(( segid "B " and resid 28 and name HA ))
( segid "B " and resid 27 and name HD% )
3.100 1.200 1.200 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.19404E-02 ppm1 5.151 ppm2 7.476 CV 1
ASSI { 3571}
(( segid "B " and resid 28 and name HA ))
( segid "B " and resid 75 and name HD% )
4.000 2.000 2.000 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.86052E-03 ppm1 5.151 ppm2 6.917 CV 1
ASSI { 3572}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 75 and name HD% )
3.800 1.800 1.800 peak 3572 spectrum 1 weight 0.10000E+01 volume 0.70339E-03 ppm1 5.176 ppm2 6.903 CV 1
ASSI { 3574}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 27 and name HD% )
3.300 1.400 1.400 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 5.170 ppm2 7.487 CV 1
ASSI { 3575}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name H ))
2.600 0.900 0.900 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.21000E-02 ppm1 5.174 ppm2 9.665 CV 1
ASSI { 3576}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
4.300 2.300 1.700 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.80745E-03 ppm1 5.148 ppm2 2.159 CV 1
ASSI { 3578}
(( segid "B " and resid 28 and name HB3 ))
(( segid "B " and resid 28 and name HG2 ))
2.900 1.100 1.100 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.18340E-02 ppm1 1.750 ppm2 1.512 CV 1
OR { 3578}
(( segid "B " and resid 28 and name HB3 ))
(( segid "B " and resid 28 and name HD3 ))
ASSI { 3579}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HG2 ))
3.300 1.400 1.400 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.13227E-02 ppm1 1.712 ppm2 1.509 CV 1
OR { 3579}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HD3 ))
ASSI { 3582}
(( segid "A " and resid 87 and name HB3 ))
(( segid "A " and resid 87 and name HB2 ))
2.200 0.600 0.600 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 1.772 ppm2 2.388 CV 1
ASSI { 3583}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HA ))
3.400 1.400 1.400 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.63381E-03 ppm1 1.721 ppm2 5.175 CV 1
OR { 3583}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HA ))
ASSI { 3584}
(( segid "B " and resid 28 and name HB2 ))
(( segid "B " and resid 28 and name HA ))
3.200 1.300 1.300 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.95980E-03 ppm1 1.751 ppm2 5.163 CV 1
OR { 3584}
(( segid "B " and resid 28 and name HB3 ))
(( segid "B " and resid 28 and name HA ))
ASSI { 3590}
(( segid "B " and resid 18 and name HD2 ))
(( segid "B " and resid 18 and name HG3 ))
2.600 0.800 0.800 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.24082E-02 ppm1 1.731 ppm2 0.722 CV 1
ASSI { 3595}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 69 and name HG2 ))
4.000 2.000 2.000 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 1.722 ppm2 2.132 CV 1
ASSI { 3597}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 20 and name HB2 ))
3.500 3.500 2.500 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.18841E-02 ppm1 1.513 ppm2 3.082 CV 1
ASSI { 3611}
(( segid "B " and resid 27 and name HA ))
( segid "B " and resid 75 and name HD% )
4.200 2.200 1.800 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.11027E-02 ppm1 4.845 ppm2 6.901 CV 1
ASSI { 3612}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 27 and name HB2 ))
2.700 0.900 0.900 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.37781E-02 ppm1 4.847 ppm2 3.774 CV 1
ASSI { 3621}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name HA ))
3.000 1.100 1.100 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 3.172 ppm2 4.250 CV 1
ASSI { 3638}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 26 and name HB3 ))
1.700 0.400 0.500 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.10333E-01 ppm1 1.591 ppm2 1.431 CV 1
ASSI { 3642}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 26 and name HA ))
2.600 0.900 0.900 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 1.591 ppm2 4.413 CV 1
ASSI { 3645}
(( segid "B " and resid 26 and name HB2 ))
( segid "B " and resid 27 and name HD% )
3.900 1.900 1.900 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.70035E-03 ppm1 1.592 ppm2 7.497 CV 1
ASSI { 3647}
(( segid "B " and resid 26 and name HB3 ))
(( segid "B " and resid 26 and name H ))
2.900 1.100 1.100 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 1.431 ppm2 9.338 CV 1
ASSI { 3653}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HB2 ))
1.700 0.400 0.500 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.10296E-01 ppm1 1.431 ppm2 1.595 CV 1
ASSI { 3656}
(( segid "B " and resid 26 and name HG2 ))
(( segid "B " and resid 26 and name HA ))
3.300 1.400 1.400 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.33206E-02 ppm1 1.304 ppm2 4.413 CV 1
ASSI { 3671}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 28 and name H ))
4.900 3.000 1.100 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.37500E-03 ppm1 1.633 ppm2 7.219 CV 1
OR { 3671}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 28 and name H ))
ASSI { 3682}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
3.200 1.300 1.300 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.25231E-02 ppm1 4.489 ppm2 2.889 CV 1
ASSI { 3683}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 25 and name HB3 ))
2.700 0.900 0.900 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.32341E-02 ppm1 4.490 ppm2 2.707 CV 1
ASSI { 3686}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 25 and name HA ))
3.500 1.500 1.500 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.13974E-02 ppm1 2.889 ppm2 4.489 CV 1
ASSI { 3691}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 26 and name H ))
3.600 1.700 1.700 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.68237E-03 ppm1 2.709 ppm2 9.332 CV 1
ASSI { 3699}
(( segid "B " and resid 24 and name HA2 ))
(( segid "B " and resid 25 and name H ))
4.100 2.100 1.900 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 3.949 ppm2 8.611 CV 1
ASSI { 3708}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 24 and name H ))
3.800 1.800 1.800 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.87399E-03 ppm1 1.980 ppm2 8.993 CV 1
ASSI { 3740}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HE2 ))
4.300 2.300 1.700 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.86227E-03 ppm1 4.000 ppm2 3.046 CV 1
OR { 3740}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 3750}
(( segid "B " and resid 22 and name HB3 ))
(( segid "B " and resid 22 and name HE3 ))
4.400 2.400 1.600 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 2.035 ppm2 3.035 CV 1
ASSI { 3751}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 22 and name HE2 ))
3.900 1.900 1.900 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.59197E-03 ppm1 2.199 ppm2 3.035 CV 1
OR { 3751}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 22 and name HE3 ))
ASSI { 3754}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 23 and name H ))
4.200 2.200 1.800 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 1.752 ppm2 9.614 CV 1
ASSI { 3755}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 23 and name H ))
4.300 2.300 1.700 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.99319E-03 ppm1 1.721 ppm2 9.608 CV 1
ASSI { 3756}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name H ))
3.800 1.800 1.800 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.30823E-02 ppm1 1.743 ppm2 7.244 CV 1
ASSI { 3757}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name H ))
3.700 1.700 1.700 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 1.717 ppm2 7.231 CV 1
ASSI { 3759}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 19 and name HA ))
3.900 1.900 1.900 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.17068E-02 ppm1 1.747 ppm2 4.341 CV 1
ASSI { 3760}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 19 and name HA ))
4.000 2.000 2.000 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.16474E-02 ppm1 1.719 ppm2 4.354 CV 1
ASSI { 3761}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HA ))
3.400 1.500 1.500 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 1.747 ppm2 4.002 CV 1
ASSI { 3762}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name HA ))
3.300 1.300 1.300 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.24299E-02 ppm1 1.719 ppm2 3.994 CV 1
ASSI { 3763}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HE2 ))
3.600 1.700 1.700 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.14447E-02 ppm1 1.741 ppm2 3.036 CV 1
OR { 3763}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HE3 ))
ASSI { 3764}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name HE2 ))
3.600 1.600 1.600 peak 3764 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 1.724 ppm2 3.053 CV 1
OR { 3764}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 3765}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HB2 ))
3.200 1.300 1.300 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 1.743 ppm2 2.197 CV 1
ASSI { 3767}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 19 and name HA ))
2.700 0.900 0.900 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.28829E-02 ppm1 2.193 ppm2 4.338 CV 1
ASSI { 3768}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 19 and name HA ))
2.700 0.900 0.900 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.26076E-02 ppm1 2.176 ppm2 4.351 CV 1
ASSI { 3769}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name HB2 ))
3.100 1.200 1.200 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.26250E-02 ppm1 1.726 ppm2 2.177 CV 1
ASSI { 3770}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HG3 ))
1.800 0.400 0.400 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.77187E-02 ppm1 1.748 ppm2 1.468 CV 1
ASSI { 3771}
(( segid "A " and resid 22 and name HG2 ))
(( segid "A " and resid 22 and name HG3 ))
1.700 0.400 0.500 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.97585E-02 ppm1 1.721 ppm2 1.482 CV 1
ASSI { 3779}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 22 and name HE2 ))
3.000 1.100 1.100 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 1.473 ppm2 3.040 CV 1
ASSI { 3806}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 20 and name HB3 ))
2.800 1.000 1.000 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.15245E-02 ppm1 3.570 ppm2 2.271 CV 1
ASSI { 3807}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 3.570 ppm2 3.114 CV 1
ASSI { 3808}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB3 ))
2.800 1.000 1.000 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 3.547 ppm2 2.177 CV 1
ASSI { 3809}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.14733E-02 ppm1 3.549 ppm2 3.085 CV 1
ASSI { 3810}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 29 and name HD21))
3.200 1.300 1.300 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.38931E-02 ppm1 3.569 ppm2 0.275 CV 1
OR { 3810}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 29 and name HD23))
OR { 3810}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 29 and name HD22))
ASSI { 3813}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 29 and name HA ))
3.600 1.600 1.600 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.66807E-03 ppm1 3.574 ppm2 5.292 CV 1
ASSI { 3814}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 29 and name HA ))
3.600 1.600 1.600 peak 3814 spectrum 1 weight 0.10000E+01 volume 0.70339E-03 ppm1 3.545 ppm2 5.257 CV 1
ASSI { 3819}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HB3 ))
2.300 0.700 0.700 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.88480E-03 ppm1 3.072 ppm2 2.172 CV 1
ASSI { 3820}
(( segid "B " and resid 20 and name HB2 ))
(( segid "B " and resid 20 and name HB3 ))
2.200 0.600 0.600 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.10749E-02 ppm1 3.108 ppm2 2.269 CV 1
ASSI { 3822}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 29 and name HD21))
5.100 3.300 0.900 peak 3822 spectrum 1 weight 0.10000E+01 volume 0.73199E-03 ppm1 3.073 ppm2 0.293 CV 1
OR { 3822}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 29 and name HD22))
OR { 3822}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 29 and name HD23))
ASSI { 3823}
(( segid "B " and resid 20 and name HB2 ))
(( segid "B " and resid 29 and name HD21))
5.100 3.200 0.900 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.78165E-03 ppm1 3.101 ppm2 0.281 CV 1
OR { 3823}
(( segid "B " and resid 20 and name HB2 ))
(( segid "B " and resid 29 and name HD22))
OR { 3823}
(( segid "B " and resid 20 and name HB2 ))
(( segid "B " and resid 29 and name HD23))
ASSI { 3829}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 29 and name HD21))
4.300 2.300 1.700 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.65115E-03 ppm1 2.169 ppm2 0.291 CV 1
OR { 3829}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 29 and name HD22))
OR { 3829}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 29 and name HD23))
ASSI { 3832}
(( segid "B " and resid 20 and name HB3 ))
(( segid "B " and resid 29 and name HD21))
4.400 2.400 1.600 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.54602E-03 ppm1 2.272 ppm2 0.278 CV 1
OR { 3832}
(( segid "B " and resid 20 and name HB3 ))
(( segid "B " and resid 29 and name HD22))
OR { 3832}
(( segid "B " and resid 20 and name HB3 ))
(( segid "B " and resid 29 and name HD23))
ASSI { 3833}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 29 and name HD21))
4.300 2.300 1.700 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 4.357 ppm2 0.287 CV 1
OR { 3833}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 29 and name HD23))
OR { 3833}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 29 and name HD22))
ASSI { 3836}
(( segid "B " and resid 19 and name HA ))
( segid "B " and resid 19 and name HD% )
2.900 1.000 1.000 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 4.345 ppm2 7.413 CV 1
ASSI { 3837}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name H ))
3.800 1.800 1.800 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.78640E-03 ppm1 4.340 ppm2 7.239 CV 1
ASSI { 3838}
(( segid "B " and resid 19 and name HA ))
( segid "B " and resid 19 and name HE% )
3.500 1.600 1.600 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.25448E-02 ppm1 4.343 ppm2 6.845 CV 1
ASSI { 3846}
(( segid "B " and resid 78 and name HA ))
( segid "C " and resid 1917 and name HD1%)
2.500 0.800 0.800 peak 3846 spectrum 1 weight 0.10000E+01 volume 0.30368E-02 ppm1 4.338 ppm2 1.186 CV 1
ASSI { 3853}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HD2 ))
2.900 1.100 1.100 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.16523E-02 ppm1 4.336 ppm2 1.911 CV 1
ASSI { 3871}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 18 and name HG3 ))
2.800 0.900 0.900 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 1.917 ppm2 0.720 CV 1
ASSI { 3872}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HG3 ))
3.400 1.500 1.500 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.13593E-02 ppm1 1.884 ppm2 0.725 CV 1
ASSI { 3873}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HG2 ))
2.800 1.000 1.000 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.16493E-02 ppm1 1.886 ppm2 1.373 CV 1
ASSI { 3874}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 18 and name HG2 ))
3.400 1.400 1.400 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 1.917 ppm2 1.378 CV 1
ASSI { 3876}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HE3 ))
4.300 2.300 1.700 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.94508E-03 ppm1 1.885 ppm2 2.946 CV 1
OR { 3876}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HE2 ))
ASSI { 3879}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 19 and name H ))
2.900 1.000 1.000 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 1.883 ppm2 6.844 CV 1
OR { 3879}
(( segid "B " and resid 18 and name HB3 ))
( segid "B " and resid 19 and name HE% )
ASSI { 3880}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 18 and name H ))
2.700 0.900 0.900 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 1.912 ppm2 7.916 CV 1
ASSI { 3881}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name H ))
2.800 1.000 1.000 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.18414E-02 ppm1 1.881 ppm2 7.908 CV 1
ASSI { 3883}
(( segid "A " and resid 18 and name HD2 ))
(( segid "A " and resid 18 and name HG3 ))
2.600 0.800 0.800 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.25057E-02 ppm1 1.746 ppm2 0.834 CV 1
ASSI { 3884}
(( segid "A " and resid 18 and name HD3 ))
(( segid "A " and resid 18 and name HG3 ))
3.200 1.200 1.200 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.25209E-02 ppm1 1.686 ppm2 0.835 CV 1
ASSI { 3885}
(( segid "B " and resid 18 and name HD3 ))
(( segid "B " and resid 18 and name HG3 ))
3.300 1.300 1.300 peak 3885 spectrum 1 weight 0.10000E+01 volume 0.21108E-02 ppm1 1.664 ppm2 0.721 CV 1
ASSI { 3886}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 18 and name HG3 ))
2.700 0.900 0.900 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.17579E-02 ppm1 1.913 ppm2 0.855 CV 1
ASSI { 3887}
(( segid "A " and resid 18 and name HB3 ))
(( segid "A " and resid 18 and name HG3 ))
3.400 1.400 1.400 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 1.813 ppm2 0.833 CV 1
ASSI { 3888}
(( segid "A " and resid 18 and name HB3 ))
(( segid "A " and resid 18 and name HE3 ))
4.400 2.500 1.600 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.95570E-03 ppm1 1.815 ppm2 2.958 CV 1
ASSI { 3889}
(( segid "A " and resid 18 and name HB3 ))
(( segid "A " and resid 19 and name H ))
2.900 1.100 1.100 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.11042E-02 ppm1 1.810 ppm2 6.867 CV 1
ASSI { 3890}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 18 and name H ))
2.700 0.900 0.900 peak 3890 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 1.914 ppm2 7.777 CV 1
ASSI { 3891}
(( segid "A " and resid 18 and name HB3 ))
(( segid "A " and resid 18 and name H ))
2.700 0.900 0.900 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 1.817 ppm2 7.774 CV 1
ASSI { 3894}
(( segid "A " and resid 18 and name HB3 ))
( segid "A " and resid 19 and name HD% )
2.900 1.100 1.100 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.87551E-03 ppm1 1.806 ppm2 7.393 CV 1
ASSI { 3900}
(( segid "B " and resid 18 and name HE3 ))
(( segid "B " and resid 18 and name H ))
5.500 3.700 0.500 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.78901E-03 ppm1 2.951 ppm2 7.917 CV 1
OR { 3900}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name H ))
ASSI { 3902}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HA ))
4.200 2.200 1.800 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 2.963 ppm2 4.001 CV 1
OR { 3902}
(( segid "A " and resid 18 and name HE2 ))
(( segid "A " and resid 18 and name HA ))
ASSI { 3903}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HG3 ))
2.400 0.700 0.700 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.61018E-02 ppm1 2.965 ppm2 0.835 CV 1
ASSI { 3904}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name HG3 ))
2.900 1.100 1.100 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.52869E-02 ppm1 2.945 ppm2 0.722 CV 1
ASSI { 3905}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HG2 ))
2.400 0.700 0.700 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.57876E-02 ppm1 2.963 ppm2 1.440 CV 1
ASSI { 3906}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name HG2 ))
2.600 0.900 0.900 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.52804E-02 ppm1 2.943 ppm2 1.375 CV 1
ASSI { 3910}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HG3 ))
2.900 1.100 1.100 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 3.993 ppm2 0.833 CV 1
ASSI { 3911}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HG2 ))
3.100 1.200 1.200 peak 3911 spectrum 1 weight 0.10000E+01 volume 0.23909E-02 ppm1 3.991 ppm2 1.442 CV 1
ASSI { 3912}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HB2 ))
2.300 0.700 0.700 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.56291E-02 ppm1 3.990 ppm2 1.912 CV 1
ASSI { 3913}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HB3 ))
3.000 1.100 1.100 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.31604E-02 ppm1 3.989 ppm2 1.818 CV 1
ASSI { 3915}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 19 and name H ))
3.400 1.500 1.500 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 3.994 ppm2 6.880 CV 1
ASSI { 3916}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name H ))
2.900 1.100 1.100 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 4.865 ppm2 7.046 CV 1
ASSI { 3917}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 20 and name H ))
3.500 1.500 1.500 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.14534E-02 ppm1 4.865 ppm2 8.532 CV 1
ASSI { 3918}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 18 and name H ))
3.400 1.400 1.400 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.91625E-03 ppm1 4.870 ppm2 7.913 CV 1
ASSI { 3919}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 4.866 ppm2 3.330 CV 1
ASSI { 3920}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HB3 ))
2.900 1.100 1.100 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 4.860 ppm2 2.881 CV 1
ASSI { 3921}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 17 and name H ))
3.000 1.100 1.100 peak 3921 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 3.324 ppm2 7.051 CV 1
ASSI { 3922}
(( segid "B " and resid 17 and name HB2 ))
( segid "A " and resid 90 and name HE% )
3.700 1.700 1.700 peak 3922 spectrum 1 weight 0.10000E+01 volume 0.74739E-03 ppm1 3.329 ppm2 7.145 CV 1
ASSI { 3926}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 17 and name HB3 ))
2.300 0.700 0.700 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.24385E-02 ppm1 3.332 ppm2 2.879 CV 1
ASSI { 3928}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 20 and name H ))
3.500 1.600 1.600 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.13201E-02 ppm1 4.816 ppm2 8.338 CV 1
ASSI { 3929}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 18 and name H ))
3.300 1.400 1.400 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.99903E-03 ppm1 4.814 ppm2 7.779 CV 1
ASSI { 3930}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name H ))
2.800 1.000 1.000 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 4.813 ppm2 7.001 CV 1
ASSI { 3931}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.18000E-02 ppm1 4.812 ppm2 3.410 CV 1
ASSI { 3932}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 20 and name HB2 ))
3.800 1.800 1.800 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 4.801 ppm2 3.060 CV 1
ASSI { 3933}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HB3 ))
2.900 1.000 1.000 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.18429E-02 ppm1 4.812 ppm2 2.949 CV 1
ASSI { 3934}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 17 and name H ))
3.000 1.100 1.100 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 3.408 ppm2 6.992 CV 1
ASSI { 3938}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 17 and name HB3 ))
2.300 0.700 0.700 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 3.401 ppm2 2.958 CV 1
ASSI { 3940}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.12592E-02 ppm1 3.625 ppm2 3.123 CV 1
ASSI { 3941}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HB3 ))
3.200 1.300 1.300 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.16745E-02 ppm1 3.622 ppm2 2.594 CV 1
ASSI { 3942}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 16 and name HB3 ))
3.300 1.400 1.400 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.13998E-02 ppm1 3.583 ppm2 2.603 CV 1
ASSI { 3943}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 3.577 ppm2 3.049 CV 1
ASSI { 3944}
(( segid "B " and resid 16 and name HA ))
( segid "B " and resid 16 and name HD% )
3.200 1.300 1.300 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 3.626 ppm2 5.628 CV 1
ASSI { 3945}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name H ))
2.900 1.100 1.100 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 3.624 ppm2 6.992 CV 1
ASSI { 3946}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name H ))
3.700 1.800 1.800 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.10931E-02 ppm1 3.624 ppm2 7.045 CV 1
ASSI { 3948}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 17 and name H ))
3.700 1.700 1.700 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 3.580 ppm2 6.999 CV 1
ASSI { 3949}
(( segid "A " and resid 16 and name HA ))
( segid "A " and resid 16 and name HD% )
3.300 1.300 1.300 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.10905E-02 ppm1 3.583 ppm2 5.637 CV 1
ASSI { 3950}
(( segid "B " and resid 16 and name HA ))
( segid "B " and resid 75 and name HE% )
3.900 1.900 1.900 peak 3950 spectrum 1 weight 0.10000E+01 volume 0.69406E-03 ppm1 3.630 ppm2 6.649 CV 1
ASSI { 3951}
(( segid "A " and resid 16 and name HA ))
( segid "A " and resid 75 and name HE% )
3.900 1.900 1.900 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.59717E-03 ppm1 3.580 ppm2 6.692 CV 1
ASSI { 3952}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 19 and name H ))
3.600 1.600 1.600 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.63575E-03 ppm1 3.576 ppm2 6.889 CV 1
ASSI { 3955}
(( segid "B " and resid 16 and name HB2 ))
(( segid "B " and resid 16 and name H ))
2.700 0.900 0.900 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 3.126 ppm2 6.992 CV 1
ASSI { 3958}
(( segid "B " and resid 45 and name HB3 ))
(( segid "B " and resid 45 and name HB2 ))
2.200 0.600 0.600 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 3.111 ppm2 3.408 CV 1
ASSI { 3959}
(( segid "B " and resid 16 and name HB2 ))
(( segid "B " and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 3.122 ppm2 2.590 CV 1
ASSI { 3966}
(( segid "A " and resid 16 and name HB2 ))
( segid "A " and resid 16 and name HD% )
3.200 1.300 1.300 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.74478E-03 ppm1 3.049 ppm2 5.617 CV 1
ASSI { 3967}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 17 and name H ))
4.000 2.000 2.000 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 3.050 ppm2 6.996 CV 1
ASSI { 3968}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.87744E-03 ppm1 3.042 ppm2 2.602 CV 1
ASSI { 3969}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 15 and name HB ))
3.000 1.100 1.100 peak 3969 spectrum 1 weight 0.10000E+01 volume 0.16792E-02 ppm1 4.396 ppm2 4.004 CV 1
ASSI { 3970}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name HB ))
3.000 1.200 1.200 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 4.433 ppm2 4.016 CV 1
ASSI { 3986}
(( segid "A " and resid 15 and name HA ))
(( segid "B " and resid 5 and name HD22))
4.700 2.800 1.300 peak 3986 spectrum 1 weight 0.10000E+01 volume 0.60282E-03 ppm1 4.432 ppm2 1.100 CV 1
OR { 3986}
(( segid "A " and resid 15 and name HA ))
(( segid "B " and resid 5 and name HD23))
OR { 3986}
(( segid "A " and resid 15 and name HA ))
(( segid "B " and resid 5 and name HD21))
ASSI { 3987}
(( segid "B " and resid 15 and name HA ))
(( segid "A " and resid 5 and name HD22))
4.800 2.800 1.200 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.59458E-03 ppm1 4.413 ppm2 1.062 CV 1
OR { 3987}
(( segid "B " and resid 15 and name HA ))
(( segid "A " and resid 5 and name HD23))
OR { 3987}
(( segid "B " and resid 15 and name HA ))
(( segid "A " and resid 5 and name HD21))
ASSI { 3988}
(( segid "B " and resid 15 and name HG21))
(( segid "A " and resid 5 and name HD22))
2.600 0.800 0.800 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.12865E-01 ppm1 1.521 ppm2 1.051 CV 1
OR { 3988}
(( segid "B " and resid 15 and name HG23))
(( segid "A " and resid 5 and name HD22))
OR { 3988}
(( segid "B " and resid 15 and name HG22))
(( segid "A " and resid 5 and name HD22))
OR { 3988}
(( segid "B " and resid 15 and name HG23))
(( segid "A " and resid 5 and name HD23))
OR { 3988}
(( segid "B " and resid 15 and name HG21))
(( segid "A " and resid 5 and name HD23))
OR { 3988}
(( segid "B " and resid 15 and name HG23))
(( segid "A " and resid 5 and name HD21))
OR { 3988}
(( segid "B " and resid 15 and name HG21))
(( segid "A " and resid 5 and name HD21))
OR { 3988}
(( segid "B " and resid 15 and name HG22))
(( segid "A " and resid 5 and name HD23))
OR { 3988}
(( segid "B " and resid 15 and name HG22))
(( segid "A " and resid 5 and name HD21))
OR { 3988}
(( segid "B " and resid 15 and name HG23))
(( segid "A " and resid 5 and name HD11))
OR { 3988}
(( segid "B " and resid 15 and name HG23))
(( segid "A " and resid 5 and name HD12))
OR { 3988}
(( segid "B " and resid 15 and name HG21))
(( segid "A " and resid 5 and name HD11))
ASSI { 3989}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD11))
2.300 0.700 0.700 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.92665E-02 ppm1 1.521 ppm2 0.916 CV 1
OR { 3989}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD11))
OR { 3989}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD12))
OR { 3989}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD12))
OR { 3989}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 37 and name HD11))
OR { 3989}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 37 and name HD12))
OR { 3989}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD13))
OR { 3989}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD13))
ASSI { 3990}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD22))
3.000 1.200 1.200 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.51438E-02 ppm1 1.519 ppm2 0.854 CV 1
OR { 3990}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD21))
OR { 3990}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD22))
OR { 3990}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 37 and name HD22))
OR { 3990}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name HD23))
OR { 3990}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 37 and name HD21))
OR { 3990}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD21))
OR { 3990}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name HD23))
ASSI { 3992}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 41 and name HB2 ))
2.500 0.800 0.800 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.54212E-02 ppm1 1.521 ppm2 2.439 CV 1
OR { 3992}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 41 and name HB2 ))
OR { 3992}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 41 and name HB2 ))
ASSI { 3993}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 41 and name HG2 ))
3.200 1.300 1.300 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.31625E-02 ppm1 1.526 ppm2 2.644 CV 1
OR { 3993}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 41 and name HG2 ))
OR { 3993}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 41 and name HG2 ))
ASSI { 3995}
(( segid "B " and resid 15 and name HG22))
( segid "B " and resid 19 and name HE% )
2.300 0.600 0.600 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.76363E-02 ppm1 1.519 ppm2 6.857 CV 1
OR { 3995}
(( segid "B " and resid 15 and name HG21))
( segid "B " and resid 19 and name HE% )
OR { 3995}
(( segid "B " and resid 15 and name HG23))
( segid "B " and resid 19 and name HE% )
ASSI { 3996}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 16 and name H ))
3.500 1.500 1.500 peak 3996 spectrum 1 weight 0.10000E+01 volume 0.19729E-02 ppm1 1.518 ppm2 6.989 CV 1
OR { 3996}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 16 and name H ))
OR { 3996}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 16 and name H ))
ASSI { 3997}
(( segid "B " and resid 15 and name HG22))
( segid "B " and resid 19 and name HD% )
2.700 0.900 0.900 peak 3997 spectrum 1 weight 0.10000E+01 volume 0.38043E-02 ppm1 1.521 ppm2 7.416 CV 1
OR { 3997}
(( segid "B " and resid 15 and name HG23))
( segid "B " and resid 19 and name HD% )
OR { 3997}
(( segid "B " and resid 15 and name HG21))
( segid "B " and resid 19 and name HD% )
ASSI { 3999}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 15 and name H ))
3.400 1.500 1.500 peak 3999 spectrum 1 weight 0.10000E+01 volume 0.29414E-02 ppm1 1.519 ppm2 8.716 CV 1
OR { 3999}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 15 and name H ))
OR { 3999}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 15 and name H ))
ASSI { 4002}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 15 and name HA ))
2.400 0.700 0.700 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.69212E-02 ppm1 1.521 ppm2 4.400 CV 1
OR { 4002}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 15 and name HA ))
OR { 4002}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 15 and name HA ))
ASSI { 4003}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 15 and name HA ))
2.400 0.700 0.700 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.70164E-02 ppm1 1.535 ppm2 4.435 CV 1
OR { 4003}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 15 and name HA ))
OR { 4003}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 15 and name HA ))
ASSI { 4007}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 41 and name HG2 ))
3.100 3.100 2.900 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.34746E-02 ppm1 1.533 ppm2 2.613 CV 1
OR { 4007}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 41 and name HG2 ))
OR { 4007}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 41 and name HG2 ))
ASSI { 4008}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 41 and name HB2 ))
2.500 2.500 3.500 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.60217E-02 ppm1 1.533 ppm2 2.418 CV 1
OR { 4008}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 41 and name HB2 ))
OR { 4008}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 4009}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 5 and name HB2 ))
2.700 0.900 0.900 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 1.535 ppm2 2.128 CV 1
OR { 4009}
(( segid "A " and resid 15 and name HG23))
(( segid "B " and resid 5 and name HB2 ))
OR { 4009}
(( segid "A " and resid 15 and name HG22))
(( segid "B " and resid 5 and name HB2 ))
ASSI { 4010}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 18 and name HB2 ))
3.800 1.800 1.800 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.20681E-02 ppm1 1.534 ppm2 1.913 CV 1
OR { 4010}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 18 and name HB2 ))
OR { 4010}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 18 and name HB2 ))
ASSI { 4014}
(( segid "A " and resid 15 and name HG22))
( segid "A " and resid 19 and name HE% )
2.200 0.600 0.600 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.86379E-02 ppm1 1.531 ppm2 6.852 CV 1
OR { 4014}
(( segid "A " and resid 15 and name HG21))
( segid "A " and resid 19 and name HE% )
OR { 4014}
(( segid "A " and resid 15 and name HG23))
( segid "A " and resid 19 and name HE% )
ASSI { 4015}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 16 and name H ))
3.500 1.500 1.500 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.19500E-02 ppm1 1.535 ppm2 7.063 CV 1
OR { 4015}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 16 and name H ))
OR { 4015}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 16 and name H ))
ASSI { 4016}
(( segid "A " and resid 15 and name HG22))
( segid "A " and resid 19 and name HD% )
2.700 0.900 0.900 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.39861E-02 ppm1 1.535 ppm2 7.406 CV 1
OR { 4016}
(( segid "A " and resid 15 and name HG23))
( segid "A " and resid 19 and name HD% )
OR { 4016}
(( segid "A " and resid 15 and name HG21))
( segid "A " and resid 19 and name HD% )
ASSI { 4017}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 18 and name H ))
4.000 2.100 2.000 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 1.534 ppm2 7.774 CV 1
OR { 4017}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 18 and name H ))
OR { 4017}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 18 and name H ))
ASSI { 4020}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 15 and name H ))
3.400 1.400 1.400 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 1.535 ppm2 8.619 CV 1
OR { 4020}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 15 and name H ))
OR { 4020}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 15 and name H ))
ASSI { 4022}
(( segid "A " and resid 15 and name HG23))
( segid "A " and resid 75 and name HE% )
4.000 2.000 2.000 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 1.535 ppm2 6.698 CV 1
OR { 4022}
(( segid "A " and resid 15 and name HG22))
( segid "A " and resid 75 and name HE% )
OR { 4022}
(( segid "A " and resid 15 and name HG21))
( segid "A " and resid 75 and name HE% )
ASSI { 4025}
(( segid "A " and resid 15 and name HG23))
(( segid "B " and resid 5 and name HD11))
2.800 1.000 1.000 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.12136E-01 ppm1 1.537 ppm2 1.080 CV 1
OR { 4025}
(( segid "A " and resid 15 and name HG23))
(( segid "B " and resid 5 and name HD12))
OR { 4025}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 5 and name HD12))
OR { 4025}
(( segid "A " and resid 15 and name HG23))
(( segid "B " and resid 5 and name HD13))
OR { 4025}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 5 and name HD11))
OR { 4025}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 5 and name HD13))
OR { 4025}
(( segid "A " and resid 15 and name HG22))
(( segid "B " and resid 5 and name HD11))
OR { 4025}
(( segid "A " and resid 15 and name HG22))
(( segid "B " and resid 5 and name HD12))
ASSI { 4026}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 37 and name HD11))
2.300 0.700 0.700 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.92665E-02 ppm1 1.535 ppm2 0.905 CV 1
OR { 4026}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 37 and name HD11))
OR { 4026}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 37 and name HD12))
OR { 4026}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 37 and name HD12))
OR { 4026}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 37 and name HD11))
OR { 4026}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 37 and name HD12))
OR { 4026}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 37 and name HD13))
OR { 4026}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 37 and name HD13))
ASSI { 4027}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name H ))
2.700 0.900 0.900 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.33729E-02 ppm1 4.151 ppm2 9.084 CV 1
ASSI { 4029}
(( segid "B " and resid 14 and name HA ))
( segid "A " and resid 90 and name HE% )
3.300 1.300 1.300 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.13641E-02 ppm1 4.150 ppm2 7.150 CV 1
ASSI { 4032}
(( segid "B " and resid 13 and name HA ))
( segid "B " and resid 72 and name HE% )
2.800 1.000 1.000 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.41423E-02 ppm1 4.082 ppm2 7.003 CV 1
ASSI { 4033}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 72 and name HZ ))
3.300 1.400 1.400 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.31365E-02 ppm1 4.079 ppm2 6.924 CV 1
ASSI { 4035}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 14 and name H ))
3.900 1.900 1.900 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.49030E-03 ppm1 4.063 ppm2 8.876 CV 1
ASSI { 4048}
(( segid "B " and resid 13 and name HG13))
( segid "B " and resid 72 and name HE% )
2.800 1.000 1.000 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.67239E-02 ppm1 1.279 ppm2 7.004 CV 1
OR { 4048}
(( segid "B " and resid 13 and name HG11))
( segid "B " and resid 72 and name HE% )
OR { 4048}
(( segid "B " and resid 13 and name HG12))
( segid "B " and resid 72 and name HE% )
ASSI { 4049}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 72 and name HZ ))
2.100 0.500 0.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 1.280 ppm2 6.922 CV 1
OR { 4049}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 72 and name HZ ))
OR { 4049}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 72 and name HZ ))
ASSI { 4050}
(( segid "B " and resid 13 and name HG11))
(( segid "B " and resid 13 and name H ))
2.200 0.600 0.600 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.96132E-02 ppm1 1.273 ppm2 8.308 CV 1
OR { 4050}
(( segid "B " and resid 13 and name HG12))
(( segid "B " and resid 13 and name H ))
OR { 4050}
(( segid "B " and resid 13 and name HG13))
(( segid "B " and resid 13 and name H ))
ASSI { 4051}
(( segid "B " and resid 13 and name HG11))
(( segid "B " and resid 14 and name H ))
3.600 1.600 1.600 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.28331E-02 ppm1 1.273 ppm2 9.086 CV 1
OR { 4051}
(( segid "B " and resid 13 and name HG12))
(( segid "B " and resid 14 and name H ))
OR { 4051}
(( segid "B " and resid 13 and name HG13))
(( segid "B " and resid 14 and name H ))
ASSI { 4052}
(( segid "B " and resid 13 and name HG11))
(( segid "A " and resid 83 and name H ))
4.300 2.300 1.700 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 1.273 ppm2 8.976 CV 1
OR { 4052}
(( segid "B " and resid 13 and name HG12))
(( segid "A " and resid 83 and name H ))
OR { 4052}
(( segid "B " and resid 13 and name HG13))
(( segid "A " and resid 83 and name H ))
ASSI { 4053}
(( segid "B " and resid 13 and name HG12))
(( segid "A " and resid 87 and name H ))
2.700 0.900 0.900 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.40274E-02 ppm1 1.271 ppm2 8.674 CV 1
OR { 4053}
(( segid "B " and resid 13 and name HG13))
(( segid "A " and resid 87 and name H ))
OR { 4053}
(( segid "B " and resid 13 and name HG11))
(( segid "A " and resid 87 and name H ))
ASSI { 4054}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 13 and name H ))
2.200 0.600 0.600 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.10671E-01 ppm1 1.284 ppm2 8.445 CV 1
OR { 4054}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 13 and name H ))
OR { 4054}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 13 and name H ))
ASSI { 4055}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 87 and name H ))
3.300 1.400 1.400 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.25730E-02 ppm1 1.283 ppm2 8.591 CV 1
OR { 4055}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 87 and name H ))
OR { 4055}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 87 and name H ))
ASSI { 4056}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 14 and name H ))
3.700 1.700 1.700 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.27724E-02 ppm1 1.284 ppm2 8.872 CV 1
OR { 4056}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 14 and name H ))
OR { 4056}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 14 and name H ))
ASSI { 4058}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 86 and name H ))
3.400 1.400 1.400 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 1.288 ppm2 8.330 CV 1
OR { 4058}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 86 and name H ))
OR { 4058}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 86 and name H ))
ASSI { 4060}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 10 and name HA ))
3.500 1.500 1.500 peak 4060 spectrum 1 weight 0.10000E+01 volume 0.22955E-02 ppm1 1.281 ppm2 4.573 CV 1
OR { 4060}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 10 and name HA ))
OR { 4060}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 10 and name HA ))
ASSI { 4062}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 86 and name HB2 ))
3.400 1.400 1.400 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.28937E-02 ppm1 1.284 ppm2 3.428 CV 1
OR { 4062}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 86 and name HB2 ))
OR { 4062}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 86 and name HB2 ))
ASSI { 4063}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 1.283 ppm2 2.574 CV 1
OR { 4063}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name HB2 ))
OR { 4063}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 4064}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 83 and name HA ))
2.900 1.100 1.100 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.30346E-02 ppm1 1.284 ppm2 3.955 CV 1
OR { 4064}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 83 and name HA ))
OR { 4064}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 83 and name HA ))
ASSI { 4065}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 83 and name HB3 ))
2.200 0.600 0.600 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.14291E-01 ppm1 1.279 ppm2 1.744 CV 1
OR { 4065}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 83 and name HB3 ))
OR { 4065}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 83 and name HB3 ))
OR { 4065}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 83 and name HB2 ))
OR { 4065}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 83 and name HB2 ))
OR { 4065}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 83 and name HB2 ))
OR { 4065}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 83 and name HB1 ))
OR { 4065}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 83 and name HB1 ))
OR { 4065}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 83 and name HB1 ))
ASSI { 4068}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 86 and name HB3 ))
2.400 0.700 0.700 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.53582E-02 ppm1 1.278 ppm2 3.080 CV 1
OR { 4068}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 86 and name HB3 ))
OR { 4068}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 86 and name HB3 ))
ASSI { 4071}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 13 and name HG23))
1.900 0.500 0.500 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.31669E-01 ppm1 1.279 ppm2 0.852 CV 1
OR { 4071}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 13 and name HG21))
OR { 4071}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 13 and name HG21))
OR { 4071}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 13 and name HG23))
OR { 4071}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 13 and name HG23))
OR { 4071}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 13 and name HG21))
OR { 4071}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 13 and name HG22))
OR { 4071}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 13 and name HG22))
ASSI { 4072}
(( segid "B " and resid 13 and name HG11))
(( segid "A " and resid 83 and name HA ))
2.500 0.800 0.800 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 1.274 ppm2 3.879 CV 1
OR { 4072}
(( segid "B " and resid 13 and name HG12))
(( segid "A " and resid 83 and name HA ))
OR { 4072}
(( segid "B " and resid 13 and name HG13))
(( segid "A " and resid 83 and name HA ))
ASSI { 4073}
(( segid "B " and resid 13 and name HG12))
(( segid "B " and resid 10 and name HA ))
3.600 1.600 1.600 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.21273E-02 ppm1 1.274 ppm2 4.589 CV 1
OR { 4073}
(( segid "B " and resid 13 and name HG11))
(( segid "B " and resid 10 and name HA ))
OR { 4073}
(( segid "B " and resid 13 and name HG13))
(( segid "B " and resid 10 and name HA ))
ASSI { 4074}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 16 and name HB2 ))
3.100 1.200 1.200 peak 4074 spectrum 1 weight 0.10000E+01 volume 0.57679E-02 ppm1 1.268 ppm2 3.057 CV 1
OR { 4074}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 16 and name HB2 ))
OR { 4074}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 16 and name HB2 ))
ASSI { 4080}
(( segid "B " and resid 13 and name HG23))
(( segid "A " and resid 86 and name HB2 ))
4.100 2.100 1.900 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.92665E-03 ppm1 0.853 ppm2 3.239 CV 1
OR { 4080}
(( segid "B " and resid 13 and name HG21))
(( segid "A " and resid 86 and name HB2 ))
OR { 4080}
(( segid "B " and resid 13 and name HG22))
(( segid "A " and resid 86 and name HB2 ))
ASSI { 4081}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 10 and name HB2 ))
2.100 2.100 3.900 peak 4081 spectrum 1 weight 0.10000E+01 volume 0.36264E-02 ppm1 0.852 ppm2 3.041 CV 1
OR { 4081}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 10 and name HB2 ))
OR { 4081}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 10 and name HB2 ))
ASSI { 4082}
(( segid "A " and resid 13 and name HG23))
(( segid "B " and resid 90 and name HB3 ))
3.000 1.100 1.100 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.26163E-02 ppm1 0.854 ppm2 2.962 CV 1
OR { 4082}
(( segid "A " and resid 13 and name HG22))
(( segid "B " and resid 90 and name HB3 ))
OR { 4082}
(( segid "A " and resid 13 and name HG21))
(( segid "B " and resid 90 and name HB3 ))
ASSI { 4088}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 13 and name HA ))
2.600 0.800 0.800 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.12227E-01 ppm1 0.853 ppm2 4.087 CV 1
OR { 4088}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 13 and name HA ))
OR { 4088}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 13 and name HA ))
ASSI { 4089}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 14 and name HA ))
2.900 1.000 1.000 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.32515E-02 ppm1 0.855 ppm2 4.148 CV 1
OR { 4089}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 14 and name HA ))
OR { 4089}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 14 and name HA ))
ASSI { 4090}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 14 and name H ))
2.700 0.900 0.900 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 0.855 ppm2 9.085 CV 1
OR { 4090}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 14 and name H ))
OR { 4090}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 14 and name H ))
ASSI { 4091}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 14 and name H ))
2.700 0.900 0.900 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.29458E-02 ppm1 0.851 ppm2 8.873 CV 1
OR { 4091}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 14 and name H ))
OR { 4091}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 14 and name H ))
ASSI { 4093}
(( segid "A " and resid 13 and name HG23))
(( segid "B " and resid 87 and name H ))
3.800 1.800 1.800 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 0.852 ppm2 8.595 CV 1
OR { 4093}
(( segid "A " and resid 13 and name HG21))
(( segid "B " and resid 87 and name H ))
OR { 4093}
(( segid "A " and resid 13 and name HG22))
(( segid "B " and resid 87 and name H ))
ASSI { 4094}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 13 and name H ))
2.500 0.800 0.800 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.36090E-02 ppm1 0.852 ppm2 8.444 CV 1
OR { 4094}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 13 and name H ))
OR { 4094}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 13 and name H ))
ASSI { 4095}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 13 and name H ))
2.500 0.800 0.800 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.33229E-02 ppm1 0.855 ppm2 8.309 CV 1
OR { 4095}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 13 and name H ))
OR { 4095}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 13 and name H ))
ASSI { 4097}
(( segid "A " and resid 13 and name HG23))
(( segid "B " and resid 90 and name H ))
3.600 1.700 1.700 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 0.854 ppm2 7.736 CV 1
OR { 4097}
(( segid "A " and resid 13 and name HG22))
(( segid "B " and resid 90 and name H ))
OR { 4097}
(( segid "A " and resid 13 and name HG21))
(( segid "B " and resid 90 and name H ))
ASSI { 4098}
(( segid "B " and resid 13 and name HG23))
(( segid "A " and resid 90 and name H ))
2.600 2.600 3.400 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.10472E-02 ppm1 0.857 ppm2 7.572 CV 1
OR { 4098}
(( segid "B " and resid 13 and name HG22))
(( segid "A " and resid 90 and name H ))
ASSI { 4099}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 17 and name HD2 ))
3.100 1.200 1.200 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.37739E-02 ppm1 0.851 ppm2 7.404 CV 1
OR { 4099}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 17 and name HD2 ))
OR { 4099}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 17 and name HD2 ))
ASSI { 4100}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 17 and name HD2 ))
2.900 2.900 3.100 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.45217E-02 ppm1 0.855 ppm2 7.306 CV 1
OR { 4100}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 17 and name HD2 ))
OR { 4100}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 17 and name HD2 ))
ASSI { 4108}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HB3 ))
2.400 0.700 0.700 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 4.048 ppm2 2.398 CV 1
OR { 4108}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HG3 ))
OR { 4108}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 4110}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 11 and name HG22))
3.400 1.500 1.500 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 4.053 ppm2 0.940 CV 1
OR { 4110}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 11 and name HG23))
OR { 4110}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 11 and name HG21))
ASSI { 4111}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 79 and name HD12))
3.500 1.600 1.600 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 4.044 ppm2 0.463 CV 1
OR { 4111}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 79 and name HD23))
OR { 4111}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 79 and name HD22))
OR { 4111}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 79 and name HD11))
OR { 4111}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 79 and name HD13))
ASSI { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD23))
4.000 2.000 2.000 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 2.404 ppm2 1.051 CV 1
OR { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD21))
OR { 4114}
(( segid "B " and resid 12 and name HB2 ))
(( segid "A " and resid 5 and name HD23))
OR { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD22))
OR { 4114}
(( segid "B " and resid 12 and name HB2 ))
(( segid "A " and resid 5 and name HD21))
OR { 4114}
(( segid "B " and resid 12 and name HB2 ))
(( segid "A " and resid 5 and name HD22))
OR { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD11))
OR { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD13))
OR { 4114}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 5 and name HD12))
ASSI { 4115}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 79 and name HD11))
3.600 1.600 1.600 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.12154E-02 ppm1 2.400 ppm2 0.463 CV 1
OR { 4115}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 79 and name HD12))
OR { 4115}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 79 and name HD13))
OR { 4115}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 79 and name HD23))
OR { 4115}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 79 and name HD12))
OR { 4115}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 79 and name HD11))
OR { 4115}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 79 and name HD23))
OR { 4115}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 79 and name HD22))
OR { 4115}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 79 and name HD13))
ASSI { 4117}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 13 and name HG11))
3.300 1.400 1.400 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.16164E-02 ppm1 2.400 ppm2 1.273 CV 1
OR { 4117}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 13 and name HG12))
OR { 4117}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 13 and name HG11))
OR { 4117}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 13 and name HG13))
OR { 4117}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 13 and name HG13))
OR { 4117}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 13 and name HG12))
ASSI { 4118}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 12 and name HA ))
2.600 0.800 0.800 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.29002E-02 ppm1 2.399 ppm2 4.053 CV 1
OR { 4118}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 12 and name HA ))
ASSI { 4119}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 9 and name HA ))
2.700 0.900 0.900 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 2.402 ppm2 4.145 CV 1
OR { 4119}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 9 and name HA ))
ASSI { 4120}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 13 and name H ))
2.600 0.800 0.800 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 2.398 ppm2 8.307 CV 1
OR { 4120}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 13 and name H ))
ASSI { 4121}
(( segid "B " and resid 12 and name HB2 ))
(( segid "B " and resid 12 and name H ))
2.400 0.700 0.700 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.39341E-02 ppm1 2.401 ppm2 8.671 CV 1
OR { 4121}
(( segid "B " and resid 12 and name HB3 ))
(( segid "B " and resid 12 and name H ))
ASSI { 4122}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 12 and name H ))
3.300 1.400 1.400 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.23280E-02 ppm1 2.697 ppm2 8.671 CV 1
ASSI { 4124}
(( segid "B " and resid 12 and name HB2 ))
(( segid "A " and resid 83 and name H ))
4.100 2.100 1.900 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 2.404 ppm2 8.973 CV 1
OR { 4124}
(( segid "B " and resid 12 and name HB3 ))
(( segid "A " and resid 83 and name H ))
ASSI { 4125}
(( segid "B " and resid 12 and name HG2 ))
( segid "B " and resid 75 and name HE% )
3.900 1.900 1.900 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.57160E-03 ppm1 2.700 ppm2 6.653 CV 1
ASSI { 4128}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 12 and name HA ))
2.700 0.900 0.900 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 2.703 ppm2 4.045 CV 1
ASSI { 4129}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 12 and name HG3 ))
1.500 0.300 0.700 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.13140E-01 ppm1 2.698 ppm2 2.399 CV 1
OR { 4129}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 12 and name HB3 ))
OR { 4129}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD23))
3.500 1.600 1.600 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.16957E-02 ppm1 2.697 ppm2 1.055 CV 1
OR { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD21))
OR { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD22))
OR { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD11))
OR { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD13))
OR { 4131}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 5 and name HD12))
ASSI { 4132}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 79 and name HD23))
2.300 0.700 0.700 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.23800E-02 ppm1 2.695 ppm2 0.469 CV 1
OR { 4132}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 79 and name HD11))
OR { 4132}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 79 and name HD12))
OR { 4132}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 79 and name HD13))
OR { 4132}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 79 and name HD22))
ASSI { 4133}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 79 and name HD23))
3.100 1.200 1.200 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.25318E-02 ppm1 2.396 ppm2 0.471 CV 1
OR { 4133}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 79 and name HD22))
OR { 4133}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 79 and name HD12))
OR { 4133}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 79 and name HD11))
OR { 4133}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 79 and name HD21))
ASSI { 4134}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 5 and name HD21))
3.300 1.400 1.400 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 2.396 ppm2 1.057 CV 1
OR { 4134}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 5 and name HD23))
OR { 4134}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 5 and name HD22))
OR { 4134}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 5 and name HD13))
OR { 4134}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 5 and name HD11))
ASSI { 4136}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 12 and name HG2 ))
1.500 0.300 0.700 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.81936E-02 ppm1 2.396 ppm2 2.698 CV 1
ASSI { 4138}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 12 and name HA ))
2.700 0.900 0.900 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.26727E-02 ppm1 2.394 ppm2 4.055 CV 1
ASSI { 4140}
(( segid "B " and resid 12 and name HG3 ))
( segid "B " and resid 75 and name HE% )
4.500 2.500 1.500 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.84558E-03 ppm1 2.392 ppm2 6.655 CV 1
ASSI { 4141}
(( segid "B " and resid 12 and name HG3 ))
(( segid "B " and resid 12 and name H ))
2.500 0.800 0.800 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 2.394 ppm2 8.669 CV 1
ASSI { 4142}
(( segid "B " and resid 12 and name HG3 ))
(( segid "A " and resid 83 and name H ))
4.000 2.000 2.000 peak 4142 spectrum 1 weight 0.10000E+01 volume 0.91192E-03 ppm1 2.403 ppm2 8.982 CV 1
ASSI { 4144}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD23))
1.900 0.400 0.400 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.29219E-01 ppm1 1.878 ppm2 0.469 CV 1
OR { 4144}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD23))
OR { 4144}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD11))
OR { 4144}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD21))
OR { 4144}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD23))
OR { 4144}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD11))
OR { 4144}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD21))
OR { 4144}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD12))
OR { 4144}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD22))
OR { 4144}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD12))
OR { 4144}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD22))
OR { 4144}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD21))
OR { 4144}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD22))
ASSI { 4150}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HG ))
3.800 1.800 1.800 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 1.879 ppm2 1.217 CV 1
OR { 4150}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HG ))
OR { 4150}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HG ))
ASSI { 4151}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HB2 ))
2.700 0.900 0.900 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.43806E-02 ppm1 1.879 ppm2 1.432 CV 1
OR { 4151}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HB2 ))
OR { 4151}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HB2 ))
ASSI { 4152}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HG3 ))
1.900 1.900 4.100 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.30585E-01 ppm1 1.878 ppm2 2.399 CV 1
OR { 4152}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name HG3 ))
OR { 4152}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HG3 ))
OR { 4152}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name HB3 ))
OR { 4152}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HB3 ))
OR { 4152}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 4153}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HG2 ))
1.900 0.500 0.500 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.12631E-01 ppm1 1.878 ppm2 2.697 CV 1
OR { 4153}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name HG2 ))
OR { 4153}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 4154}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 76 and name HB3 ))
3.300 1.400 1.400 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.34704E-02 ppm1 1.879 ppm2 2.588 CV 1
OR { 4154}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 76 and name HB3 ))
OR { 4154}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 76 and name HB3 ))
ASSI { 4155}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 76 and name HA ))
2.700 2.700 3.300 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.10120E-01 ppm1 1.878 ppm2 3.560 CV 1
OR { 4155}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 76 and name HA ))
OR { 4155}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 76 and name HA ))
ASSI { 4157}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HA ))
3.300 1.300 1.300 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.60627E-02 ppm1 1.878 ppm2 3.294 CV 1
OR { 4157}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HA ))
OR { 4157}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HA ))
ASSI { 4158}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 76 and name HB2 ))
4.100 2.100 1.900 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 1.878 ppm2 3.116 CV 1
OR { 4158}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 76 and name HB2 ))
OR { 4158}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 76 and name HB2 ))
ASSI { 4160}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HA ))
3.600 1.700 1.700 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 1.877 ppm2 4.056 CV 1
OR { 4160}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name HA ))
OR { 4160}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HA ))
ASSI { 4161}
(( segid "B " and resid 12 and name HE3 ))
(( segid "A " and resid 80 and name HA ))
2.000 0.500 0.500 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.88416E-02 ppm1 1.878 ppm2 3.960 CV 1
OR { 4161}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 80 and name HA ))
OR { 4161}
(( segid "B " and resid 12 and name HE1 ))
(( segid "A " and resid 80 and name HA ))
ASSI { 4162}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 80 and name HA ))
3.400 1.400 1.400 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 1.878 ppm2 3.877 CV 1
OR { 4162}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 80 and name HA ))
OR { 4162}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 80 and name HA ))
ASSI { 4163}
(( segid "B " and resid 12 and name HE3 ))
(( segid "A " and resid 80 and name HB2 ))
3.500 1.600 1.600 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 1.879 ppm2 4.263 CV 1
OR { 4163}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 80 and name HB2 ))
OR { 4163}
(( segid "B " and resid 12 and name HE1 ))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 4166}
(( segid "B " and resid 12 and name HE3 ))
( segid "B " and resid 75 and name HE% )
3.700 1.700 1.700 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 1.878 ppm2 6.652 CV 1
OR { 4166}
(( segid "B " and resid 12 and name HE1 ))
( segid "B " and resid 75 and name HE% )
OR { 4166}
(( segid "B " and resid 12 and name HE2 ))
( segid "B " and resid 75 and name HE% )
ASSI { 4168}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name H ))
3.600 1.600 1.600 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.28764E-02 ppm1 1.878 ppm2 8.670 CV 1
OR { 4168}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name H ))
OR { 4168}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name H ))
ASSI { 4170}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 83 and name H ))
2.800 1.000 1.000 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.37000E-02 ppm1 1.878 ppm2 8.975 CV 1
OR { 4170}
(( segid "B " and resid 12 and name HE3 ))
(( segid "A " and resid 83 and name H ))
OR { 4170}
(( segid "B " and resid 12 and name HE1 ))
(( segid "A " and resid 83 and name H ))
ASSI { 4171}
(( segid "B " and resid 12 and name HE3 ))
(( segid "A " and resid 84 and name H ))
3.700 1.700 1.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.14313E-02 ppm1 1.879 ppm2 8.928 CV 1
OR { 4171}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 84 and name H ))
OR { 4171}
(( segid "B " and resid 12 and name HE1 ))
(( segid "A " and resid 84 and name H ))
ASSI { 4172}
(( segid "B " and resid 12 and name HE3 ))
(( segid "B " and resid 76 and name H ))
3.100 3.100 2.900 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.33813E-02 ppm1 1.879 ppm2 8.315 CV 1
OR { 4172}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 76 and name H ))
OR { 4172}
(( segid "B " and resid 12 and name HE1 ))
(( segid "B " and resid 76 and name H ))
ASSI { 4173}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 80 and name H ))
3.000 1.100 1.100 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.30845E-02 ppm1 1.879 ppm2 8.267 CV 1
OR { 4173}
(( segid "B " and resid 12 and name HE3 ))
(( segid "A " and resid 80 and name H ))
OR { 4173}
(( segid "B " and resid 12 and name HE1 ))
(( segid "A " and resid 80 and name H ))
ASSI { 4178}
(( segid "B " and resid 12 and name HA ))
( segid "B " and resid 75 and name HE% )
3.300 1.300 1.300 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.75714E-03 ppm1 4.051 ppm2 6.655 CV 1
ASSI { 4180}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HB3 ))
2.900 1.000 1.000 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.13552E-02 ppm1 4.061 ppm2 2.199 CV 1
ASSI { 4183}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HB2 ))
3.300 1.400 1.400 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.069 ppm2 2.578 CV 1
ASSI { 4184}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 11 and name HG22))
3.600 1.600 1.600 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 4.069 ppm2 0.943 CV 1
OR { 4184}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 11 and name HG23))
OR { 4184}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 11 and name HG21))
ASSI { 4186}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 9 and name HA ))
3.000 1.100 1.100 peak 4186 spectrum 1 weight 0.10000E+01 volume 0.87831E-03 ppm1 2.577 ppm2 4.266 CV 1
ASSI { 4191}
(( segid "A " and resid 12 and name HB3 ))
(( segid "A " and resid 13 and name H ))
3.500 1.600 1.600 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.98040E-03 ppm1 2.206 ppm2 8.451 CV 1
ASSI { 4193}
(( segid "A " and resid 12 and name HB2 ))
(( segid "A " and resid 13 and name H ))
2.700 0.900 0.900 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.99144E-03 ppm1 2.578 ppm2 8.450 CV 1
ASSI { 4194}
(( segid "A " and resid 12 and name HB3 ))
(( segid "A " and resid 9 and name HA ))
4.300 2.300 1.700 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.77945E-03 ppm1 2.203 ppm2 4.260 CV 1
ASSI { 4196}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HB2 ))
3.200 1.300 1.300 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.13378E-02 ppm1 2.839 ppm2 2.566 CV 1
ASSI { 4198}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HB3 ))
2.600 0.900 0.900 peak 4198 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 2.845 ppm2 2.196 CV 1
ASSI { 4202}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 11 and name HG22))
4.300 2.400 1.700 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.58590E-03 ppm1 2.843 ppm2 0.955 CV 1
OR { 4202}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 11 and name HG23))
OR { 4202}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 11 and name HG21))
ASSI { 4205}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 79 and name HD11))
2.600 0.900 0.900 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.13218E-02 ppm1 2.840 ppm2 0.564 CV 1
OR { 4205}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 79 and name HD13))
OR { 4205}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 79 and name HD12))
ASSI { 4206}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 9 and name HA ))
3.900 1.900 1.900 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.85817E-03 ppm1 2.848 ppm2 4.265 CV 1
ASSI { 4207}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name HA ))
2.800 1.000 1.000 peak 4207 spectrum 1 weight 0.10000E+01 volume 0.16168E-02 ppm1 2.844 ppm2 4.082 CV 1
ASSI { 4208}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 13 and name H ))
4.400 2.400 1.600 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.79485E-03 ppm1 2.845 ppm2 8.454 CV 1
ASSI { 4209}
(( segid "A " and resid 12 and name HG2 ))
(( segid "A " and resid 12 and name H ))
3.500 1.500 1.500 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.19391E-02 ppm1 2.837 ppm2 8.798 CV 1
ASSI { 4213}
(( segid "A " and resid 12 and name HG3 ))
(( segid "B " and resid 5 and name HD21))
3.400 1.400 1.400 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.18483E-02 ppm1 2.384 ppm2 1.098 CV 1
OR { 4213}
(( segid "A " and resid 12 and name HG3 ))
(( segid "B " and resid 5 and name HD23))
OR { 4213}
(( segid "A " and resid 12 and name HG3 ))
(( segid "B " and resid 5 and name HD22))
ASSI { 4214}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name HD12))
2.200 0.600 0.600 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.22456E-01 ppm1 1.891 ppm2 0.564 CV 1
OR { 4214}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name HD11))
OR { 4214}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name HD11))
OR { 4214}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name HD13))
OR { 4214}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name HD12))
OR { 4214}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name HD13))
OR { 4214}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 79 and name HD11))
OR { 4214}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 79 and name HD12))
ASSI { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD21))
2.600 0.900 0.900 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.89413E-02 ppm1 1.892 ppm2 0.458 CV 1
OR { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD23))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD21))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD23))
OR { 4215}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD21))
OR { 4215}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD23))
OR { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD22))
OR { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD11))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD22))
OR { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD12))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD11))
OR { 4215}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 79 and name HD13))
OR { 4215}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD22))
OR { 4215}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD11))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD12))
OR { 4215}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 79 and name HD12))
OR { 4215}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 79 and name HD13))
ASSI { 4218}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name HB3 ))
2.300 0.700 0.700 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.77080E-02 ppm1 1.891 ppm2 1.051 CV 1
OR { 4218}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name HB3 ))
OR { 4218}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 79 and name HB3 ))
ASSI { 4222}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name HB3 ))
2.700 2.700 3.300 peak 4222 spectrum 1 weight 0.10000E+01 volume 0.87831E-02 ppm1 1.890 ppm2 2.198 CV 1
OR { 4222}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name HB3 ))
OR { 4222}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name HB3 ))
ASSI { 4223}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name HG3 ))
2.000 2.000 4.000 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.20802E-01 ppm1 1.892 ppm2 2.391 CV 1
OR { 4223}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name HG3 ))
OR { 4223}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name HG3 ))
ASSI { 4224}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name HB2 ))
2.800 2.800 3.200 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.88503E-02 ppm1 1.890 ppm2 2.570 CV 1
OR { 4224}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name HB2 ))
OR { 4224}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 4225}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HG2 ))
3.700 1.700 1.700 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 1.892 ppm2 2.698 CV 1
OR { 4225}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 12 and name HG2 ))
OR { 4225}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 4226}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name HG2 ))
2.000 0.500 0.500 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.11085E-01 ppm1 1.891 ppm2 2.842 CV 1
OR { 4226}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name HG2 ))
OR { 4226}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name HG2 ))
ASSI { 4229}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name HA ))
3.400 1.400 1.400 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.31994E-02 ppm1 1.892 ppm2 3.308 CV 1
OR { 4229}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name HA ))
OR { 4229}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 79 and name HA ))
ASSI { 4230}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 80 and name HA ))
2.600 0.900 0.900 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.36416E-02 ppm1 1.891 ppm2 3.885 CV 1
OR { 4230}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 80 and name HA ))
OR { 4230}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 80 and name HA ))
ASSI { 4232}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 80 and name HA ))
3.500 1.500 1.500 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 1.892 ppm2 3.945 CV 1
OR { 4232}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 80 and name HA ))
OR { 4232}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 80 and name HA ))
ASSI { 4233}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name HA ))
3.300 1.400 1.400 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.56097E-02 ppm1 1.892 ppm2 4.070 CV 1
OR { 4233}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name HA ))
OR { 4233}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name HA ))
ASSI { 4236}
(( segid "A " and resid 12 and name HE3 ))
( segid "A " and resid 78 and name HD% )
4.700 2.800 1.300 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.68495E-03 ppm1 1.892 ppm2 7.116 CV 1
OR { 4236}
(( segid "A " and resid 12 and name HE1 ))
( segid "A " and resid 78 and name HD% )
OR { 4236}
(( segid "A " and resid 12 and name HE2 ))
( segid "A " and resid 78 and name HD% )
ASSI { 4243}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 9 and name H ))
3.300 3.300 2.700 peak 4243 spectrum 1 weight 0.10000E+01 volume 0.21936E-02 ppm1 1.891 ppm2 7.744 CV 1
OR { 4243}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 9 and name H ))
OR { 4243}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 9 and name H ))
ASSI { 4244}
(( segid "A " and resid 12 and name HE2 ))
(( segid "B " and resid 80 and name H ))
3.300 1.300 1.300 peak 4244 spectrum 1 weight 0.10000E+01 volume 0.28395E-02 ppm1 1.891 ppm2 8.256 CV 1
OR { 4244}
(( segid "A " and resid 12 and name HE3 ))
(( segid "B " and resid 80 and name H ))
OR { 4244}
(( segid "A " and resid 12 and name HE1 ))
(( segid "B " and resid 80 and name H ))
ASSI { 4245}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 79 and name H ))
3.900 1.900 1.900 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 1.892 ppm2 8.164 CV 1
OR { 4245}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 79 and name H ))
OR { 4245}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 79 and name H ))
ASSI { 4246}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 80 and name H ))
3.100 1.200 1.200 peak 4246 spectrum 1 weight 0.10000E+01 volume 0.27095E-02 ppm1 1.892 ppm2 8.289 CV 1
OR { 4246}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 80 and name H ))
OR { 4246}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 80 and name H ))
ASSI { 4248}
(( segid "A " and resid 12 and name HE1 ))
(( segid "A " and resid 12 and name H ))
3.300 1.400 1.400 peak 4248 spectrum 1 weight 0.10000E+01 volume 0.51590E-02 ppm1 1.891 ppm2 8.804 CV 1
OR { 4248}
(( segid "A " and resid 12 and name HE3 ))
(( segid "A " and resid 12 and name H ))
OR { 4248}
(( segid "A " and resid 12 and name HE2 ))
(( segid "A " and resid 12 and name H ))
ASSI { 4252}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 11 and name H ))
2.700 0.900 0.900 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.20003E-02 ppm1 3.946 ppm2 8.529 CV 1
ASSI { 4256}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name H ))
2.700 0.900 0.900 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 3.939 ppm2 8.459 CV 1
ASSI { 4260}
(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 11 and name H ))
2.700 0.900 0.900 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.33490E-02 ppm1 0.939 ppm2 8.530 CV 1
OR { 4260}
(( segid "B " and resid 11 and name HG21))
(( segid "B " and resid 11 and name H ))
OR { 4260}
(( segid "B " and resid 11 and name HG23))
(( segid "B " and resid 11 and name H ))
ASSI { 4262}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 11 and name H ))
2.600 0.800 0.800 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.38973E-02 ppm1 0.954 ppm2 8.456 CV 1
OR { 4262}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 11 and name H ))
OR { 4262}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 11 and name H ))
ASSI { 4265}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 15 and name H ))
3.800 1.800 1.800 peak 4265 spectrum 1 weight 0.10000E+01 volume 0.19257E-02 ppm1 0.955 ppm2 8.621 CV 1
OR { 4265}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 15 and name H ))
OR { 4265}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 15 and name H ))
ASSI { 4266}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 12 and name H ))
2.700 0.900 0.900 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.25187E-02 ppm1 0.955 ppm2 8.799 CV 1
OR { 4266}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 12 and name H ))
OR { 4266}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 12 and name H ))
ASSI { 4267}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 12 and name H ))
3.300 1.300 1.300 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 3.952 ppm2 8.673 CV 1
ASSI { 4268}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 15 and name H ))
3.100 1.200 1.200 peak 4268 spectrum 1 weight 0.10000E+01 volume 0.76689E-03 ppm1 3.948 ppm2 8.637 CV 1
ASSI { 4269}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 12 and name H ))
3.300 1.400 1.400 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 3.945 ppm2 8.799 CV 1
ASSI { 4271}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 14 and name HA ))
3.800 1.800 1.800 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.26466E-02 ppm1 3.943 ppm2 4.143 CV 1
ASSI { 4275}
(( segid "B " and resid 11 and name HB ))
(( segid "B " and resid 11 and name H ))
3.100 1.200 1.200 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.26120E-02 ppm1 2.371 ppm2 8.533 CV 1
ASSI { 4276}
(( segid "A " and resid 11 and name HB ))
(( segid "A " and resid 11 and name H ))
3.000 1.100 1.100 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.29870E-02 ppm1 2.376 ppm2 8.456 CV 1
ASSI { 4277}
(( segid "B " and resid 11 and name HB ))
(( segid "B " and resid 12 and name H ))
3.400 1.400 1.400 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 2.372 ppm2 8.674 CV 1
ASSI { 4282}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 7 and name HG3 ))
3.200 1.200 1.200 peak 4282 spectrum 1 weight 0.10000E+01 volume 0.46495E-02 ppm1 1.260 ppm2 1.619 CV 1
OR { 4282}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 7 and name HG3 ))
OR { 4282}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 7 and name HG3 ))
OR { 4282}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 7 and name HG2 ))
OR { 4282}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 7 and name HG2 ))
OR { 4282}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 7 and name HG2 ))
ASSI { 4288}
(( segid "B " and resid 11 and name HG13))
(( segid "B " and resid 11 and name HB ))
1.700 0.300 0.500 peak 4288 spectrum 1 weight 0.10000E+01 volume 0.36609E-01 ppm1 1.259 ppm2 2.374 CV 1
OR { 4288}
(( segid "B " and resid 11 and name HG11))
(( segid "B " and resid 11 and name HB ))
OR { 4288}
(( segid "B " and resid 11 and name HG12))
(( segid "B " and resid 11 and name HB ))
ASSI { 4292}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 11 and name HA ))
1.900 0.400 0.400 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.29154E-01 ppm1 1.258 ppm2 3.944 CV 1
OR { 4292}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 11 and name HA ))
OR { 4292}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 11 and name HA ))
ASSI { 4297}
(( segid "B " and resid 11 and name HG12))
(( segid "B " and resid 10 and name HA ))
3.900 1.900 1.900 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.13108E-02 ppm1 1.261 ppm2 4.588 CV 1
OR { 4297}
(( segid "B " and resid 11 and name HG11))
(( segid "B " and resid 10 and name HA ))
OR { 4297}
(( segid "B " and resid 11 and name HG13))
(( segid "B " and resid 10 and name HA ))
ASSI { 4300}
(( segid "B " and resid 11 and name HG12))
(( segid "B " and resid 10 and name H ))
3.400 1.400 1.400 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.27572E-02 ppm1 1.259 ppm2 7.806 CV 1
OR { 4300}
(( segid "B " and resid 11 and name HG11))
(( segid "B " and resid 10 and name H ))
OR { 4300}
(( segid "B " and resid 11 and name HG13))
(( segid "B " and resid 10 and name H ))
ASSI { 4301}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 10 and name H ))
3.300 1.400 1.400 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.29284E-02 ppm1 1.258 ppm2 7.755 CV 1
OR { 4301}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 10 and name H ))
OR { 4301}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 10 and name H ))
ASSI { 4303}
(( segid "B " and resid 11 and name HG12))
(( segid "B " and resid 11 and name H ))
2.000 0.500 0.500 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.16162E-01 ppm1 1.259 ppm2 8.530 CV 1
OR { 4303}
(( segid "B " and resid 11 and name HG11))
(( segid "B " and resid 11 and name H ))
OR { 4303}
(( segid "B " and resid 11 and name HG13))
(( segid "B " and resid 11 and name H ))
ASSI { 4304}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 11 and name H ))
2.000 0.500 0.500 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.15611E-01 ppm1 1.257 ppm2 8.458 CV 1
OR { 4304}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 11 and name H ))
OR { 4304}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 11 and name H ))
ASSI { 4305}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 14 and name H ))
4.400 2.400 1.600 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.79682E-03 ppm1 1.255 ppm2 8.879 CV 1
OR { 4305}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 14 and name H ))
OR { 4305}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 14 and name H ))
ASSI { 4306}
(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 12 and name H ))
3.300 1.400 1.400 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.33532E-02 ppm1 1.257 ppm2 8.800 CV 1
OR { 4306}
(( segid "A " and resid 11 and name HG11))
(( segid "A " and resid 12 and name H ))
OR { 4306}
(( segid "A " and resid 11 and name HG13))
(( segid "A " and resid 12 and name H ))
ASSI { 4307}
(( segid "B " and resid 11 and name HG12))
(( segid "B " and resid 12 and name H ))
3.200 1.300 1.300 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.46583E-02 ppm1 1.261 ppm2 8.674 CV 1
OR { 4307}
(( segid "B " and resid 11 and name HG11))
(( segid "B " and resid 12 and name H ))
OR { 4307}
(( segid "B " and resid 11 and name HG13))
(( segid "B " and resid 12 and name H ))
ASSI { 4313}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 5 and name HD21))
2.400 0.700 0.700 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.91971E-02 ppm1 0.938 ppm2 1.053 CV 1
OR { 4313}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 5 and name HD21))
OR { 4313}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 5 and name HD21))
OR { 4313}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 5 and name HD22))
OR { 4313}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 5 and name HD22))
OR { 4313}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 5 and name HD23))
OR { 4313}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 5 and name HD22))
OR { 4313}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 5 and name HD23))
OR { 4313}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 5 and name HD23))
ASSI { 4314}
(( segid "A " and resid 11 and name HG23))
(( segid "B " and resid 5 and name HD21))
2.300 0.600 0.600 peak 4314 spectrum 1 weight 0.10000E+01 volume 0.99429E-02 ppm1 0.954 ppm2 1.100 CV 1
OR { 4314}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 5 and name HD21))
OR { 4314}
(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 5 and name HD21))
OR { 4314}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 5 and name HD22))
OR { 4314}
(( segid "A " and resid 11 and name HG23))
(( segid "B " and resid 5 and name HD22))
OR { 4314}
(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 5 and name HD22))
OR { 4314}
(( segid "A " and resid 11 and name HG23))
(( segid "B " and resid 5 and name HD23))
OR { 4314}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 5 and name HD23))
ASSI { 4320}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 4 and name HA ))
3.000 1.100 1.100 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.54473E-02 ppm1 0.934 ppm2 4.334 CV 1
OR { 4320}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 4 and name HA ))
OR { 4320}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 4 and name HA ))
ASSI { 4325}
(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 12 and name H ))
2.700 0.900 0.900 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.27182E-02 ppm1 0.938 ppm2 8.679 CV 1
OR { 4325}
(( segid "B " and resid 11 and name HG21))
(( segid "B " and resid 12 and name H ))
OR { 4325}
(( segid "B " and resid 11 and name HG23))
(( segid "B " and resid 12 and name H ))
ASSI { 4326}
(( segid "A " and resid 11 and name HG23))
(( segid "B " and resid 5 and name H ))
3.600 1.600 1.600 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 0.956 ppm2 10.862 CV 1
OR { 4326}
(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 5 and name H ))
OR { 4326}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 5 and name H ))
ASSI { 4327}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 5 and name H ))
3.900 1.900 1.900 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.10248E-02 ppm1 0.935 ppm2 10.736 CV 1
OR { 4327}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 5 and name H ))
OR { 4327}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 5 and name H ))
ASSI { 4330}
(( segid "A " and resid 11 and name HG23))
(( segid "B " and resid 5 and name HG ))
4.000 2.000 2.000 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.17048E-02 ppm1 0.953 ppm2 1.839 CV 1
OR { 4330}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 5 and name HG ))
OR { 4330}
(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 5 and name HG ))
ASSI { 4332}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 15 and name HA ))
4.100 2.100 1.900 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.15479E-02 ppm1 0.954 ppm2 4.430 CV 1
OR { 4332}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 15 and name HA ))
OR { 4332}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 15 and name HA ))
ASSI { 4333}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
2.500 0.800 0.800 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.52520E-02 ppm1 4.561 ppm2 3.029 CV 1
ASSI { 4334}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 10 and name HB2 ))
2.600 0.900 0.900 peak 4334 spectrum 1 weight 0.10000E+01 volume 0.50983E-02 ppm1 4.596 ppm2 3.025 CV 1
OR { 4334}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 10 and name HB3 ))
ASSI { 4335}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 13 and name HB ))
4.200 2.200 1.800 peak 4335 spectrum 1 weight 0.10000E+01 volume 0.21672E-02 ppm1 4.600 ppm2 2.392 CV 1
ASSI { 4336}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 13 and name HB ))
4.300 2.300 1.700 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.17204E-02 ppm1 4.561 ppm2 2.383 CV 1
ASSI { 4340}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 13 and name H ))
3.700 1.700 1.700 peak 4340 spectrum 1 weight 0.10000E+01 volume 0.96416E-03 ppm1 4.603 ppm2 8.310 CV 1
ASSI { 4344}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 13 and name HG21))
3.300 1.400 1.400 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.99383E-03 ppm1 4.586 ppm2 0.852 CV 1
OR { 4344}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 13 and name HG23))
OR { 4344}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 13 and name HG22))
ASSI { 4345}
(( segid "A " and resid 10 and name HA ))
( segid "C " and resid 1934 and name HE% )
3.400 1.500 1.500 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.94550E-03 ppm1 4.555 ppm2 2.155 CV 1
ASSI { 4349}
(( segid "B " and resid 10 and name HB2 ))
(( segid "B " and resid 11 and name H ))
3.500 1.600 1.600 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.17508E-02 ppm1 3.044 ppm2 8.531 CV 1
ASSI { 4350}
(( segid "B " and resid 10 and name HB3 ))
(( segid "B " and resid 11 and name H ))
2.900 1.100 1.100 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.18297E-02 ppm1 3.008 ppm2 8.532 CV 1
ASSI { 4351}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 11 and name H ))
3.000 1.100 1.100 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.25773E-02 ppm1 3.034 ppm2 8.458 CV 1
OR { 4351}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 11 and name H ))
ASSI { 4352}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 11 and name H ))
2.800 1.000 1.000 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.24754E-02 ppm1 3.018 ppm2 8.456 CV 1
ASSI { 4353}
(( segid "B " and resid 10 and name HB2 ))
(( segid "B " and resid 10 and name H ))
2.700 0.900 0.900 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 3.053 ppm2 7.800 CV 1
ASSI { 4354}
(( segid "B " and resid 10 and name HB3 ))
(( segid "B " and resid 10 and name H ))
2.700 0.900 0.900 peak 4354 spectrum 1 weight 0.10000E+01 volume 0.39060E-02 ppm1 3.009 ppm2 7.796 CV 1
ASSI { 4357}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 12 and name H ))
3.400 1.400 1.400 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.86162E-03 ppm1 4.141 ppm2 8.664 CV 1
ASSI { 4359}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 12 and name HB2 ))
2.600 0.800 0.800 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.26250E-02 ppm1 4.141 ppm2 2.400 CV 1
OR { 4359}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 12 and name HG3 ))
OR { 4359}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 4360}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HB2 ))
3.100 1.200 1.200 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 4.137 ppm2 2.180 CV 1
ASSI { 4361}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HB3 ))
2.500 0.800 0.800 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.20005E-02 ppm1 4.141 ppm2 1.355 CV 1
ASSI { 4362}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HG ))
3.200 1.300 1.300 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 4.143 ppm2 1.903 CV 1
ASSI { 4364}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HD22))
4.300 2.400 1.700 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.67759E-03 ppm1 4.145 ppm2 0.680 CV 1
OR { 4364}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HD21))
OR { 4364}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 9 and name HD23))
ASSI { 4365}
(( segid "B " and resid 9 and name HA ))
(( segid "B " and resid 10 and name H ))
3.600 1.700 1.700 peak 4365 spectrum 1 weight 0.10000E+01 volume 0.65828E-03 ppm1 4.141 ppm2 7.794 CV 1
ASSI { 4367}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 10 and name H ))
2.700 0.900 0.900 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 2.186 ppm2 7.811 CV 1
ASSI { 4376}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HB3 ))
2.000 0.500 0.500 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.23020E-02 ppm1 2.202 ppm2 1.427 CV 1
ASSI { 4377}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 9 and name HB3 ))
1.900 0.500 0.500 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.23583E-02 ppm1 2.186 ppm2 1.358 CV 1
ASSI { 4381}
(( segid "B " and resid 9 and name HB3 ))
(( segid "B " and resid 9 and name HG ))
2.500 0.800 0.800 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.90627E-03 ppm1 1.356 ppm2 1.917 CV 1
ASSI { 4386}
(( segid "A " and resid 9 and name HG ))
(( segid "A " and resid 10 and name H ))
3.900 1.900 1.900 peak 4386 spectrum 1 weight 0.10000E+01 volume 0.19487E-02 ppm1 1.921 ppm2 7.741 CV 1
ASSI { 4387}
(( segid "A " and resid 9 and name HG ))
(( segid "A " and resid 9 and name HD23))
2.400 0.700 0.700 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.33859E-02 ppm1 1.927 ppm2 0.675 CV 1
OR { 4387}
(( segid "A " and resid 9 and name HG ))
(( segid "A " and resid 9 and name HD21))
OR { 4387}
(( segid "A " and resid 9 and name HG ))
(( segid "A " and resid 9 and name HD22))
ASSI { 4389}
(( segid "A " and resid 9 and name HG ))
(( segid "A " and resid 6 and name HA ))
4.400 2.500 1.600 peak 4389 spectrum 1 weight 0.10000E+01 volume 0.69212E-03 ppm1 1.918 ppm2 4.070 CV 1
ASSI { 4391}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HG22))
2.900 1.000 1.000 peak 4391 spectrum 1 weight 0.10000E+01 volume 0.61344E-02 ppm1 0.815 ppm2 0.049 CV 1
OR { 4391}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HG22))
OR { 4391}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 82 and name HG22))
OR { 4391}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HG23))
ASSI { 4392}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HD12))
3.100 1.200 1.200 peak 4392 spectrum 1 weight 0.10000E+01 volume 0.29501E-02 ppm1 0.815 ppm2 -0.107 CV 1
OR { 4392}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HD13))
OR { 4392}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 82 and name HD13))
OR { 4392}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 82 and name HD12))
OR { 4392}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HD11))
OR { 4392}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HD13))
OR { 4392}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HD12))
OR { 4392}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HD11))
ASSI { 4393}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD22))
2.200 0.600 0.600 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.85730E-02 ppm1 0.815 ppm2 0.439 CV 1
OR { 4393}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD22))
OR { 4393}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HD22))
OR { 4393}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD23))
OR { 4393}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD23))
OR { 4393}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD21))
OR { 4393}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD21))
ASSI { 4394}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD12))
3.100 1.200 1.200 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.33316E-02 ppm1 0.812 ppm2 0.562 CV 1
OR { 4394}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD13))
OR { 4394}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HD11))
OR { 4394}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD12))
OR { 4394}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HD12))
OR { 4394}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD11))
OR { 4394}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HD13))
OR { 4394}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HD13))
ASSI { 4395}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HD21))
2.100 0.500 0.500 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.15988E-01 ppm1 0.815 ppm2 0.677 CV 1
OR { 4395}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HD22))
OR { 4395}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HD23))
OR { 4395}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HD21))
OR { 4395}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HD21))
OR { 4395}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HD22))
OR { 4395}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HD22))
OR { 4395}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HD23))
ASSI { 4396}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HB3 ))
2.200 0.600 0.600 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.45691E-02 ppm1 0.813 ppm2 1.050 CV 1
OR { 4396}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HB3 ))
OR { 4396}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HB3 ))
ASSI { 4397}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HG13))
2.600 0.800 0.800 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.36784E-02 ppm1 0.814 ppm2 1.094 CV 1
OR { 4397}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 82 and name HG13))
OR { 4397}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HG13))
ASSI { 4398}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HB3 ))
2.400 0.700 0.700 peak 4398 spectrum 1 weight 0.10000E+01 volume 0.73655E-02 ppm1 0.815 ppm2 1.356 CV 1
OR { 4398}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HB3 ))
OR { 4398}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HB3 ))
ASSI { 4400}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 83 and name HB3 ))
2.700 0.900 0.900 peak 4400 spectrum 1 weight 0.10000E+01 volume 0.10400E-01 ppm1 0.815 ppm2 1.745 CV 1
OR { 4400}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 83 and name HB2 ))
OR { 4400}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 83 and name HB1 ))
OR { 4400}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 83 and name HB3 ))
OR { 4400}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 83 and name HB2 ))
OR { 4400}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 83 and name HB1 ))
OR { 4400}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 83 and name HB3 ))
OR { 4400}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 4401}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 5 and name HB3 ))
3.100 3.100 2.900 peak 4401 spectrum 1 weight 0.10000E+01 volume 0.36480E-02 ppm1 0.815 ppm2 1.669 CV 1
OR { 4401}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 5 and name HB3 ))
OR { 4401}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 5 and name HB3 ))
ASSI { 4402}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 82 and name HB ))
2.200 0.600 0.600 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.42679E-02 ppm1 0.815 ppm2 1.585 CV 1
OR { 4402}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 82 and name HB ))
OR { 4402}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 82 and name HB ))
ASSI { 4404}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 42 and name HB3 ))
3.100 3.100 2.900 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 0.813 ppm2 1.945 CV 1
OR { 4404}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 42 and name HB3 ))
OR { 4404}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 4405}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HB2 ))
2.800 1.000 1.000 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.55771E-02 ppm1 0.814 ppm2 2.179 CV 1
OR { 4405}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HB2 ))
OR { 4405}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HB2 ))
ASSI { 4406}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HG3 ))
2.900 1.100 1.100 peak 4406 spectrum 1 weight 0.10000E+01 volume 0.50657E-02 ppm1 0.814 ppm2 2.398 CV 1
OR { 4406}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HB2 ))
OR { 4406}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HG3 ))
OR { 4406}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HG3 ))
OR { 4406}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HB2 ))
OR { 4406}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HB2 ))
OR { 4406}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HB3 ))
OR { 4406}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HB3 ))
OR { 4406}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 4407}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HG2 ))
3.900 1.900 1.900 peak 4407 spectrum 1 weight 0.10000E+01 volume 0.91018E-03 ppm1 0.816 ppm2 2.702 CV 1
OR { 4407}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HG2 ))
OR { 4407}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 4408}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HA ))
2.300 0.700 0.700 peak 4408 spectrum 1 weight 0.10000E+01 volume 0.36632E-02 ppm1 0.815 ppm2 3.326 CV 1
OR { 4408}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HA ))
OR { 4408}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HA ))
ASSI { 4409}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 83 and name HA ))
3.300 1.300 1.300 peak 4409 spectrum 1 weight 0.10000E+01 volume 0.29371E-02 ppm1 0.815 ppm2 3.875 CV 1
OR { 4409}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 83 and name HA ))
OR { 4409}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 83 and name HA ))
ASSI { 4410}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HA ))
1.900 0.500 0.500 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.14356E-01 ppm1 0.815 ppm2 4.143 CV 1
OR { 4410}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HA ))
OR { 4410}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HA ))
ASSI { 4412}
(( segid "B " and resid 9 and name HD11))
( segid "A " and resid 78 and name HD% )
2.600 2.600 3.400 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.97020E-03 ppm1 0.814 ppm2 7.104 CV 1
OR { 4412}
(( segid "B " and resid 9 and name HD13))
( segid "A " and resid 78 and name HD% )
OR { 4412}
(( segid "B " and resid 9 and name HD12))
( segid "A " and resid 78 and name HD% )
ASSI { 4413}
(( segid "B " and resid 9 and name HD12))
( segid "A " and resid 45 and name HE% )
4.100 2.100 1.900 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 0.814 ppm2 7.014 CV 1
OR { 4413}
(( segid "B " and resid 9 and name HD11))
( segid "A " and resid 45 and name HE% )
OR { 4413}
(( segid "B " and resid 9 and name HD13))
( segid "A " and resid 45 and name HE% )
ASSI { 4414}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 10 and name H ))
3.600 1.600 1.600 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 0.814 ppm2 7.804 CV 1
OR { 4414}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 10 and name H ))
OR { 4414}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 10 and name H ))
ASSI { 4415}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name H ))
2.500 0.800 0.800 peak 4415 spectrum 1 weight 0.10000E+01 volume 0.46886E-02 ppm1 0.815 ppm2 7.740 CV 1
OR { 4415}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name H ))
OR { 4415}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name H ))
ASSI { 4416}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 80 and name H ))
3.800 1.800 1.800 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 0.816 ppm2 8.288 CV 1
OR { 4416}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 80 and name H ))
OR { 4416}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 80 and name H ))
ASSI { 4417}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name H ))
2.600 2.600 3.400 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 0.815 ppm2 8.165 CV 1
OR { 4417}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name H ))
OR { 4417}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name H ))
ASSI { 4418}
(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 83 and name H ))
2.700 0.900 0.900 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.42895E-02 ppm1 0.815 ppm2 8.966 CV 1
OR { 4418}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 83 and name H ))
OR { 4418}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 83 and name H ))
ASSI { 4419}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name H ))
3.900 1.900 1.900 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 0.816 ppm2 8.673 CV 1
OR { 4419}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name H ))
OR { 4419}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name H ))
ASSI { 4420}
(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 8 and name H ))
3.900 1.900 1.900 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.11380E-02 ppm1 0.816 ppm2 8.250 CV 1
OR { 4420}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 8 and name H ))
OR { 4420}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 8 and name H ))
ASSI { 4421}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 9 and name H ))
2.400 0.700 0.700 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.39538E-02 ppm1 0.675 ppm2 7.743 CV 1
OR { 4421}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 9 and name H ))
OR { 4421}
(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 9 and name H ))
ASSI { 4422}
(( segid "A " and resid 9 and name HD22))
(( segid "B " and resid 45 and name HZ ))
3.200 1.300 1.300 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.21654E-02 ppm1 0.673 ppm2 7.195 CV 1
OR { 4422}
(( segid "A " and resid 9 and name HD23))
(( segid "B " and resid 45 and name HZ ))
OR { 4422}
(( segid "A " and resid 9 and name HD21))
(( segid "B " and resid 45 and name HZ ))
ASSI { 4423}
(( segid "A " and resid 9 and name HD23))
( segid "B " and resid 45 and name HE% )
2.800 1.000 1.000 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.21849E-02 ppm1 0.672 ppm2 7.131 CV 1
OR { 4423}
(( segid "A " and resid 9 and name HD22))
( segid "B " and resid 45 and name HE% )
OR { 4423}
(( segid "A " and resid 9 and name HD21))
( segid "B " and resid 45 and name HE% )
ASSI { 4424}
(( segid "B " and resid 9 and name HD23))
( segid "A " and resid 45 and name HE% )
3.000 1.100 1.100 peak 4424 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 0.676 ppm2 7.013 CV 1
OR { 4424}
(( segid "B " and resid 9 and name HD22))
( segid "A " and resid 45 and name HE% )
OR { 4424}
(( segid "B " and resid 9 and name HD21))
( segid "A " and resid 45 and name HE% )
ASSI { 4427}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 83 and name H ))
4.700 2.800 1.300 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.84060E-03 ppm1 0.677 ppm2 8.963 CV 1
OR { 4427}
(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 83 and name H ))
OR { 4427}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 83 and name H ))
ASSI { 4430}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 79 and name HA ))
3.800 1.800 1.800 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 0.675 ppm2 3.316 CV 1
OR { 4430}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 79 and name HA ))
OR { 4430}
(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 79 and name HA ))
ASSI { 4435}
(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 5 and name HG ))
3.500 1.600 1.600 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.16938E-02 ppm1 0.674 ppm2 1.831 CV 1
OR { 4435}
(( segid "A " and resid 9 and name HD23))
(( segid "A " and resid 5 and name HG ))
OR { 4435}
(( segid "A " and resid 9 and name HD22))
(( segid "A " and resid 5 and name HG ))
ASSI { 4436}
(( segid "A " and resid 9 and name HD21))
(( segid "B " and resid 83 and name HB1 ))
3.900 1.900 1.900 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.24754E-02 ppm1 0.675 ppm2 1.741 CV 1
OR { 4436}
(( segid "A " and resid 9 and name HD22))
(( segid "B " and resid 83 and name HB1 ))
OR { 4436}
(( segid "A " and resid 9 and name HD23))
(( segid "B " and resid 83 and name HB1 ))
OR { 4436}
(( segid "A " and resid 9 and name HD22))
(( segid "B " and resid 83 and name HB3 ))
OR { 4436}
(( segid "A " and resid 9 and name HD21))
(( segid "B " and resid 83 and name HB3 ))
OR { 4436}
(( segid "A " and resid 9 and name HD23))
(( segid "B " and resid 83 and name HB3 ))
OR { 4436}
(( segid "A " and resid 9 and name HD22))
(( segid "B " and resid 83 and name HB2 ))
OR { 4436}
(( segid "A " and resid 9 and name HD21))
(( segid "B " and resid 83 and name HB2 ))
OR { 4436}
(( segid "A " and resid 9 and name HD23))
(( segid "B " and resid 83 and name HB2 ))
ASSI { 4438}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 9 and name HB3 ))
3.000 1.100 1.100 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.46298E-02 ppm1 0.675 ppm2 1.358 CV 1
OR { 4438}
(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 9 and name HB3 ))
OR { 4438}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 9 and name HB3 ))
ASSI { 4440}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 5 and name HD12))
2.700 0.900 0.900 peak 4440 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 0.674 ppm2 1.066 CV 1
OR { 4440}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 5 and name HD13))
OR { 4440}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 5 and name HD11))
OR { 4440}
(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 5 and name HD12))
OR { 4440}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 5 and name HD13))
OR { 4440}
(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 5 and name HD13))
OR { 4440}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 5 and name HD12))
OR { 4440}
(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 5 and name HD11))
OR { 4440}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 5 and name HD11))
ASSI { 4444}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 82 and name HG22))
2.500 0.800 0.800 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.87938E-02 ppm1 0.676 ppm2 0.048 CV 1
OR { 4444}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 82 and name HG22))
OR { 4444}
(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 82 and name HG22))
ASSI { 4446}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 82 and name HD13))
2.900 1.100 1.100 peak 4446 spectrum 1 weight 0.10000E+01 volume 0.37132E-02 ppm1 0.676 ppm2 -0.108 CV 1
OR { 4446}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 82 and name HD12))
OR { 4446}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 82 and name HD13))
OR { 4446}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 82 and name HD12))
OR { 4446}
(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 82 and name HD13))
OR { 4446}
(( segid "B " and resid 9 and name HD23))
(( segid "A " and resid 82 and name HD11))
OR { 4446}
(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 82 and name HD11))
OR { 4446}
(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 82 and name HD12))
ASSI { 4449}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 11 and name H ))
3.800 1.800 1.800 peak 4449 spectrum 1 weight 0.10000E+01 volume 0.66458E-03 ppm1 4.257 ppm2 8.456 CV 1
ASSI { 4450}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
3.000 1.200 1.200 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.18628E-02 ppm1 4.257 ppm2 2.200 CV 1
ASSI { 4451}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 12 and name HG3 ))
3.100 1.200 1.200 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.83692E-03 ppm1 4.261 ppm2 2.375 CV 1
ASSI { 4454}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 12 and name HE2 ))
3.300 1.400 1.400 peak 4454 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 4.258 ppm2 1.905 CV 1
OR { 4454}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 12 and name HE1 ))
OR { 4454}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 12 and name HE3 ))
ASSI { 4455}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB3 ))
2.600 0.800 0.800 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.15966E-02 ppm1 4.255 ppm2 1.425 CV 1
ASSI { 4464}
(( segid "A " and resid 9 and name HB3 ))
(( segid "A " and resid 9 and name HG ))
2.700 0.900 0.900 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.82543E-03 ppm1 1.424 ppm2 1.923 CV 1
ASSI { 4467}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name H ))
4.000 2.000 2.000 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.98538E-03 ppm1 0.817 ppm2 7.941 CV 1
OR { 4467}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name H ))
OR { 4467}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name H ))
ASSI { 4468}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name H ))
2.500 0.800 0.800 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.42592E-02 ppm1 0.819 ppm2 7.835 CV 1
OR { 4468}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name H ))
OR { 4468}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name H ))
ASSI { 4470}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 83 and name H ))
2.800 1.000 1.000 peak 4470 spectrum 1 weight 0.10000E+01 volume 0.40839E-02 ppm1 0.818 ppm2 8.815 CV 1
OR { 4470}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 83 and name H ))
OR { 4470}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 83 and name H ))
ASSI { 4471}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 79 and name H ))
4.500 2.600 1.500 peak 4471 spectrum 1 weight 0.10000E+01 volume 0.78966E-03 ppm1 0.818 ppm2 8.589 CV 1
OR { 4471}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 79 and name H ))
OR { 4471}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 79 and name H ))
ASSI { 4474}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 45 and name HZ ))
5.100 3.200 0.900 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.58871E-03 ppm1 0.819 ppm2 7.194 CV 1
OR { 4474}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 45 and name HZ ))
OR { 4474}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 45 and name HZ ))
ASSI { 4475}
(( segid "A " and resid 9 and name HD13))
( segid "B " and resid 45 and name HE% )
4.600 2.700 1.400 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.77406E-03 ppm1 0.820 ppm2 7.135 CV 1
OR { 4475}
(( segid "A " and resid 9 and name HD11))
( segid "B " and resid 45 and name HE% )
OR { 4475}
(( segid "A " and resid 9 and name HD12))
( segid "B " and resid 45 and name HE% )
ASSI { 4476}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HA ))
2.000 0.500 0.500 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.12468E-01 ppm1 0.819 ppm2 4.259 CV 1
OR { 4476}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HA ))
OR { 4476}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HA ))
ASSI { 4479}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 79 and name HA ))
2.900 1.100 1.100 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.16614E-02 ppm1 0.820 ppm2 3.286 CV 1
OR { 4479}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 79 and name HA ))
OR { 4479}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 79 and name HA ))
ASSI { 4480}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 12 and name HB2 ))
3.800 1.800 1.800 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 0.819 ppm2 2.574 CV 1
OR { 4480}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 12 and name HB2 ))
OR { 4480}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 4481}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 12 and name HG2 ))
4.100 2.100 1.900 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.81652E-03 ppm1 0.820 ppm2 2.850 CV 1
OR { 4481}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 12 and name HG2 ))
OR { 4481}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 12 and name HG2 ))
ASSI { 4482}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HB2 ))
2.900 1.000 1.000 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.55403E-02 ppm1 0.819 ppm2 2.200 CV 1
OR { 4482}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HB2 ))
OR { 4482}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HB2 ))
ASSI { 4484}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HG ))
2.000 0.500 0.500 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.91515E-02 ppm1 0.818 ppm2 1.933 CV 1
OR { 4484}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HG ))
OR { 4484}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HG ))
ASSI { 4486}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 83 and name HB1 ))
2.200 0.600 0.600 peak 4486 spectrum 1 weight 0.10000E+01 volume 0.11369E-01 ppm1 0.819 ppm2 1.738 CV 1
OR { 4486}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 83 and name HB1 ))
OR { 4486}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 83 and name HB1 ))
OR { 4486}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 83 and name HB3 ))
OR { 4486}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 83 and name HB3 ))
OR { 4486}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 83 and name HB2 ))
OR { 4486}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 83 and name HB2 ))
ASSI { 4487}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HB ))
2.700 0.900 0.900 peak 4487 spectrum 1 weight 0.10000E+01 volume 0.27377E-02 ppm1 0.818 ppm2 1.661 CV 1
OR { 4487}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name HB ))
OR { 4487}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name HB ))
ASSI { 4488}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HB3 ))
2.400 0.700 0.700 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.81264E-02 ppm1 0.819 ppm2 1.429 CV 1
OR { 4488}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HB3 ))
OR { 4488}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HB3 ))
ASSI { 4489}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 79 and name HG ))
3.800 1.800 1.800 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 0.818 ppm2 1.215 CV 1
OR { 4489}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 79 and name HG ))
OR { 4489}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 79 and name HG ))
ASSI { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD13))
3.300 1.300 1.300 peak 4490 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 0.818 ppm2 1.041 CV 1
OR { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD11))
OR { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD12))
OR { 4490}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 5 and name HD13))
OR { 4490}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 5 and name HD11))
OR { 4490}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 5 and name HD12))
OR { 4490}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 5 and name HD13))
OR { 4490}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 5 and name HD11))
OR { 4490}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 5 and name HD12))
OR { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD23))
OR { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD21))
OR { 4490}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 5 and name HD22))
OR { 4490}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 5 and name HD21))
OR { 4490}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 5 and name HD23))
OR { 4490}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 5 and name HD21))
OR { 4490}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 5 and name HD23))
ASSI { 4491}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HD21))
2.100 0.600 0.600 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.15355E-01 ppm1 0.819 ppm2 0.672 CV 1
OR { 4491}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HD22))
OR { 4491}
(( segid "A " and resid 9 and name HD13))
(( segid "A " and resid 9 and name HD23))
OR { 4491}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HD21))
OR { 4491}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HD21))
OR { 4491}
(( segid "A " and resid 9 and name HD12))
(( segid "A " and resid 9 and name HD22))
OR { 4491}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HD22))
OR { 4491}
(( segid "A " and resid 9 and name HD11))
(( segid "A " and resid 9 and name HD23))
ASSI { 4492}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HD13))
4.100 2.100 1.900 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 0.817 ppm2 -0.164 CV 1
OR { 4492}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HD11))
OR { 4492}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name HD13))
OR { 4492}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name HD11))
OR { 4492}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HD12))
OR { 4492}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name HD11))
OR { 4492}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name HD13))
ASSI { 4493}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HG22))
3.200 1.200 1.200 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.58438E-02 ppm1 0.819 ppm2 0.254 CV 1
OR { 4493}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name HG22))
OR { 4493}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HG23))
OR { 4493}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name HG22))
OR { 4493}
(( segid "A " and resid 9 and name HD11))
(( segid "B " and resid 82 and name HG21))
OR { 4493}
(( segid "A " and resid 9 and name HD12))
(( segid "B " and resid 82 and name HG23))
OR { 4493}
(( segid "A " and resid 9 and name HD13))
(( segid "B " and resid 82 and name HG23))
ASSI { 4495}
(( segid "A " and resid 9 and name HD22))
(( segid "A " and resid 9 and name HB3 ))
3.200 1.300 1.300 peak 4495 spectrum 1 weight 0.10000E+01 volume 0.40384E-02 ppm1 0.672 ppm2 1.424 CV 1
OR { 4495}
(( segid "A " and resid 9 and name HD23))
(( segid "A " and resid 9 and name HB3 ))
OR { 4495}
(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 9 and name HB3 ))
ASSI { 4497}
(( segid "A " and resid 9 and name HD22))
(( segid "A " and resid 9 and name HA ))
3.500 1.500 1.500 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 0.672 ppm2 4.263 CV 1
OR { 4497}
(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 9 and name HA ))
OR { 4497}
(( segid "A " and resid 9 and name HD23))
(( segid "A " and resid 9 and name HA ))
ASSI { 4498}
(( segid "A " and resid 9 and name HD22))
(( segid "A " and resid 9 and name H ))
2.500 0.800 0.800 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.32232E-02 ppm1 0.673 ppm2 7.824 CV 1
OR { 4498}
(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 9 and name H ))
OR { 4498}
(( segid "A " and resid 9 and name HD23))
(( segid "A " and resid 9 and name H ))
ASSI { 4502}
(( segid "B " and resid 8 and name HA ))
(( segid "B " and resid 11 and name H ))
3.300 1.400 1.400 peak 4502 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 4.159 ppm2 8.531 CV 1
ASSI { 4503}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 11 and name H ))
3.300 1.400 1.400 peak 4503 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 4.169 ppm2 8.462 CV 1
ASSI { 4504}
(( segid "B " and resid 8 and name HA ))
(( segid "B " and resid 9 and name H ))
3.400 1.400 1.400 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.99971E-03 ppm1 4.154 ppm2 7.746 CV 1
ASSI { 4505}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 9 and name H ))
3.000 1.100 1.100 peak 4505 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 4.166 ppm2 7.828 CV 1
ASSI { 4534}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 9 and name H ))
2.300 0.600 0.600 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.62774E-02 ppm1 1.692 ppm2 7.830 CV 1
OR { 4534}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 9 and name H ))
OR { 4534}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 9 and name H ))
ASSI { 4535}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 9 and name H ))
2.300 0.600 0.600 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.65050E-02 ppm1 1.688 ppm2 7.742 CV 1
OR { 4535}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 9 and name H ))
OR { 4535}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 9 and name H ))
ASSI { 4537}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 12 and name H ))
3.600 1.600 1.600 peak 4537 spectrum 1 weight 0.10000E+01 volume 0.16487E-02 ppm1 1.690 ppm2 8.802 CV 1
OR { 4537}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 12 and name H ))
OR { 4537}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 12 and name H ))
ASSI { 4538}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 12 and name H ))
3.600 1.600 1.600 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.18682E-02 ppm1 1.691 ppm2 8.674 CV 1
OR { 4538}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 12 and name H ))
OR { 4538}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 12 and name H ))
ASSI { 4539}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name H ))
3.600 1.600 1.600 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.19786E-02 ppm1 1.689 ppm2 8.529 CV 1
OR { 4539}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name H ))
OR { 4539}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name H ))
ASSI { 4540}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 11 and name H ))
3.500 1.500 1.500 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.20111E-02 ppm1 1.690 ppm2 8.457 CV 1
OR { 4540}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 11 and name H ))
OR { 4540}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 11 and name H ))
ASSI { 4542}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name H ))
2.100 0.600 0.600 peak 4542 spectrum 1 weight 0.10000E+01 volume 0.12884E-01 ppm1 1.692 ppm2 8.305 CV 1
OR { 4542}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name H ))
OR { 4542}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name H ))
ASSI { 4543}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 8 and name H ))
2.100 0.600 0.600 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.13006E-01 ppm1 1.688 ppm2 8.238 CV 1
OR { 4543}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 8 and name H ))
OR { 4543}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 8 and name H ))
ASSI { 4544}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HG2 ))
3.000 1.200 1.200 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.20807E-02 ppm1 4.277 ppm2 1.602 CV 1
OR { 4544}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HG3 ))
ASSI { 4545}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HD3 ))
3.200 1.300 1.300 peak 4545 spectrum 1 weight 0.10000E+01 volume 0.12598E-02 ppm1 4.280 ppm2 1.805 CV 1
OR { 4545}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HD2 ))
ASSI { 4546}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB3 ))
2.500 0.800 0.800 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.26532E-02 ppm1 4.278 ppm2 1.980 CV 1
ASSI { 4547}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.33555E-02 ppm1 4.279 ppm2 2.074 CV 1
ASSI { 4549}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 10 and name H ))
3.200 1.300 1.300 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.14737E-02 ppm1 4.281 ppm2 7.757 CV 1
ASSI { 4551}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name H ))
3.300 1.400 1.400 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.12971E-02 ppm1 4.280 ppm2 8.306 CV 1
ASSI { 4552}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 11 and name H ))
3.500 1.600 1.600 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.70077E-03 ppm1 4.280 ppm2 8.449 CV 1
ASSI { 4553}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name H ))
2.600 0.900 0.900 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.27832E-02 ppm1 4.250 ppm2 8.249 CV 1
ASSI { 4555}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 10 and name HB2 ))
3.100 1.200 1.200 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.31625E-02 ppm1 4.253 ppm2 3.037 CV 1
ASSI { 4556}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HB2 ))
2.900 1.000 1.000 peak 4556 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 4.252 ppm2 2.063 CV 1
ASSI { 4557}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HB3 ))
2.500 0.800 0.800 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.25751E-02 ppm1 4.252 ppm2 1.980 CV 1
ASSI { 4558}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HD3 ))
3.300 1.300 1.300 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 4.250 ppm2 1.811 CV 1
OR { 4558}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HD2 ))
ASSI { 4559}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HG3 ))
3.700 1.700 1.700 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 4.251 ppm2 1.566 CV 1
ASSI { 4560}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HG2 ))
3.100 1.200 1.200 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.12674E-02 ppm1 4.250 ppm2 1.626 CV 1
ASSI { 4565}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name H ))
2.400 0.700 0.700 peak 4565 spectrum 1 weight 0.10000E+01 volume 0.30975E-02 ppm1 2.064 ppm2 8.248 CV 1
ASSI { 4566}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name H ))
2.500 0.800 0.800 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.24060E-02 ppm1 2.079 ppm2 8.058 CV 1
ASSI { 4567}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name H ))
2.700 0.900 0.900 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 2.081 ppm2 8.302 CV 1
ASSI { 4571}
(( segid "B " and resid 7 and name HB3 ))
(( segid "B " and resid 7 and name H ))
3.400 1.400 1.400 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.28135E-02 ppm1 1.984 ppm2 8.250 CV 1
ASSI { 4572}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 8 and name H ))
3.100 1.200 1.200 peak 4572 spectrum 1 weight 0.10000E+01 volume 0.28482E-02 ppm1 1.972 ppm2 8.294 CV 1
ASSI { 4573}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name H ))
3.400 1.500 1.500 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.25664E-02 ppm1 1.980 ppm2 8.055 CV 1
ASSI { 4580}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HE3 ))
2.800 1.000 1.000 peak 4580 spectrum 1 weight 0.10000E+01 volume 0.40361E-02 ppm1 1.629 ppm2 3.066 CV 1
OR { 4580}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HE2 ))
ASSI { 4581}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HB2 ))
2.300 0.700 0.700 peak 4581 spectrum 1 weight 0.10000E+01 volume 0.52933E-02 ppm1 1.631 ppm2 2.071 CV 1
ASSI { 4582}
(( segid "B " and resid 7 and name HG2 ))
(( segid "B " and resid 7 and name H ))
2.500 0.800 0.800 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 1.622 ppm2 8.252 CV 1
ASSI { 4583}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name H ))
2.600 0.800 0.800 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 1.636 ppm2 8.059 CV 1
ASSI { 4586}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name H ))
3.700 1.700 1.700 peak 4586 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 1.593 ppm2 8.054 CV 1
ASSI { 4587}
(( segid "A " and resid 7 and name HG3 ))
(( segid "A " and resid 7 and name HB2 ))
2.300 0.700 0.700 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.37998E-02 ppm1 1.588 ppm2 2.074 CV 1
ASSI { 4589}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 6 and name H ))
2.800 1.000 1.000 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 4.063 ppm2 7.096 CV 1
ASSI { 4590}
(( segid "A " and resid 84 and name HA ))
( segid "B " and resid 72 and name HE% )
2.900 1.000 1.000 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.22933E-02 ppm1 4.060 ppm2 7.001 CV 1
ASSI { 4592}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 7 and name H ))
3.600 1.600 1.600 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.85988E-03 ppm1 4.062 ppm2 8.058 CV 1
ASSI { 4603}
(( segid "B " and resid 5 and name HB2 ))
(( segid "B " and resid 5 and name HB3 ))
2.000 0.500 0.500 peak 4603 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 2.111 ppm2 1.656 CV 1
ASSI { 4604}
(( segid "B " and resid 5 and name HB2 ))
(( segid "B " and resid 5 and name HG ))
2.700 0.900 0.900 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.10112E-02 ppm1 2.115 ppm2 1.838 CV 1
ASSI { 4607}
(( segid "B " and resid 5 and name HB3 ))
(( segid "B " and resid 5 and name HA ))
3.000 1.100 1.100 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 1.657 ppm2 4.280 CV 1
ASSI { 4609}
(( segid "B " and resid 5 and name HG ))
(( segid "B " and resid 5 and name HD11))
2.200 0.600 0.600 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.44891E-02 ppm1 1.838 ppm2 1.078 CV 1
OR { 4609}
(( segid "B " and resid 5 and name HG ))
(( segid "B " and resid 5 and name HD12))
OR { 4609}
(( segid "B " and resid 5 and name HG ))
(( segid "B " and resid 5 and name HD13))
ASSI { 4610}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HD22))
2.300 0.600 0.600 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.49140E-02 ppm1 1.814 ppm2 1.052 CV 1
OR { 4610}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HD11))
OR { 4610}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HD23))
OR { 4610}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HD12))
OR { 4610}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HD13))
ASSI { 4614}
(( segid "A " and resid 5 and name HG ))
(( segid "A " and resid 5 and name HA ))
3.400 1.400 1.400 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.16138E-02 ppm1 1.813 ppm2 4.287 CV 1
ASSI { 4615}
(( segid "B " and resid 5 and name HD12))
(( segid "B " and resid 5 and name HB2 ))
2.800 1.000 1.000 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.60714E-02 ppm1 1.073 ppm2 2.115 CV 1
OR { 4615}
(( segid "B " and resid 5 and name HD13))
(( segid "B " and resid 5 and name HB2 ))
OR { 4615}
(( segid "B " and resid 5 and name HD11))
(( segid "B " and resid 5 and name HB2 ))
ASSI { 4618}
(( segid "A " and resid 5 and name HD12))
(( segid "A " and resid 5 and name HB2 ))
2.800 1.000 1.000 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.62080E-02 ppm1 1.045 ppm2 2.164 CV 1
OR { 4618}
(( segid "A " and resid 5 and name HD13))
(( segid "A " and resid 5 and name HB2 ))
OR { 4618}
(( segid "A " and resid 5 and name HD11))
(( segid "A " and resid 5 and name HB2 ))
ASSI { 4619}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 41 and name HB2 ))
3.300 1.400 1.400 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.39557E-02 ppm1 1.071 ppm2 2.414 CV 1
OR { 4619}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 41 and name HB2 ))
OR { 4619}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 4621}
(( segid "B " and resid 5 and name HD12))
(( segid "B " and resid 6 and name HA ))
3.100 1.200 1.200 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 1.074 ppm2 4.065 CV 1
OR { 4621}
(( segid "B " and resid 5 and name HD13))
(( segid "B " and resid 6 and name HA ))
OR { 4621}
(( segid "B " and resid 5 and name HD11))
(( segid "B " and resid 6 and name HA ))
ASSI { 4623}
(( segid "B " and resid 5 and name HD13))
(( segid "B " and resid 5 and name HA ))
2.700 0.900 0.900 peak 4623 spectrum 1 weight 0.10000E+01 volume 0.26076E-02 ppm1 1.071 ppm2 4.283 CV 1
OR { 4623}
(( segid "B " and resid 5 and name HD12))
(( segid "B " and resid 5 and name HA ))
OR { 4623}
(( segid "B " and resid 5 and name HD11))
(( segid "B " and resid 5 and name HA ))
ASSI { 4624}
(( segid "B " and resid 5 and name HD12))
(( segid "B " and resid 6 and name H ))
3.800 1.800 1.800 peak 4624 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 1.072 ppm2 7.077 CV 1
OR { 4624}
(( segid "B " and resid 5 and name HD13))
(( segid "B " and resid 6 and name H ))
OR { 4624}
(( segid "B " and resid 5 and name HD11))
(( segid "B " and resid 6 and name H ))
OR { 4624}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 6 and name H ))
ASSI { 4627}
(( segid "B " and resid 5 and name HD11))
( segid "A " and resid 75 and name HE% )
2.900 1.100 1.100 peak 4627 spectrum 1 weight 0.10000E+01 volume 0.15440E-02 ppm1 1.073 ppm2 6.710 CV 1
OR { 4627}
(( segid "B " and resid 5 and name HD12))
( segid "A " and resid 75 and name HE% )
ASSI { 4628}
(( segid "A " and resid 5 and name HD11))
( segid "B " and resid 75 and name HE% )
3.600 1.600 1.600 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.13979E-02 ppm1 1.041 ppm2 6.654 CV 1
OR { 4628}
(( segid "A " and resid 5 and name HD13))
( segid "B " and resid 75 and name HE% )
OR { 4628}
(( segid "A " and resid 5 and name HD12))
( segid "B " and resid 75 and name HE% )
ASSI { 4631}
(( segid "B " and resid 5 and name HD13))
(( segid "B " and resid 5 and name H ))
3.900 1.900 1.900 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.15867E-02 ppm1 1.074 ppm2 10.859 CV 1
OR { 4631}
(( segid "B " and resid 5 and name HD12))
(( segid "B " and resid 5 and name H ))
OR { 4631}
(( segid "B " and resid 5 and name HD11))
(( segid "B " and resid 5 and name H ))
ASSI { 4632}
(( segid "A " and resid 5 and name HD13))
(( segid "A " and resid 5 and name H ))
4.100 2.100 1.900 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 1.042 ppm2 10.746 CV 1
OR { 4632}
(( segid "A " and resid 5 and name HD12))
(( segid "A " and resid 5 and name H ))
OR { 4632}
(( segid "A " and resid 5 and name HD11))
(( segid "A " and resid 5 and name H ))
ASSI { 4633}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name H ))
3.000 1.100 1.100 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.77274E-03 ppm1 4.288 ppm2 10.752 CV 1
ASSI { 4634}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name H ))
2.900 1.100 1.100 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.88329E-03 ppm1 4.289 ppm2 10.862 CV 1
ASSI { 4635}
(( segid "B " and resid 5 and name HB2 ))
(( segid "B " and resid 5 and name H ))
2.600 0.900 0.900 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.68127E-03 ppm1 2.107 ppm2 10.863 CV 1
ASSI { 4636}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD21))
2.200 0.600 0.600 peak 4636 spectrum 1 weight 0.10000E+01 volume 0.75130E-02 ppm1 1.073 ppm2 0.441 CV 1
OR { 4636}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 79 and name HD21))
OR { 4636}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 79 and name HD21))
OR { 4636}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD22))
OR { 4636}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 79 and name HD22))
OR { 4636}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 79 and name HD22))
OR { 4636}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD23))
ASSI { 4637}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD13))
2.700 0.900 0.900 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.34378E-02 ppm1 1.074 ppm2 0.563 CV 1
OR { 4637}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD12))
OR { 4637}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 79 and name HD12))
OR { 4637}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 79 and name HD13))
OR { 4637}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 79 and name HD11))
OR { 4637}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 79 and name HD13))
OR { 4637}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 79 and name HD12))
OR { 4637}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 79 and name HD11))
ASSI { 4638}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 42 and name HD22))
2.400 0.700 0.700 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.67456E-02 ppm1 1.073 ppm2 0.701 CV 1
OR { 4638}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 42 and name HD22))
OR { 4638}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 42 and name HD23))
OR { 4638}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 42 and name HD22))
OR { 4638}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 42 and name HD23))
OR { 4638}
(( segid "B " and resid 5 and name HD12))
(( segid "A " and resid 42 and name HD21))
OR { 4638}
(( segid "B " and resid 5 and name HD13))
(( segid "A " and resid 42 and name HD23))
OR { 4638}
(( segid "B " and resid 5 and name HD11))
(( segid "A " and resid 42 and name HD21))
ASSI { 4641}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 5 and name HA ))
2.100 0.500 0.500 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.10168E-01 ppm1 1.107 ppm2 4.288 CV 1
OR { 4641}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 5 and name HA ))
OR { 4641}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 5 and name HA ))
ASSI { 4643}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 12 and name HA ))
2.200 0.600 0.600 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.80829E-02 ppm1 1.107 ppm2 4.066 CV 1
OR { 4643}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 12 and name HA ))
OR { 4643}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 12 and name HA ))
ASSI { 4644}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 12 and name HG2 ))
3.200 1.300 1.300 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.28981E-02 ppm1 1.107 ppm2 2.843 CV 1
OR { 4644}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 12 and name HG2 ))
OR { 4644}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 12 and name HG2 ))
ASSI { 4645}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 12 and name HB2 ))
2.300 2.300 3.700 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.18849E-02 ppm1 1.106 ppm2 2.573 CV 1
OR { 4645}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 12 and name HB2 ))
OR { 4645}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 4649}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 5 and name HB2 ))
2.500 0.800 0.800 peak 4649 spectrum 1 weight 0.10000E+01 volume 0.36742E-02 ppm1 1.106 ppm2 2.110 CV 1
OR { 4649}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 5 and name HB2 ))
OR { 4649}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 5 and name HB2 ))
ASSI { 4650}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 15 and name HG21))
2.900 1.100 1.100 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.52216E-02 ppm1 1.107 ppm2 1.536 CV 1
OR { 4650}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 15 and name HG23))
OR { 4650}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 15 and name HG22))
OR { 4650}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 15 and name HG23))
OR { 4650}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 15 and name HG21))
OR { 4650}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 15 and name HG23))
OR { 4650}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 15 and name HG21))
OR { 4650}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 15 and name HG22))
ASSI { 4651}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 8 and name HB3 ))
2.500 0.800 0.800 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.11679E-01 ppm1 1.107 ppm2 1.681 CV 1
OR { 4651}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 8 and name HB2 ))
OR { 4651}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 8 and name HB1 ))
OR { 4651}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 8 and name HB3 ))
OR { 4651}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 8 and name HB2 ))
OR { 4651}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 8 and name HB1 ))
OR { 4651}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 8 and name HB3 ))
OR { 4651}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 8 and name HB2 ))
OR { 4651}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 8 and name HB1 ))
ASSI { 4652}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 5 and name HG ))
2.000 0.500 0.500 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.89068E-02 ppm1 1.107 ppm2 1.844 CV 1
OR { 4652}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 5 and name HG ))
OR { 4652}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 5 and name HG ))
ASSI { 4654}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 5 and name HB3 ))
2.800 1.000 1.000 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.51742E-02 ppm1 1.107 ppm2 1.648 CV 1
OR { 4654}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 5 and name HB3 ))
OR { 4654}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 5 and name HB3 ))
ASSI { 4658}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 9 and name HD13))
3.900 1.900 1.900 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.14521E-02 ppm1 1.106 ppm2 0.820 CV 1
OR { 4658}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 9 and name HD13))
OR { 4658}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 9 and name HD13))
OR { 4658}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 9 and name HD11))
OR { 4658}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 9 and name HD11))
OR { 4658}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 9 and name HD12))
OR { 4658}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 9 and name HD12))
OR { 4658}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 9 and name HD11))
OR { 4658}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 9 and name HD12))
ASSI { 4660}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD13))
2.400 0.700 0.700 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.67607E-02 ppm1 1.107 ppm2 0.564 CV 1
OR { 4660}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD12))
OR { 4660}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 79 and name HD13))
OR { 4660}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD11))
OR { 4660}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 79 and name HD12))
OR { 4660}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 79 and name HD13))
OR { 4660}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 79 and name HD11))
OR { 4660}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 79 and name HD12))
ASSI { 4661}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD21))
3.000 1.100 1.100 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.53476E-02 ppm1 1.107 ppm2 0.440 CV 1
OR { 4661}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 79 and name HD21))
OR { 4661}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 79 and name HD21))
OR { 4661}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD22))
OR { 4661}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 79 and name HD22))
OR { 4661}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 79 and name HD23))
OR { 4661}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 79 and name HD22))
ASSI { 4663}
(( segid "B " and resid 5 and name HD23))
( segid "A " and resid 75 and name HE% )
2.500 2.500 3.500 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.11982E-02 ppm1 1.105 ppm2 6.695 CV 1
OR { 4663}
(( segid "B " and resid 5 and name HD22))
( segid "A " and resid 75 and name HE% )
OR { 4663}
(( segid "B " and resid 5 and name HD21))
( segid "A " and resid 75 and name HE% )
ASSI { 4664}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 6 and name H ))
3.700 1.700 1.700 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 1.107 ppm2 7.080 CV 1
OR { 4664}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 6 and name H ))
ASSI { 4667}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 9 and name H ))
3.900 1.900 1.900 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 1.106 ppm2 7.742 CV 1
OR { 4667}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 9 and name H ))
OR { 4667}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 9 and name H ))
ASSI { 4669}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 12 and name H ))
3.200 1.300 1.300 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.17209E-02 ppm1 1.106 ppm2 8.798 CV 1
OR { 4669}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 12 and name H ))
OR { 4669}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 12 and name H ))
ASSI { 4670}
(( segid "B " and resid 5 and name HD22))
(( segid "A " and resid 15 and name H ))
3.600 1.600 1.600 peak 4670 spectrum 1 weight 0.10000E+01 volume 0.12342E-02 ppm1 1.107 ppm2 8.618 CV 1
OR { 4670}
(( segid "B " and resid 5 and name HD23))
(( segid "A " and resid 15 and name H ))
OR { 4670}
(( segid "B " and resid 5 and name HD21))
(( segid "A " and resid 15 and name H ))
ASSI { 4672}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 8 and name H ))
3.700 1.700 1.700 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.16367E-02 ppm1 1.105 ppm2 8.242 CV 1
OR { 4672}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 8 and name H ))
OR { 4672}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 8 and name H ))
ASSI { 4673}
(( segid "B " and resid 5 and name HD21))
(( segid "B " and resid 5 and name H ))
3.500 1.500 1.500 peak 4673 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 1.106 ppm2 10.860 CV 1
OR { 4673}
(( segid "B " and resid 5 and name HD22))
(( segid "B " and resid 5 and name H ))
OR { 4673}
(( segid "B " and resid 5 and name HD23))
(( segid "B " and resid 5 and name H ))
ASSI { 4674}
(( segid "B " and resid 5 and name HB3 ))
(( segid "B " and resid 5 and name H ))
3.400 1.500 1.500 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.74588E-03 ppm1 1.654 ppm2 10.865 CV 1
ASSI { 4675}
(( segid "B " and resid 5 and name HG ))
(( segid "B " and resid 5 and name H ))
4.900 2.900 1.100 peak 4675 spectrum 1 weight 0.10000E+01 volume 0.44197E-03 ppm1 1.846 ppm2 10.865 CV 1
ASSI { 4676}
(( segid "A " and resid 5 and name HB2 ))
(( segid "A " and resid 5 and name H ))
2.600 0.800 0.800 peak 4676 spectrum 1 weight 0.10000E+01 volume 0.81219E-03 ppm1 2.157 ppm2 10.747 CV 1
ASSI { 4677}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name H ))
3.400 1.400 1.400 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.76538E-03 ppm1 1.615 ppm2 10.743 CV 1
ASSI { 4678}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HD12))
2.700 0.900 0.900 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.26098E-02 ppm1 1.622 ppm2 1.052 CV 1
OR { 4678}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HD13))
OR { 4678}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HD11))
OR { 4678}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HD21))
OR { 4678}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HD22))
ASSI { 4679}
(( segid "A " and resid 5 and name HB3 ))
(( segid "A " and resid 5 and name HG ))
2.700 0.900 0.900 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.94376E-03 ppm1 1.619 ppm2 1.818 CV 1
ASSI { 4680}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 79 and name HD22))
2.200 0.600 0.600 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.95331E-02 ppm1 1.043 ppm2 0.464 CV 1
OR { 4680}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 79 and name HD22))
OR { 4680}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 79 and name HD22))
OR { 4680}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 79 and name HD21))
OR { 4680}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 79 and name HD21))
OR { 4680}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 79 and name HD21))
OR { 4680}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 79 and name HD23))
OR { 4680}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 79 and name HD23))
OR { 4680}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 79 and name HD23))
OR { 4680}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 79 and name HD12))
ASSI { 4682}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 42 and name HD13))
2.300 0.700 0.700 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.65179E-02 ppm1 1.042 ppm2 0.779 CV 1
OR { 4682}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 42 and name HD13))
OR { 4682}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 42 and name HD13))
OR { 4682}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 42 and name HD11))
OR { 4682}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 42 and name HD11))
OR { 4682}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 42 and name HD11))
OR { 4682}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 42 and name HD12))
ASSI { 4683}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 37 and name HD22))
3.000 1.100 1.100 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.34249E-02 ppm1 1.040 ppm2 0.853 CV 1
OR { 4683}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 37 and name HD22))
OR { 4683}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 37 and name HD21))
OR { 4683}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 37 and name HD21))
OR { 4683}
(( segid "A " and resid 5 and name HD11))
(( segid "B " and resid 37 and name HD23))
OR { 4683}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 37 and name HD22))
OR { 4683}
(( segid "A " and resid 5 and name HD12))
(( segid "B " and resid 37 and name HD23))
OR { 4683}
(( segid "A " and resid 5 and name HD13))
(( segid "B " and resid 37 and name HD21))
ASSI { 4684}
(( segid "A " and resid 5 and name HD12))
(( segid "A " and resid 5 and name HB3 ))
2.300 0.700 0.700 peak 4684 spectrum 1 weight 0.10000E+01 volume 0.50483E-02 ppm1 1.044 ppm2 1.620 CV 1
OR { 4684}
(( segid "A " and resid 5 and name HD13))
(( segid "A " and resid 5 and name HB3 ))
OR { 4684}
(( segid "A " and resid 5 and name HD11))
(( segid "A " and resid 5 and name HB3 ))
ASSI { 4686}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name H ))
3.400 1.400 1.400 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 1.059 ppm2 8.672 CV 1
OR { 4686}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name H ))
OR { 4686}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 12 and name H ))
ASSI { 4688}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 5 and name H ))
3.700 1.700 1.700 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 1.056 ppm2 10.741 CV 1
OR { 4688}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 5 and name H ))
OR { 4688}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 5 and name H ))
ASSI { 4689}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 9 and name H ))
4.300 2.300 1.700 peak 4689 spectrum 1 weight 0.10000E+01 volume 0.92687E-03 ppm1 1.056 ppm2 7.831 CV 1
OR { 4689}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 9 and name H ))
OR { 4689}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 9 and name H ))
ASSI { 4691}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 6 and name H ))
4.600 2.600 1.400 peak 4691 spectrum 1 weight 0.10000E+01 volume 0.78575E-03 ppm1 1.058 ppm2 7.108 CV 1
OR { 4691}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 6 and name H ))
OR { 4691}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 6 and name H ))
ASSI { 4692}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 16 and name H ))
4.300 2.300 1.700 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.56423E-03 ppm1 1.054 ppm2 6.986 CV 1
OR { 4692}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 16 and name H ))
OR { 4692}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 16 and name H ))
ASSI { 4694}
(( segid "A " and resid 5 and name HD23))
( segid "B " and resid 75 and name HE% )
3.600 1.600 1.600 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.10957E-02 ppm1 1.058 ppm2 6.652 CV 1
OR { 4694}
(( segid "A " and resid 5 and name HD22))
( segid "B " and resid 75 and name HE% )
OR { 4694}
(( segid "A " and resid 5 and name HD21))
( segid "B " and resid 75 and name HE% )
ASSI { 4697}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 5 and name HA ))
2.100 0.600 0.600 peak 4697 spectrum 1 weight 0.10000E+01 volume 0.89740E-02 ppm1 1.057 ppm2 4.288 CV 1
OR { 4697}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 5 and name HA ))
OR { 4697}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 5 and name HA ))
ASSI { 4699}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name HA ))
2.300 0.600 0.600 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.74914E-02 ppm1 1.057 ppm2 4.046 CV 1
OR { 4699}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name HA ))
OR { 4699}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 12 and name HA ))
ASSI { 4700}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name HG2 ))
3.200 1.300 1.300 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.21297E-02 ppm1 1.058 ppm2 2.696 CV 1
OR { 4700}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name HG2 ))
OR { 4700}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 4701}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name HG3 ))
2.900 1.000 1.000 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.63597E-02 ppm1 1.057 ppm2 2.397 CV 1
OR { 4701}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name HG3 ))
OR { 4701}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 12 and name HG3 ))
OR { 4701}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name HB3 ))
OR { 4701}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name HB3 ))
OR { 4701}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 12 and name HB2 ))
OR { 4701}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 12 and name HB3 ))
OR { 4701}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 4702}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 5 and name HB2 ))
2.600 0.800 0.800 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.38605E-02 ppm1 1.057 ppm2 2.169 CV 1
OR { 4702}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 5 and name HB2 ))
OR { 4702}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 5 and name HB2 ))
ASSI { 4704}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 5 and name HG ))
2.100 0.500 0.500 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.79182E-02 ppm1 1.057 ppm2 1.810 CV 1
OR { 4704}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 5 and name HG ))
OR { 4704}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 5 and name HG ))
ASSI { 4706}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 5 and name HB3 ))
2.900 1.100 1.100 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.43134E-02 ppm1 1.057 ppm2 1.615 CV 1
OR { 4706}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 5 and name HB3 ))
OR { 4706}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 5 and name HB3 ))
ASSI { 4707}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 15 and name HG21))
3.100 1.200 1.200 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.37630E-02 ppm1 1.057 ppm2 1.518 CV 1
OR { 4707}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 15 and name HG23))
OR { 4707}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 15 and name HG22))
OR { 4707}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 15 and name HG23))
OR { 4707}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 15 and name HG21))
OR { 4707}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 15 and name HG23))
OR { 4707}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 15 and name HG21))
OR { 4707}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 15 and name HG22))
ASSI { 4708}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 11 and name HG23))
2.400 0.700 0.700 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.78401E-02 ppm1 1.057 ppm2 0.936 CV 1
OR { 4708}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 11 and name HG22))
OR { 4708}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 11 and name HG21))
OR { 4708}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 11 and name HG23))
OR { 4708}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 11 and name HG22))
OR { 4708}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 11 and name HG23))
OR { 4708}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 11 and name HG21))
OR { 4708}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 11 and name HG22))
ASSI { 4709}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 79 and name HD22))
2.400 0.700 0.700 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.92858E-02 ppm1 1.057 ppm2 0.467 CV 1
OR { 4709}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 79 and name HD22))
OR { 4709}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 79 and name HD22))
OR { 4709}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 79 and name HD23))
OR { 4709}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 79 and name HD23))
OR { 4709}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 79 and name HD12))
OR { 4709}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 79 and name HD23))
OR { 4709}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 79 and name HD12))
OR { 4709}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 79 and name HD21))
OR { 4709}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 79 and name HD12))
OR { 4709}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 79 and name HD21))
OR { 4709}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 79 and name HD11))
OR { 4709}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 79 and name HD21))
ASSI { 4711}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 42 and name HD13))
3.800 1.800 1.800 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.20902E-02 ppm1 1.056 ppm2 0.789 CV 1
OR { 4711}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 42 and name HD13))
OR { 4711}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 42 and name HD13))
OR { 4711}
(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 42 and name HD11))
OR { 4711}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 42 and name HD11))
OR { 4711}
(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 42 and name HD11))
OR { 4711}
(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 42 and name HD12))
ASSI { 4712}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 9 and name HD13))
4.100 2.100 1.900 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.14956E-02 ppm1 1.056 ppm2 0.828 CV 1
OR { 4712}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 9 and name HD13))
OR { 4712}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 9 and name HD13))
OR { 4712}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 9 and name HD11))
OR { 4712}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 9 and name HD11))
OR { 4712}
(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 9 and name HD12))
OR { 4712}
(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 9 and name HD12))
OR { 4712}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 9 and name HD11))
OR { 4712}
(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 9 and name HD12))
ASSI { 4717}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HB2 ))
3.000 1.200 1.200 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.21396E-02 ppm1 4.923 ppm2 3.575 CV 1
ASSI { 4718}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB2 ))
3.200 1.300 1.300 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.16823E-02 ppm1 4.926 ppm2 3.661 CV 1
ASSI { 4724}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 4 and name HD3 ))
4.000 2.000 2.000 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 3.658 ppm2 4.080 CV 1
OR { 4724}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 4725}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 3 and name HB3 ))
2.100 0.500 0.500 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.26878E-02 ppm1 3.663 ppm2 2.951 CV 1
ASSI { 4730}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 3 and name HB2 ))
1.800 0.400 0.400 peak 4730 spectrum 1 weight 0.10000E+01 volume 0.55988E-02 ppm1 2.966 ppm2 3.573 CV 1
ASSI { 4741}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 3 and name H ))
3.900 1.900 1.900 peak 4741 spectrum 1 weight 0.10000E+01 volume 0.81371E-03 ppm1 2.976 ppm2 8.871 CV 1
ASSI { 4742}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name H ))
2.800 1.000 1.000 peak 4742 spectrum 1 weight 0.10000E+01 volume 0.30281E-02 ppm1 4.475 ppm2 8.119 CV 1
ASSI { 4743}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 3 and name H ))
2.400 0.700 0.700 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.44868E-02 ppm1 4.474 ppm2 8.695 CV 1
ASSI { 4747}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 2 and name H ))
2.300 0.700 0.700 peak 4747 spectrum 1 weight 0.10000E+01 volume 0.12763E-01 ppm1 1.483 ppm2 8.118 CV 1
OR { 4747}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 2 and name H ))
OR { 4747}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 2 and name H ))
ASSI { 4748}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 3 and name H ))
3.400 1.400 1.400 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.46298E-02 ppm1 1.483 ppm2 8.695 CV 1
OR { 4748}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 3 and name H ))
OR { 4748}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name H ))
ASSI { 4753}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HD3 ))
3.600 1.600 1.600 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.25751E-02 ppm1 1.483 ppm2 4.050 CV 1
OR { 4753}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 4 and name HD3 ))
OR { 4753}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HD3 ))
OR { 4753}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HD2 ))
OR { 4753}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 4 and name HD2 ))
OR { 4753}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HD2 ))
ASSI { 4766}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 3 and name H ))
3.600 1.600 1.600 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.31387E-02 ppm1 1.483 ppm2 8.873 CV 1
OR { 4766}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 3 and name H ))
OR { 4766}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 3 and name H ))
ASSI { 4767}
(( segid "B " and resid 2 and name HA ))
(( segid "B " and resid 3 and name HA ))
4.800 2.900 1.200 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 4.495 ppm2 4.928 CV 1
ASSI { 4770}
(( segid "A " and resid 75 and name HB3 ))
( segid "A " and resid 16 and name HE% )
3.500 1.500 1.500 peak 4770 spectrum 1 weight 0.10000E+01 volume 0.56985E-03 ppm1 3.018 ppm2 6.281 CV 1
ASSI { 4773}
(( segid "B " and resid 84 and name HE1 ))
( segid "A " and resid 72 and name HE% )
4.500 2.600 1.500 peak 4773 spectrum 1 weight 0.10000E+01 volume 0.90802E-03 ppm1 2.144 ppm2 7.004 CV 1
OR { 4773}
(( segid "B " and resid 84 and name HE2 ))
( segid "A " and resid 72 and name HE% )
ASSI { 4774}
(( segid "B " and resid 84 and name HE1 ))
(( segid "A " and resid 72 and name HZ ))
5.400 3.700 0.600 peak 4774 spectrum 1 weight 0.10000E+01 volume 0.52652E-03 ppm1 2.143 ppm2 6.925 CV 1
OR { 4774}
(( segid "B " and resid 84 and name HE2 ))
(( segid "A " and resid 72 and name HZ ))
ASSI { 4776}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 82 and name HD13))
4.400 2.400 1.600 peak 4776 spectrum 1 weight 0.10000E+01 volume 0.62600E-03 ppm1 1.042 ppm2 -0.164 CV 1
OR { 4776}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 82 and name HD13))
OR { 4776}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 82 and name HD13))
OR { 4776}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 82 and name HD12))
OR { 4776}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 82 and name HD11))
OR { 4776}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 82 and name HD12))
OR { 4776}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 82 and name HD11))
OR { 4776}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 82 and name HD12))
ASSI { 4779}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HB2 ))
2.700 0.900 0.900 peak 4779 spectrum 1 weight 0.10000E+01 volume 0.50266E-02 ppm1 4.332 ppm2 2.553 CV 1
ASSI { 4781}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HB3 ))
2.300 0.700 0.700 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.51806E-02 ppm1 4.332 ppm2 2.186 CV 1
OR { 4781}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HG3 ))
ASSI { 4782}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HD3 ))
3.500 1.500 1.500 peak 4782 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 4.332 ppm2 4.077 CV 1
OR { 4782}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 4784}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 7 and name HB3 ))
2.700 0.900 0.900 peak 4784 spectrum 1 weight 0.10000E+01 volume 0.19389E-02 ppm1 4.332 ppm2 1.983 CV 1
ASSI { 4787}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 11 and name HG13))
3.800 1.800 1.800 peak 4787 spectrum 1 weight 0.10000E+01 volume 0.65828E-03 ppm1 4.332 ppm2 1.263 CV 1
OR { 4787}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 11 and name HG12))
OR { 4787}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 11 and name HG11))
ASSI { 4788}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HD3 ))
3.700 1.700 1.700 peak 4788 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.354 ppm2 4.044 CV 1
OR { 4788}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HD2 ))
ASSI { 4789}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HB2 ))
2.700 0.900 0.900 peak 4789 spectrum 1 weight 0.10000E+01 volume 0.51458E-02 ppm1 4.354 ppm2 2.537 CV 1
ASSI { 4791}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HB3 ))
2.300 0.600 0.600 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.54083E-02 ppm1 4.354 ppm2 2.189 CV 1
OR { 4791}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HG3 ))
ASSI { 4793}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 7 and name HB3 ))
2.800 1.000 1.000 peak 4793 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 4.354 ppm2 1.975 CV 1
ASSI { 4794}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 11 and name HG13))
3.700 1.700 1.700 peak 4794 spectrum 1 weight 0.10000E+01 volume 0.82846E-03 ppm1 4.354 ppm2 1.263 CV 1
OR { 4794}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 11 and name HG12))
OR { 4794}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 11 and name HG11))
ASSI { 4795}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HA ))
3.900 1.900 1.900 peak 4795 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 2.379 ppm2 4.333 CV 1
ASSI { 4796}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HA ))
3.900 1.900 1.900 peak 4796 spectrum 1 weight 0.10000E+01 volume 0.16125E-02 ppm1 2.357 ppm2 4.346 CV 1
ASSI { 4798}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HD2 ))
2.600 0.800 0.800 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.33532E-02 ppm1 2.381 ppm2 4.083 CV 1
OR { 4798}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HD3 ))
ASSI { 4799}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HD2 ))
2.600 0.800 0.800 peak 4799 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 2.357 ppm2 4.053 CV 1
OR { 4799}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HD3 ))
ASSI { 4800}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HD3 ))
2.700 0.900 0.900 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 2.198 ppm2 4.087 CV 1
OR { 4800}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 4801}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HD3 ))
2.500 0.800 0.800 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.36480E-02 ppm1 2.187 ppm2 4.045 CV 1
OR { 4801}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HD2 ))
ASSI { 4802}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 3 and name HA ))
4.600 2.600 1.400 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 2.372 ppm2 4.919 CV 1
ASSI { 4806}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HD2 ))
3.100 1.200 1.200 peak 4806 spectrum 1 weight 0.10000E+01 volume 0.23020E-02 ppm1 2.547 ppm2 4.070 CV 1
OR { 4806}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HD3 ))
ASSI { 4810}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 4 and name HD3 ))
3.600 1.600 1.600 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.26770E-02 ppm1 2.188 ppm2 4.069 CV 1
OR { 4810}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 4819}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG23))
4.900 3.100 1.100 peak 4819 spectrum 1 weight 0.10000E+01 volume 0.93465E-03 ppm1 2.348 ppm2 0.945 CV 1
OR { 4819}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG21))
OR { 4819}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG22))
ASSI { 4825}
(( segid "A " and resid 4 and name HD3 ))
(( segid "A " and resid 4 and name HG3 ))
2.700 0.900 0.900 peak 4825 spectrum 1 weight 0.10000E+01 volume 0.35721E-02 ppm1 4.081 ppm2 2.189 CV 1
OR { 4825}
(( segid "A " and resid 4 and name HD2 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4825}
(( segid "A " and resid 4 and name HD3 ))
(( segid "A " and resid 4 and name HB3 ))
OR { 4825}
(( segid "A " and resid 4 and name HD2 ))
(( segid "A " and resid 4 and name HB3 ))
ASSI { 4828}
(( segid "A " and resid 4 and name HD2 ))
(( segid "A " and resid 3 and name HA ))
2.400 0.700 0.700 peak 4828 spectrum 1 weight 0.10000E+01 volume 0.49333E-02 ppm1 4.076 ppm2 4.928 CV 1
OR { 4828}
(( segid "A " and resid 4 and name HD3 ))
(( segid "A " and resid 3 and name HA ))
ASSI { 4829}
(( segid "A " and resid 4 and name HD2 ))
(( segid "A " and resid 3 and name HB3 ))
4.500 2.500 1.500 peak 4829 spectrum 1 weight 0.10000E+01 volume 0.77338E-03 ppm1 4.081 ppm2 2.951 CV 1
OR { 4829}
(( segid "A " and resid 4 and name HD3 ))
(( segid "A " and resid 3 and name HB3 ))
ASSI { 4830}
(( segid "B " and resid 4 and name HD3 ))
(( segid "B " and resid 4 and name HG3 ))
2.700 0.900 0.900 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.32124E-02 ppm1 4.048 ppm2 2.186 CV 1
OR { 4830}
(( segid "B " and resid 4 and name HD2 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4830}
(( segid "B " and resid 4 and name HD3 ))
(( segid "B " and resid 4 and name HB3 ))
ASSI { 4832}
(( segid "B " and resid 4 and name HD2 ))
(( segid "B " and resid 4 and name HB2 ))
3.700 1.700 1.700 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.80289E-03 ppm1 4.048 ppm2 2.543 CV 1
OR { 4832}
(( segid "B " and resid 4 and name HD3 ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 4833}
(( segid "B " and resid 4 and name HD2 ))
(( segid "B " and resid 3 and name HA ))
2.500 0.800 0.800 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.34249E-02 ppm1 4.045 ppm2 4.923 CV 1
OR { 4833}
(( segid "B " and resid 4 and name HD3 ))
(( segid "B " and resid 3 and name HA ))
ASSI { 4834}
(( segid "A " and resid 14 and name HB2 ))
( segid "B " and resid 90 and name HE% )
4.200 2.200 1.800 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.94030E-03 ppm1 4.099 ppm2 7.159 CV 1
OR { 4834}
(( segid "A " and resid 14 and name HB3 ))
( segid "B " and resid 90 and name HE% )
ASSI { 4837}
(( segid "A " and resid 14 and name HA ))
( segid "B " and resid 90 and name HE% )
3.600 1.600 1.600 peak 4837 spectrum 1 weight 0.10000E+01 volume 0.82911E-03 ppm1 4.111 ppm2 7.156 CV 1
ASSI { 53}
(( segid "A " and resid 29 and name H ))
( segid "A " and resid 27 and name HD% )
3.800 1.800 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11887E-02 ppm1 9.654 ppm2 7.480 CV 1
ASSI { 60}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HB2 ))
3.700 1.700 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 9.661 ppm2 1.712 CV 1
OR { 60}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HB3 ))
ASSI { 75}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 38 and name HB2 ))
4.300 2.400 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.57059E-03 ppm1 7.940 ppm2 1.900 CV 1
OR { 75}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 38 and name HG ))
ASSI { 77}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HB3 ))
2.800 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.21810E-02 ppm1 7.943 ppm2 1.128 CV 1
ASSI { 82}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 38 and name H ))
2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 7.942 ppm2 8.555 CV 1
ASSI { 89}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 98 and name HD3 ))
4.200 2.200 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.58441E-03 ppm1 8.379 ppm2 3.702 CV 1
ASSI { 99}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 21 and name H ))
4.700 2.800 1.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.68673E-03 ppm1 9.606 ppm2 7.782 CV 1
ASSI { 100}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 21 and name H ))
4.700 2.700 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.72870E-03 ppm1 9.616 ppm2 7.701 CV 1
ASSI { 127}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 32 and name H ))
2.600 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25397E-02 ppm1 8.691 ppm2 7.720 CV 1
ASSI { 139}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 34 and name HB2 ))
4.400 2.400 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.55678E-03 ppm1 8.691 ppm2 2.037 CV 1
ASSI { 152}
(( segid "A " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB3 ))
2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11468E-01 ppm1 8.123 ppm2 1.480 CV 1
OR { 152}
(( segid "A " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB2 ))
OR { 152}
(( segid "A " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB1 ))
ASSI { 157}
(( segid "A " and resid 2 and name H ))
(( segid "A " and resid 3 and name H ))
3.400 1.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.29292E-02 ppm1 8.122 ppm2 8.686 CV 1
ASSI { 159}
(( segid "A " and resid 2 and name H ))
(( segid "B " and resid 2 and name H ))
3.800 1.800 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.64479E-03 ppm1 8.122 ppm2 8.268 CV 1
ASSI { 162}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 6 and name H ))
4.900 3.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.55471E-03 ppm1 8.688 ppm2 7.084 CV 1
ASSI { 163}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 3 and name HA ))
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.17921E-02 ppm1 8.683 ppm2 4.922 CV 1
ASSI { 165}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 4 and name HD3 ))
3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.99277E-03 ppm1 8.682 ppm2 4.075 CV 1
OR { 165}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 166}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 3 and name HB2 ))
3.300 1.400 1.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 8.687 ppm2 3.659 CV 1
ASSI { 167}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 3 and name HB3 ))
3.500 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.17292E-02 ppm1 8.683 ppm2 2.945 CV 1
ASSI { 168}
(( segid "A " and resid 3 and name H ))
(( segid "B " and resid 41 and name HG2 ))
4.700 2.800 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.63507E-03 ppm1 8.688 ppm2 2.613 CV 1
ASSI { 172}
(( segid "B " and resid 6 and name H ))
(( segid "B " and resid 7 and name H ))
2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.20561E-02 ppm1 7.089 ppm2 8.248 CV 1
ASSI { 173}
(( segid "B " and resid 6 and name H ))
(( segid "A " and resid 43 and name HD3 ))
4.000 2.000 2.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 7.092 ppm2 3.225 CV 1
ASSI { 174}
(( segid "B " and resid 6 and name H ))
(( segid "B " and resid 7 and name HB2 ))
4.100 2.100 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.67446E-03 ppm1 7.092 ppm2 2.074 CV 1
ASSI { 175}
(( segid "B " and resid 6 and name H ))
(( segid "B " and resid 5 and name HB3 ))
3.400 1.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.56443E-03 ppm1 7.092 ppm2 1.667 CV 1
ASSI { 176}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HA ))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20807E-02 ppm1 7.096 ppm2 4.064 CV 1
ASSI { 178}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 4 and name HB2 ))
4.000 2.000 2.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 7.103 ppm2 2.554 CV 1
ASSI { 179}
(( segid "A " and resid 6 and name H ))
(( segid "B " and resid 41 and name HB2 ))
4.300 2.300 1.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.97792E-03 ppm1 7.092 ppm2 2.419 CV 1
ASSI { 181}
(( segid "A " and resid 6 and name H ))
(( segid "B " and resid 41 and name HG2 ))
3.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.74355E-03 ppm1 7.094 ppm2 2.612 CV 1
ASSI { 183}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name H ))
2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 8.054 ppm2 7.108 CV 1
ASSI { 185}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HA ))
2.600 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.27050E-02 ppm1 8.055 ppm2 4.276 CV 1
ASSI { 189}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HB3 ))
3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.60078E-03 ppm1 8.062 ppm2 2.205 CV 1
OR { 189}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 192}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HG2 ))
2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15265E-02 ppm1 8.058 ppm2 1.617 CV 1
OR { 192}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 7 and name HG3 ))
ASSI { 193}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 8 and name H ))
2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22547E-02 ppm1 8.057 ppm2 8.307 CV 1
ASSI { 195}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 9 and name H ))
2.800 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 8.305 ppm2 7.824 CV 1
ASSI { 197}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 6 and name H ))
3.700 1.700 1.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.60488E-03 ppm1 8.305 ppm2 7.112 CV 1
ASSI { 200}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 8 and name HA ))
2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.38282E-02 ppm1 8.303 ppm2 4.165 CV 1
ASSI { 206}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 7 and name HG2 ))
4.200 2.200 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.11038E-02 ppm1 8.309 ppm2 1.613 CV 1
OR { 206}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 7 and name HG3 ))
ASSI { 208}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HD13))
4.200 2.200 1.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.66626E-03 ppm1 8.305 ppm2 1.050 CV 1
OR { 208}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HD21))
OR { 208}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HD11))
OR { 208}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HD23))
OR { 208}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HD22))
ASSI { 211}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 9 and name HA ))
2.500 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.31052E-02 ppm1 7.730 ppm2 4.145 CV 1
ASSI { 212}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 6 and name HA ))
3.500 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10030E-02 ppm1 7.732 ppm2 4.064 CV 1
ASSI { 213}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 10 and name HB2 ))
4.700 2.800 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.55164E-03 ppm1 7.725 ppm2 3.030 CV 1
OR { 213}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 10 and name HB3 ))
ASSI { 214}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 12 and name HG3 ))
3.900 1.900 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.65196E-03 ppm1 7.729 ppm2 2.408 CV 1
OR { 214}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 12 and name HB2 ))
OR { 214}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 215}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.24399E-02 ppm1 7.730 ppm2 2.182 CV 1
ASSI { 216}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 9 and name HG ))
2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.33768E-02 ppm1 7.731 ppm2 1.917 CV 1
ASSI { 218}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 9 and name HB3 ))
3.400 1.400 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 7.733 ppm2 1.354 CV 1
ASSI { 221}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 8 and name H ))
2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.20628E-02 ppm1 7.731 ppm2 8.237 CV 1
ASSI { 222}
(( segid "B " and resid 9 and name H ))
(( segid "B " and resid 7 and name HA ))
3.800 1.800 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.70465E-03 ppm1 7.734 ppm2 4.261 CV 1
ASSI { 223}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 10 and name HA ))
2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.41646E-02 ppm1 7.799 ppm2 4.599 CV 1
ASSI { 224}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 7 and name HA ))
3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 7.800 ppm2 4.246 CV 1
ASSI { 226}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 10 and name HB2 ))
2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.60488E-02 ppm1 7.799 ppm2 3.026 CV 1
OR { 226}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 10 and name HB3 ))
ASSI { 230}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 8 and name HB1 ))
4.300 2.300 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.73077E-03 ppm1 7.804 ppm2 1.689 CV 1
OR { 230}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 8 and name HB3 ))
OR { 230}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 8 and name HB2 ))
ASSI { 231}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HB3 ))
3.700 1.700 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 7.799 ppm2 1.351 CV 1
ASSI { 234}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HD22))
4.000 2.000 2.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.84845E-03 ppm1 7.798 ppm2 0.672 CV 1
OR { 234}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HD23))
OR { 234}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HD21))
ASSI { 235}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 12 and name H ))
4.000 2.000 2.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.56546E-03 ppm1 7.797 ppm2 8.664 CV 1
ASSI { 236}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 11 and name H ))
2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.24972E-02 ppm1 7.799 ppm2 8.534 CV 1
ASSI { 237}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 8 and name H ))
3.400 1.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 7.799 ppm2 8.236 CV 1
ASSI { 239}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 10 and name HA ))
3.300 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13899E-02 ppm1 8.535 ppm2 4.600 CV 1
ASSI { 240}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 7 and name HA ))
3.300 1.400 1.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.96820E-03 ppm1 8.540 ppm2 4.250 CV 1
ASSI { 243}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 10 and name HB3 ))
3.000 1.100 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.23294E-02 ppm1 8.536 ppm2 3.031 CV 1
OR { 243}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 10 and name HB2 ))
ASSI { 248}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 12 and name H ))
2.600 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.22736E-02 ppm1 8.534 ppm2 8.668 CV 1
ASSI { 250}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 13 and name H ))
2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.19067E-02 ppm1 8.667 ppm2 8.294 CV 1
ASSI { 251}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 10 and name HA ))
3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.62635E-03 ppm1 8.671 ppm2 4.603 CV 1
ASSI { 253}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 12 and name HA ))
2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.666 ppm2 4.047 CV 1
ASSI { 256}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 12 and name HB2 ))
2.100 0.500 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.77271E-02 ppm1 8.667 ppm2 2.395 CV 1
OR { 256}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 12 and name HG3 ))
OR { 256}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 263}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 79 and name HD23))
4.900 3.000 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.60282E-03 ppm1 8.663 ppm2 0.464 CV 1
OR { 263}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 79 and name HD12))
OR { 263}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 79 and name HD22))
OR { 263}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 79 and name HD11))
OR { 263}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 79 and name HD13))
ASSI { 268}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HA2 ))
3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.24261E-02 ppm1 8.292 ppm2 4.159 CV 1
ASSI { 269}
(( segid "B " and resid 13 and name H ))
(( segid "B " and resid 13 and name HA ))
2.700 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.20045E-02 ppm1 8.288 ppm2 4.081 CV 1
ASSI { 270}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 47 and name HA3 ))
2.800 1.000 1.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.21866E-02 ppm1 8.292 ppm2 3.744 CV 1
ASSI { 271}
(( segid "B " and resid 13 and name H ))
(( segid "B " and resid 13 and name HB ))
2.900 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.59106E-02 ppm1 8.291 ppm2 2.397 CV 1
ASSI { 272}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HD2 ))
4.600 2.600 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.82440E-03 ppm1 8.291 ppm2 1.742 CV 1
OR { 272}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HD3 ))
ASSI { 273}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HG3 ))
3.700 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 8.293 ppm2 1.516 CV 1
OR { 273}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HG2 ))
ASSI { 277}
(( segid "B " and resid 13 and name H ))
(( segid "B " and resid 14 and name H ))
2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.18566E-02 ppm1 8.291 ppm2 9.097 CV 1
ASSI { 279}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 15 and name H ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 9.096 ppm2 8.724 CV 1
ASSI { 281}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 10 and name HA ))
3.700 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.98712E-03 ppm1 9.096 ppm2 4.601 CV 1
ASSI { 283}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 13 and name HA ))
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.40232E-02 ppm1 9.096 ppm2 4.098 CV 1
ASSI { 284}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 11 and name HA ))
3.200 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10352E-02 ppm1 9.097 ppm2 3.951 CV 1
ASSI { 285}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 13 and name HB ))
3.200 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.35418E-02 ppm1 9.096 ppm2 2.397 CV 1
ASSI { 289}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 16 and name H ))
2.900 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.13709E-02 ppm1 8.725 ppm2 6.977 CV 1
ASSI { 291}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 15 and name HA ))
2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 8.724 ppm2 4.394 CV 1
ASSI { 292}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 14 and name HA ))
3.400 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13556E-02 ppm1 8.720 ppm2 4.146 CV 1
ASSI { 293}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 13 and name HA ))
4.000 2.000 2.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10368E-02 ppm1 8.724 ppm2 4.099 CV 1
ASSI { 294}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 15 and name HB ))
2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 8.725 ppm2 3.998 CV 1
ASSI { 297}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG11))
4.700 2.800 1.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.55216E-03 ppm1 8.725 ppm2 1.254 CV 1
OR { 297}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG13))
OR { 297}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG12))
ASSI { 298}
(( segid "B " and resid 15 and name H ))
(( segid "A " and resid 5 and name HD22))
4.300 2.300 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.57263E-03 ppm1 8.724 ppm2 1.054 CV 1
OR { 298}
(( segid "B " and resid 15 and name H ))
(( segid "A " and resid 5 and name HD23))
OR { 298}
(( segid "B " and resid 15 and name H ))
(( segid "A " and resid 5 and name HD21))
ASSI { 299}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG22))
4.300 2.300 1.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.88222E-03 ppm1 8.726 ppm2 0.935 CV 1
OR { 299}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG23))
OR { 299}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HG21))
ASSI { 302}
(( segid "B " and resid 16 and name H ))
( segid "B " and resid 75 and name HE% )
4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.76147E-03 ppm1 6.979 ppm2 6.649 CV 1
ASSI { 303}
(( segid "B " and resid 16 and name H ))
( segid "B " and resid 16 and name HD% )
4.400 2.500 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 6.982 ppm2 5.620 CV 1
ASSI { 304}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 15 and name HA ))
3.200 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 6.982 ppm2 4.399 CV 1
ASSI { 305}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 13 and name HA ))
3.900 1.900 1.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.87609E-03 ppm1 6.977 ppm2 4.085 CV 1
ASSI { 306}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 15 and name HB ))
3.200 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.75224E-03 ppm1 6.981 ppm2 4.001 CV 1
ASSI { 309}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 16 and name HB3 ))
3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.17159E-02 ppm1 6.979 ppm2 2.599 CV 1
ASSI { 311}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 37 and name HD11))
3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.72718E-03 ppm1 6.983 ppm2 0.921 CV 1
OR { 311}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 37 and name HD12))
OR { 311}
(( segid "B " and resid 16 and name H ))
(( segid "B " and resid 37 and name HD13))
ASSI { 314}
(( segid "B " and resid 17 and name H ))
( segid "B " and resid 16 and name HD% )
4.100 2.100 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.77426E-03 ppm1 7.049 ppm2 5.623 CV 1
ASSI { 316}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 13 and name HA ))
4.300 2.400 1.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 7.054 ppm2 4.095 CV 1
ASSI { 319}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 16 and name HB2 ))
4.600 2.600 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.64989E-03 ppm1 7.057 ppm2 3.127 CV 1
ASSI { 320}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 17 and name HB3 ))
3.600 1.600 1.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 7.056 ppm2 2.881 CV 1
ASSI { 321}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 18 and name H ))
2.800 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 7.055 ppm2 7.926 CV 1
ASSI { 322}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 17 and name HD2 ))
3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15531E-02 ppm1 7.055 ppm2 7.324 CV 1
ASSI { 323}
(( segid "B " and resid 17 and name H ))
(( segid "B " and resid 16 and name H ))
3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.16314E-02 ppm1 7.054 ppm2 6.985 CV 1
ASSI { 324}
(( segid "B " and resid 18 and name H ))
( segid "B " and resid 19 and name HD% )
4.200 2.200 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.69289E-03 ppm1 7.929 ppm2 7.412 CV 1
ASSI { 326}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 19 and name H ))
2.800 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 7.925 ppm2 6.825 CV 1
ASSI { 328}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 15 and name HB ))
3.800 1.800 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 7.924 ppm2 3.999 CV 1
ASSI { 329}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 18 and name HA ))
2.800 0.900 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.35321E-02 ppm1 7.925 ppm2 3.942 CV 1
ASSI { 330}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 17 and name HB2 ))
3.500 1.600 1.600 peak 330 spectrum 1 weight 0.10000E+01 volume 0.72102E-03 ppm1 7.926 ppm2 3.330 CV 1
ASSI { 331}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 19 and name HB2 ))
4.400 2.500 1.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.72667E-03 ppm1 7.928 ppm2 2.917 CV 1
ASSI { 332}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 18 and name HB3 ))
2.500 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.35018E-02 ppm1 7.926 ppm2 1.900 CV 1
OR { 332}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 334}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 18 and name HG2 ))
4.500 2.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.95693E-03 ppm1 7.926 ppm2 1.365 CV 1
ASSI { 335}
(( segid "B " and resid 18 and name H ))
(( segid "B " and resid 18 and name HG3 ))
4.900 3.000 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.62432E-03 ppm1 7.921 ppm2 0.709 CV 1
ASSI { 339}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 17 and name HA ))
3.400 1.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10705E-02 ppm1 6.849 ppm2 4.809 CV 1
ASSI { 341}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 20 and name HA ))
4.900 2.900 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.55984E-03 ppm1 6.845 ppm2 3.581 CV 1
ASSI { 344}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 37 and name HD12))
4.100 2.100 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.61560E-03 ppm1 6.844 ppm2 0.906 CV 1
OR { 344}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 37 and name HD11))
OR { 344}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 37 and name HD13))
ASSI { 345}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 29 and name HD21))
4.300 2.300 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.90679E-03 ppm1 6.827 ppm2 0.274 CV 1
OR { 345}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 29 and name HD22))
OR { 345}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 29 and name HD23))
ASSI { 349}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 18 and name H ))
4.300 2.300 1.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.62225E-03 ppm1 8.520 ppm2 7.930 CV 1
ASSI { 350}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 21 and name H ))
2.900 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 8.520 ppm2 7.700 CV 1
ASSI { 351}
(( segid "B " and resid 20 and name H ))
( segid "B " and resid 19 and name HD% )
4.300 2.300 1.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.86637E-03 ppm1 8.523 ppm2 7.418 CV 1
ASSI { 352}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 19 and name H ))
2.500 0.800 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.26922E-02 ppm1 8.518 ppm2 6.824 CV 1
ASSI { 354}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 19 and name HA ))
3.600 1.600 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.97843E-03 ppm1 8.518 ppm2 4.331 CV 1
ASSI { 355}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 20 and name HA ))
2.900 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.16033E-02 ppm1 8.518 ppm2 3.572 CV 1
ASSI { 356}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 20 and name HB2 ))
3.900 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.86789E-03 ppm1 8.517 ppm2 3.120 CV 1
ASSI { 357}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 20 and name HB3 ))
2.800 1.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.10368E-02 ppm1 8.522 ppm2 2.277 CV 1
ASSI { 358}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 29 and name HD21))
3.300 1.400 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.16570E-02 ppm1 8.518 ppm2 0.273 CV 1
OR { 358}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 29 and name HD22))
OR { 358}
(( segid "B " and resid 20 and name H ))
(( segid "B " and resid 29 and name HD23))
ASSI { 359}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 22 and name H ))
2.800 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 7.700 ppm2 7.246 CV 1
ASSI { 360}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 19 and name H ))
3.900 1.900 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.57725E-03 ppm1 7.697 ppm2 6.817 CV 1
ASSI { 361}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 17 and name HA ))
3.500 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.88632E-03 ppm1 7.697 ppm2 4.859 CV 1
ASSI { 362}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 26 and name HA ))
3.100 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.16954E-02 ppm1 7.700 ppm2 4.413 CV 1
ASSI { 363}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 21 and name HA2 ))
3.100 1.200 1.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.28764E-02 ppm1 7.701 ppm2 4.140 CV 1
ASSI { 364}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 22 and name HA ))
4.400 2.400 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.59310E-03 ppm1 7.698 ppm2 3.995 CV 1
ASSI { 365}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 21 and name HA3 ))
2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.42657E-02 ppm1 7.700 ppm2 3.894 CV 1
ASSI { 366}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 20 and name HA ))
3.400 1.500 1.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.95948E-03 ppm1 7.700 ppm2 3.567 CV 1
ASSI { 367}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 26 and name HD3 ))
4.600 2.700 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.69390E-03 ppm1 7.699 ppm2 1.621 CV 1
OR { 367}
(( segid "B " and resid 21 and name H ))
(( segid "B " and resid 26 and name HD2 ))
ASSI { 371}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 26 and name HA ))
3.800 1.800 1.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.10112E-02 ppm1 7.236 ppm2 4.415 CV 1
ASSI { 373}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 21 and name HA2 ))
3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.13428E-02 ppm1 7.236 ppm2 4.139 CV 1
ASSI { 374}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HA ))
2.400 0.700 0.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.76044E-02 ppm1 7.231 ppm2 3.996 CV 1
ASSI { 375}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 21 and name HA3 ))
3.500 1.500 1.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 7.245 ppm2 3.892 CV 1
ASSI { 376}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HE2 ))
4.500 2.600 1.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.56443E-03 ppm1 7.249 ppm2 3.033 CV 1
OR { 376}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HE3 ))
ASSI { 377}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 33 and name HG3 ))
3.800 1.800 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.64582E-03 ppm1 7.235 ppm2 2.415 CV 1
ASSI { 378}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HB2 ))
2.400 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.44080E-02 ppm1 7.248 ppm2 2.196 CV 1
ASSI { 379}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HB2 ))
2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.46860E-02 ppm1 7.231 ppm2 2.175 CV 1
ASSI { 380}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HB3 ))
2.900 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.41326E-02 ppm1 7.244 ppm2 2.033 CV 1
ASSI { 381}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HD2 ))
4.300 2.300 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.94618E-03 ppm1 7.245 ppm2 1.898 CV 1
ASSI { 383}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HG3 ))
3.600 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.23340E-02 ppm1 7.248 ppm2 1.471 CV 1
ASSI { 385}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 23 and name H ))
2.300 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.64582E-02 ppm1 7.236 ppm2 9.612 CV 1
ASSI { 388}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HA ))
2.500 0.800 0.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.67908E-02 ppm1 7.247 ppm2 3.996 CV 1
ASSI { 392}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name H ))
2.600 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.26441E-02 ppm1 9.573 ppm2 9.352 CV 1
ASSI { 393}
(( segid "A " and resid 27 and name H ))
( segid "A " and resid 27 and name HD% )
2.800 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.39680E-02 ppm1 9.574 ppm2 7.497 CV 1
ASSI { 394}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 28 and name H ))
2.200 0.600 0.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.69493E-02 ppm1 9.580 ppm2 7.202 CV 1
ASSI { 395}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 28 and name HA ))
4.600 2.700 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.55829E-03 ppm1 9.569 ppm2 5.166 CV 1
ASSI { 396}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HA ))
2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.26252E-02 ppm1 9.578 ppm2 4.845 CV 1
ASSI { 401}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 20 and name HB2 ))
4.200 2.200 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.57314E-03 ppm1 9.571 ppm2 3.075 CV 1
ASSI { 410}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HA ))
2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20357E-02 ppm1 7.195 ppm2 5.165 CV 1
ASSI { 412}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 25 and name HA ))
2.700 2.700 3.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.75992E-03 ppm1 7.203 ppm2 4.485 CV 1
ASSI { 413}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 26 and name HA ))
3.400 1.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11954E-02 ppm1 7.199 ppm2 4.411 CV 1
ASSI { 414}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HB2 ))
3.800 1.800 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.10782E-02 ppm1 7.197 ppm2 3.773 CV 1
ASSI { 415}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 20 and name HA ))
4.500 2.600 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.92264E-03 ppm1 7.199 ppm2 3.557 CV 1
ASSI { 416}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HB3 ))
3.700 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 7.202 ppm2 3.168 CV 1
ASSI { 418}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 25 and name HB3 ))
4.100 2.100 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.74610E-03 ppm1 7.197 ppm2 2.709 CV 1
ASSI { 419}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 20 and name HB3 ))
3.900 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.87864E-03 ppm1 7.201 ppm2 2.169 CV 1
ASSI { 420}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HB2 ))
3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 7.195 ppm2 1.718 CV 1
OR { 420}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HD2 ))
ASSI { 421}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HG2 ))
3.100 1.200 1.200 peak 421 spectrum 1 weight 0.10000E+01 volume 0.17440E-02 ppm1 7.196 ppm2 1.514 CV 1
OR { 421}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HD3 ))
ASSI { 422}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HG3 ))
3.500 1.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.91241E-03 ppm1 7.189 ppm2 1.321 CV 1
ASSI { 426}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 26 and name H ))
4.400 2.400 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.87454E-03 ppm1 7.197 ppm2 9.346 CV 1
ASSI { 427}
(( segid "A " and resid 28 and name H ))
( segid "A " and resid 27 and name HD% )
3.300 1.400 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 7.199 ppm2 7.492 CV 1
ASSI { 428}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 33 and name H ))
3.800 1.800 1.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.78194E-03 ppm1 9.626 ppm2 8.687 CV 1
ASSI { 430}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 30 and name HA ))
3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.92981E-03 ppm1 9.632 ppm2 4.797 CV 1
ASSI { 432}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 33 and name HB2 ))
2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 9.633 ppm2 2.236 CV 1
ASSI { 435}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HG ))
4.500 2.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.71030E-03 ppm1 9.622 ppm2 1.206 CV 1
ASSI { 436}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HD23))
4.600 2.700 1.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 9.624 ppm2 0.283 CV 1
OR { 436}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HD21))
OR { 436}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HD22))
ASSI { 438}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 32 and name H ))
2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21984E-02 ppm1 8.391 ppm2 7.662 CV 1
ASSI { 439}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 30 and name HD22))
4.900 3.000 1.100 peak 439 spectrum 1 weight 0.10000E+01 volume 0.63762E-03 ppm1 8.391 ppm2 7.450 CV 1
ASSI { 441}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 30 and name HA ))
2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.33907E-02 ppm1 8.389 ppm2 4.792 CV 1
ASSI { 444}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 30 and name HB2 ))
2.400 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 8.390 ppm2 3.473 CV 1
ASSI { 445}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HE3 ))
3.800 1.800 1.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.20735E-02 ppm1 8.390 ppm2 3.042 CV 1
OR { 445}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HE2 ))
ASSI { 447}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HB2 ))
2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.75430E-02 ppm1 8.390 ppm2 1.899 CV 1
OR { 447}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 448}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HG2 ))
3.700 1.700 1.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.97688E-03 ppm1 8.385 ppm2 1.569 CV 1
ASSI { 449}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HG3 ))
2.500 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.85613E-03 ppm1 8.390 ppm2 1.496 CV 1
ASSI { 451}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 30 and name HA ))
4.200 2.200 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.80496E-03 ppm1 7.662 ppm2 4.791 CV 1
ASSI { 452}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 32 and name HA ))
2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.56749E-02 ppm1 7.662 ppm2 4.149 CV 1
ASSI { 453}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 32 and name HB3 ))
2.300 0.600 0.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.94466E-02 ppm1 7.663 ppm2 4.002 CV 1
OR { 453}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 32 and name HB2 ))
ASSI { 455}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 30 and name HB3 ))
3.900 1.900 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.96155E-03 ppm1 7.662 ppm2 3.032 CV 1
ASSI { 457}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 33 and name HB2 ))
4.400 2.500 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.63710E-03 ppm1 7.664 ppm2 2.233 CV 1
ASSI { 458}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HB2 ))
2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.45698E-02 ppm1 7.662 ppm2 1.897 CV 1
OR { 458}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 460}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HG2 ))
4.800 2.800 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.79062E-03 ppm1 7.662 ppm2 1.567 CV 1
ASSI { 461}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HG3 ))
4.100 2.100 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.83618E-03 ppm1 7.663 ppm2 1.502 CV 1
ASSI { 462}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 34 and name H ))
3.900 1.900 1.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 7.665 ppm2 8.926 CV 1
ASSI { 463}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 33 and name H ))
2.400 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.39725E-02 ppm1 7.663 ppm2 8.687 CV 1
ASSI { 465}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 33 and name H ))
2.600 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21672E-02 ppm1 8.922 ppm2 8.690 CV 1
ASSI { 466}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 35 and name H ))
2.700 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.19968E-02 ppm1 8.921 ppm2 7.964 CV 1
ASSI { 468}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 32 and name HA ))
4.000 2.000 2.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.64069E-03 ppm1 8.928 ppm2 4.156 CV 1
ASSI { 469}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 33 and name HA ))
3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19077E-02 ppm1 8.921 ppm2 4.072 CV 1
ASSI { 470}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 33 and name HB2 ))
2.600 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.13325E-02 ppm1 8.921 ppm2 2.216 CV 1
ASSI { 471}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.16902E-02 ppm1 8.923 ppm2 2.028 CV 1
ASSI { 473}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HG ))
3.200 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.93033E-03 ppm1 8.924 ppm2 1.534 CV 1
ASSI { 474}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HB3 ))
3.500 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.21580E-02 ppm1 8.924 ppm2 1.381 CV 1
ASSI { 475}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HD21))
3.600 1.700 1.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.27961E-02 ppm1 8.924 ppm2 0.773 CV 1
OR { 475}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HD11))
OR { 475}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HD12))
OR { 475}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HD22))
OR { 475}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 34 and name HD23))
ASSI { 476}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 29 and name HD23))
3.700 1.800 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 8.921 ppm2 0.276 CV 1
OR { 476}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 29 and name HD21))
OR { 476}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 29 and name HD22))
ASSI { 477}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 30 and name H ))
4.100 2.100 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.75940E-03 ppm1 8.926 ppm2 9.633 CV 1
ASSI { 479}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 31 and name HA ))
3.200 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.14615E-02 ppm1 8.925 ppm2 4.047 CV 1
ASSI { 480}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 36 and name H ))
2.900 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.19722E-02 ppm1 7.967 ppm2 7.847 CV 1
ASSI { 481}
(( segid "A " and resid 35 and name H ))
( segid "A " and resid 55 and name HE% )
3.500 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.10772E-02 ppm1 7.966 ppm2 7.214 CV 1
OR { 481}
(( segid "A " and resid 35 and name H ))
( segid "A " and resid 55 and name HD% )
ASSI { 482}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 32 and name HA ))
3.200 1.300 1.300 peak 482 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 7.968 ppm2 4.152 CV 1
ASSI { 483}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 31 and name HA ))
3.500 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.89194E-03 ppm1 7.968 ppm2 4.028 CV 1
ASSI { 484}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HA ))
3.500 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.71743E-03 ppm1 7.965 ppm2 3.950 CV 1
ASSI { 485}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HA ))
2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.26119E-02 ppm1 7.966 ppm2 3.440 CV 1
ASSI { 487}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HB2 ))
3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.96972E-03 ppm1 7.966 ppm2 2.029 CV 1
ASSI { 489}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HB2 ))
2.600 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 7.966 ppm2 1.784 CV 1
ASSI { 490}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HG ))
4.400 2.500 1.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.66474E-03 ppm1 7.968 ppm2 1.536 CV 1
ASSI { 491}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HB3 ))
2.700 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.44703E-02 ppm1 7.966 ppm2 1.379 CV 1
OR { 491}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HD3 ))
ASSI { 492}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HG2 ))
4.500 2.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.11499E-02 ppm1 7.966 ppm2 0.900 CV 1
ASSI { 493}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 35 and name HG3 ))
4.300 2.300 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11273E-02 ppm1 7.964 ppm2 0.879 CV 1
ASSI { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD21))
3.900 1.900 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17593E-02 ppm1 7.966 ppm2 0.779 CV 1
OR { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD23))
OR { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD12))
OR { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD11))
OR { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD22))
OR { 494}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 34 and name HD13))
ASSI { 496}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 34 and name HA ))
3.800 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.68931E-03 ppm1 7.849 ppm2 3.966 CV 1
ASSI { 498}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HA ))
3.300 1.400 1.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 7.847 ppm2 3.435 CV 1
ASSI { 499}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 36 and name HG2 ))
4.200 2.300 1.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18054E-02 ppm1 7.851 ppm2 2.498 CV 1
ASSI { 502}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 38 and name HB2 ))
4.200 2.200 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 7.849 ppm2 1.887 CV 1
OR { 502}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 38 and name HG ))
ASSI { 503}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HB2 ))
3.800 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 7.845 ppm2 1.782 CV 1
ASSI { 504}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HB3 ))
2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24031E-02 ppm1 7.847 ppm2 1.377 CV 1
ASSI { 505}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HG2 ))
3.800 1.800 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.11713E-02 ppm1 7.845 ppm2 0.893 CV 1
OR { 505}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name HG3 ))
ASSI { 507}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 34 and name H ))
3.900 1.900 1.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.62890E-03 ppm1 7.844 ppm2 8.932 CV 1
ASSI { 510}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 34 and name HA ))
3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.61663E-03 ppm1 8.551 ppm2 3.950 CV 1
ASSI { 512}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 38 and name HA ))
2.400 0.700 0.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17358E-02 ppm1 8.556 ppm2 3.801 CV 1
ASSI { 514}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HA ))
3.800 1.800 1.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.66319E-03 ppm1 8.559 ppm2 2.594 CV 1
ASSI { 515}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 38 and name HB2 ))
2.000 0.500 0.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.44332E-02 ppm1 8.557 ppm2 1.898 CV 1
OR { 515}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 38 and name HG ))
ASSI { 516}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 38 and name HB3 ))
3.200 1.300 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22972E-02 ppm1 8.558 ppm2 1.671 CV 1
ASSI { 520}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 34 and name HD21))
4.100 2.100 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.71181E-03 ppm1 8.556 ppm2 0.767 CV 1
OR { 520}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 34 and name HD23))
OR { 520}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 34 and name HD22))
OR { 520}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 34 and name HD12))
ASSI { 523}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 39 and name HA ))
2.700 0.900 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 7.941 ppm2 3.902 CV 1
ASSI { 525}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HB2 ))
2.900 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.18008E-02 ppm1 7.941 ppm2 1.896 CV 1
OR { 525}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HG ))
ASSI { 532}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 40 and name H ))
2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.12758E-02 ppm1 7.941 ppm2 8.112 CV 1
ASSI { 534}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 42 and name H ))
3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.60947E-03 ppm1 8.115 ppm2 7.703 CV 1
ASSI { 535}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HA ))
2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.26027E-02 ppm1 8.112 ppm2 4.420 CV 1
ASSI { 536}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HB ))
3.400 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 8.110 ppm2 4.241 CV 1
ASSI { 538}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HD2 ))
4.600 2.600 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.68776E-03 ppm1 8.112 ppm2 3.407 CV 1
OR { 538}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HD3 ))
ASSI { 539}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 37 and name HA ))
3.600 1.600 1.600 peak 539 spectrum 1 weight 0.10000E+01 volume 0.65809E-03 ppm1 8.108 ppm2 2.603 CV 1
ASSI { 540}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HB2 ))
2.500 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.20479E-02 ppm1 8.110 ppm2 2.183 CV 1
ASSI { 541}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HB3 ))
3.400 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.33135E-02 ppm1 8.111 ppm2 1.999 CV 1
OR { 541}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 543}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HG23))
4.100 2.100 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 8.112 ppm2 1.350 CV 1
OR { 543}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HG21))
OR { 543}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HG22))
ASSI { 546}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name H ))
2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 8.576 ppm2 8.112 CV 1
ASSI { 547}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name H ))
2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 8.576 ppm2 7.703 CV 1
ASSI { 551}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HG2 ))
4.500 2.600 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.81161E-03 ppm1 8.575 ppm2 2.629 CV 1
ASSI { 552}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB2 ))
2.600 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 8.574 ppm2 2.411 CV 1
ASSI { 553}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 41 and name HB3 ))
3.600 1.600 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 8.573 ppm2 2.170 CV 1
ASSI { 554}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name HB3 ))
3.600 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 8.575 ppm2 1.999 CV 1
OR { 554}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 556}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HD11))
3.600 1.600 1.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.59155E-03 ppm1 8.575 ppm2 0.869 CV 1
OR { 556}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HD12))
OR { 556}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HD13))
ASSI { 558}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HA ))
3.500 1.600 1.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.71233E-03 ppm1 7.699 ppm2 4.934 CV 1
ASSI { 559}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 38 and name HA ))
2.900 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.11217E-02 ppm1 7.704 ppm2 3.799 CV 1
ASSI { 560}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name HD2 ))
4.300 2.400 1.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.74814E-03 ppm1 7.703 ppm2 3.747 CV 1
ASSI { 561}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 43 and name HD3 ))
2.800 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.13039E-02 ppm1 7.697 ppm2 3.228 CV 1
ASSI { 562}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 41 and name HB2 ))
4.000 2.000 2.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.60078E-03 ppm1 7.702 ppm2 2.426 CV 1
ASSI { 564}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HB2 ))
2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 7.705 ppm2 2.137 CV 1
ASSI { 565}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 40 and name HB3 ))
2.800 2.800 3.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.65757E-03 ppm1 7.702 ppm2 2.006 CV 1
ASSI { 566}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HB3 ))
3.800 1.800 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 7.704 ppm2 1.933 CV 1
ASSI { 567}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 42 and name HG ))
3.600 1.600 1.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.95541E-03 ppm1 7.700 ppm2 1.544 CV 1
ASSI { 574}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 45 and name H ))
2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 9.804 ppm2 7.945 CV 1
ASSI { 575}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 46 and name H ))
3.900 1.900 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.67804E-03 ppm1 9.800 ppm2 7.282 CV 1
ASSI { 576}
(( segid "A " and resid 44 and name H ))
( segid "A " and resid 45 and name HD% )
4.000 2.000 2.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.71130E-03 ppm1 9.802 ppm2 7.186 CV 1
ASSI { 577}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HA ))
3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.68983E-03 ppm1 9.807 ppm2 4.344 CV 1
ASSI { 578}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HA ))
3.000 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 9.803 ppm2 4.234 CV 1
ASSI { 579}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB2 ))
3.500 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 9.803 ppm2 3.603 CV 1
ASSI { 580}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 44 and name HB3 ))
3.500 1.500 1.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.89552E-03 ppm1 9.808 ppm2 3.475 CV 1
ASSI { 581}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HD3 ))
4.800 2.900 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.63300E-03 ppm1 9.807 ppm2 3.237 CV 1
ASSI { 582}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB2 ))
3.500 1.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.65861E-03 ppm1 9.807 ppm2 2.412 CV 1
ASSI { 583}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HG2 ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.99225E-03 ppm1 9.805 ppm2 2.103 CV 1
ASSI { 584}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HG3 ))
4.400 2.400 1.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 9.800 ppm2 2.060 CV 1
ASSI { 585}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name H ))
2.400 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.37055E-02 ppm1 7.947 ppm2 7.283 CV 1
ASSI { 586}
(( segid "A " and resid 45 and name H ))
( segid "A " and resid 45 and name HD% )
2.600 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 7.947 ppm2 7.191 CV 1
ASSI { 587}
(( segid "A " and resid 45 and name H ))
( segid "A " and resid 45 and name HE% )
4.300 2.300 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.73535E-03 ppm1 7.944 ppm2 6.997 CV 1
ASSI { 588}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HA ))
2.800 1.000 1.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.29358E-02 ppm1 7.947 ppm2 4.472 CV 1
ASSI { 590}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB2 ))
2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 7.945 ppm2 3.383 CV 1
ASSI { 591}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 45 and name HB3 ))
3.900 1.900 1.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.14861E-02 ppm1 7.946 ppm2 2.865 CV 1
ASSI { 592}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 42 and name HB2 ))
4.200 2.300 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.58131E-03 ppm1 7.948 ppm2 2.123 CV 1
ASSI { 594}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HB2 ))
4.500 2.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.83976E-03 ppm1 7.951 ppm2 1.823 CV 1
OR { 594}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 595}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD12))
5.000 3.100 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.62890E-03 ppm1 7.949 ppm2 1.065 CV 1
OR { 595}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD13))
OR { 595}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD11))
ASSI { 599}
(( segid "A " and resid 46 and name H ))
( segid "A " and resid 45 and name HD% )
4.100 2.100 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 7.287 ppm2 7.195 CV 1
ASSI { 600}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HA ))
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.52504E-02 ppm1 7.283 ppm2 4.473 CV 1
ASSI { 601}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 43 and name HA ))
3.300 1.400 1.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 7.283 ppm2 4.342 CV 1
ASSI { 603}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HB2 ))
3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.79524E-03 ppm1 7.284 ppm2 3.380 CV 1
ASSI { 604}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 45 and name HB3 ))
3.900 1.900 1.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.92113E-03 ppm1 7.280 ppm2 2.866 CV 1
ASSI { 605}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HG ))
2.300 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.36477E-02 ppm1 7.284 ppm2 1.943 CV 1
ASSI { 606}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HB2 ))
2.300 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.58696E-02 ppm1 7.282 ppm2 1.820 CV 1
OR { 606}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 611}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name H ))
3.000 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.12916E-02 ppm1 8.584 ppm2 7.287 CV 1
ASSI { 613}
(( segid "A " and resid 47 and name H ))
(( segid "C " and resid 1897 and name HE22))
3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 8.586 ppm2 6.476 CV 1
ASSI { 615}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HA2 ))
2.500 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.36751E-02 ppm1 8.587 ppm2 4.240 CV 1
ASSI { 616}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 47 and name HA3 ))
3.000 1.100 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.37465E-02 ppm1 8.586 ppm2 4.005 CV 1
ASSI { 618}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HB2 ))
2.800 1.000 1.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.25556E-02 ppm1 8.586 ppm2 1.820 CV 1
OR { 618}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HB3 ))
ASSI { 624}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HA ))
2.400 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.48445E-02 ppm1 8.568 ppm2 4.246 CV 1
ASSI { 626}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.19553E-02 ppm1 8.566 ppm2 1.958 CV 1
ASSI { 627}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HB3 ))
3.400 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 8.565 ppm2 1.853 CV 1
ASSI { 628}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HG2 ))
4.100 2.100 1.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 8.568 ppm2 1.550 CV 1
OR { 628}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HG3 ))
ASSI { 630}
(( segid "A " and resid 49 and name H ))
(( segid "C " and resid 1897 and name HE22))
4.000 2.000 2.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.68624E-03 ppm1 8.262 ppm2 6.474 CV 1
ASSI { 635}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 47 and name HA3 ))
3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 8.259 ppm2 3.998 CV 1
ASSI { 637}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HB2 ))
3.200 1.300 1.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.52042E-02 ppm1 8.259 ppm2 1.970 CV 1
ASSI { 638}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HB3 ))
2.400 0.700 0.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.65041E-02 ppm1 8.262 ppm2 1.829 CV 1
ASSI { 639}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HG3 ))
3.500 1.500 1.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.20300E-02 ppm1 8.260 ppm2 1.653 CV 1
ASSI { 641}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 54 and name HB2 ))
4.300 2.300 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.73997E-03 ppm1 8.256 ppm2 1.302 CV 1
OR { 641}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 54 and name HB3 ))
OR { 641}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 54 and name HB1 ))
ASSI { 642}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 50 and name HG22))
4.000 2.000 2.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.65502E-03 ppm1 8.256 ppm2 1.165 CV 1
OR { 642}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 50 and name HG23))
OR { 642}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 50 and name HG21))
ASSI { 644}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name H ))
2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.32454E-02 ppm1 8.259 ppm2 8.573 CV 1
ASSI { 645}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 51 and name HA ))
3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.92878E-03 ppm1 8.303 ppm2 4.737 CV 1
ASSI { 646}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HA ))
2.200 0.600 0.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.95131E-02 ppm1 8.304 ppm2 4.538 CV 1
ASSI { 647}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HA ))
2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.27951E-02 ppm1 8.304 ppm2 4.429 CV 1
ASSI { 648}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HB2 ))
4.100 2.100 1.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.96206E-03 ppm1 8.305 ppm2 1.972 CV 1
ASSI { 650}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HG3 ))
4.000 2.000 2.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.82081E-03 ppm1 8.302 ppm2 1.649 CV 1
ASSI { 652}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 54 and name HB3 ))
4.700 2.700 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.62225E-03 ppm1 8.304 ppm2 1.298 CV 1
OR { 652}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 54 and name HB2 ))
OR { 652}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 54 and name HB1 ))
ASSI { 658}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 54 and name H ))
3.300 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.80496E-03 ppm1 8.250 ppm2 7.873 CV 1
ASSI { 659}
(( segid "A " and resid 51 and name H ))
( segid "A " and resid 55 and name HD% )
3.700 1.700 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.12302E-02 ppm1 8.250 ppm2 7.215 CV 1
OR { 659}
(( segid "A " and resid 51 and name H ))
( segid "A " and resid 55 and name HE% )
ASSI { 661}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HA ))
2.600 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.45469E-02 ppm1 8.252 ppm2 4.754 CV 1
ASSI { 662}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 49 and name HA ))
3.300 3.300 2.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.20229E-02 ppm1 8.252 ppm2 4.534 CV 1
ASSI { 664}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 54 and name HA ))
4.900 3.000 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.66319E-03 ppm1 8.251 ppm2 4.085 CV 1
ASSI { 665}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HB2 ))
2.700 0.900 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.23437E-02 ppm1 8.251 ppm2 2.952 CV 1
ASSI { 666}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 51 and name HB3 ))
3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 8.252 ppm2 2.847 CV 1
ASSI { 667}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 46 and name HB3 ))
4.100 2.100 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.72053E-03 ppm1 8.252 ppm2 1.803 CV 1
ASSI { 672}
(( segid "A " and resid 51 and name H ))
(( segid "A " and resid 52 and name H ))
4.300 2.300 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 8.247 ppm2 8.795 CV 1
ASSI { 673}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 53 and name H ))
2.600 0.800 0.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.29102E-02 ppm1 8.796 ppm2 8.337 CV 1
ASSI { 675}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 54 and name H ))
4.800 2.900 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.60027E-03 ppm1 8.798 ppm2 7.874 CV 1
ASSI { 676}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 55 and name HD% )
4.200 2.200 1.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.71743E-03 ppm1 8.794 ppm2 7.213 CV 1
OR { 676}
(( segid "A " and resid 52 and name H ))
( segid "A " and resid 55 and name HE% )
ASSI { 677}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HA ))
2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.79624E-02 ppm1 8.795 ppm2 4.754 CV 1
ASSI { 678}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 53 and name HA ))
4.600 2.700 1.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.60488E-03 ppm1 8.792 ppm2 4.239 CV 1
ASSI { 679}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HA ))
2.600 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.42847E-02 ppm1 8.796 ppm2 4.167 CV 1
ASSI { 680}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 680 spectrum 1 weight 0.10000E+01 volume 0.30817E-02 ppm1 8.795 ppm2 2.953 CV 1
ASSI { 681}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 51 and name HB3 ))
2.400 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.25484E-02 ppm1 8.795 ppm2 2.848 CV 1
ASSI { 683}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HB3 ))
3.200 1.300 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.51632E-02 ppm1 8.797 ppm2 2.130 CV 1
ASSI { 686}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 51 and name H ))
3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.55371E-03 ppm1 8.336 ppm2 8.257 CV 1
ASSI { 687}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 54 and name H ))
2.300 0.700 0.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.71078E-02 ppm1 8.338 ppm2 7.874 CV 1
ASSI { 688}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 55 and name H ))
3.400 1.400 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.92419E-03 ppm1 8.337 ppm2 7.780 CV 1
ASSI { 689}
(( segid "A " and resid 53 and name H ))
( segid "A " and resid 55 and name HD% )
4.200 2.200 1.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.61202E-03 ppm1 8.341 ppm2 7.216 CV 1
ASSI { 691}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 51 and name HA ))
3.800 1.800 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 8.338 ppm2 4.753 CV 1
ASSI { 692}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 53 and name HA ))
2.300 0.700 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.83718E-02 ppm1 8.337 ppm2 4.236 CV 1
ASSI { 693}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HA ))
2.900 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.24394E-02 ppm1 8.337 ppm2 4.167 CV 1
ASSI { 694}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 54 and name HA ))
4.700 2.800 1.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.61715E-03 ppm1 8.333 ppm2 4.087 CV 1
ASSI { 695}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 51 and name HB2 ))
3.000 1.100 1.100 peak 695 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 8.340 ppm2 2.951 CV 1
ASSI { 696}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HG2 ))
3.700 1.700 1.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 8.338 ppm2 2.414 CV 1
ASSI { 697}
(( segid "A " and resid 53 and name H ))
(( segid "A " and resid 52 and name HB3 ))
3.200 1.300 1.300 peak 697 spectrum 1 weight 0.10000E+01 volume 0.41026E-02 ppm1 8.338 ppm2 2.143 CV 1
ASSI { 702}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 55 and name H ))
2.400 0.700 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.43431E-02 ppm1 7.873 ppm2 7.778 CV 1
ASSI { 703}
(( segid "A " and resid 54 and name H ))
( segid "A " and resid 55 and name HD% )
3.800 1.800 1.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 7.872 ppm2 7.216 CV 1
ASSI { 704}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 51 and name HA ))
4.500 2.500 1.500 peak 704 spectrum 1 weight 0.10000E+01 volume 0.64172E-03 ppm1 7.872 ppm2 4.760 CV 1
ASSI { 706}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 54 and name HA ))
2.400 0.700 0.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.63507E-02 ppm1 7.872 ppm2 4.089 CV 1
ASSI { 707}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 55 and name HB3 ))
5.600 4.000 0.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.64324E-03 ppm1 7.875 ppm2 3.033 CV 1
ASSI { 713}
(( segid "A " and resid 55 and name H ))
( segid "A " and resid 55 and name HD% )
2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.36435E-02 ppm1 7.777 ppm2 7.216 CV 1
ASSI { 715}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HA ))
2.700 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.36655E-02 ppm1 7.776 ppm2 4.247 CV 1
ASSI { 716}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 66 and name HA ))
2.000 0.500 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.96103E-02 ppm1 7.782 ppm2 4.159 CV 1
ASSI { 717}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 54 and name HA ))
3.200 1.300 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 7.779 ppm2 4.088 CV 1
ASSI { 718}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 56 and name HA ))
4.700 2.800 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.77836E-03 ppm1 7.776 ppm2 3.979 CV 1
ASSI { 721}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB2 ))
2.400 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.28442E-02 ppm1 7.776 ppm2 3.177 CV 1
ASSI { 722}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 55 and name HB3 ))
3.500 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.34717E-02 ppm1 7.775 ppm2 3.038 CV 1
ASSI { 723}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 56 and name HB2 ))
4.500 2.500 1.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.90321E-03 ppm1 7.775 ppm2 2.226 CV 1
OR { 723}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 732}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 51 and name H ))
3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.75020E-03 ppm1 7.782 ppm2 8.252 CV 1
ASSI { 733}
(( segid "A " and resid 55 and name H ))
(( segid "A " and resid 57 and name H ))
4.100 2.100 1.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.60588E-03 ppm1 7.777 ppm2 8.127 CV 1
ASSI { 736}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name H ))
2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.26160E-02 ppm1 7.900 ppm2 7.778 CV 1
ASSI { 737}
(( segid "A " and resid 56 and name H ))
( segid "A " and resid 55 and name HD% )
4.900 3.000 1.100 peak 737 spectrum 1 weight 0.10000E+01 volume 0.64582E-03 ppm1 7.896 ppm2 7.216 CV 1
ASSI { 739}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 52 and name HA ))
4.100 2.100 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.54754E-03 ppm1 7.896 ppm2 4.164 CV 1
ASSI { 740}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 54 and name HA ))
3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.69289E-03 ppm1 7.904 ppm2 4.092 CV 1
ASSI { 741}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HA ))
2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.34643E-02 ppm1 7.900 ppm2 3.983 CV 1
ASSI { 742}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB2 ))
3.400 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 7.902 ppm2 3.182 CV 1
ASSI { 743}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HB3 ))
3.600 1.600 1.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.13243E-02 ppm1 7.902 ppm2 3.040 CV 1
ASSI { 745}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HB2 ))
2.500 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.45052E-02 ppm1 7.900 ppm2 2.230 CV 1
OR { 745}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 747}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 59 and name HB3 ))
4.300 2.300 1.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.59616E-03 ppm1 7.892 ppm2 1.845 CV 1
ASSI { 749}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 54 and name HB3 ))
2.900 2.900 3.100 peak 749 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 7.904 ppm2 1.305 CV 1
OR { 749}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 54 and name HB2 ))
OR { 749}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 54 and name HB1 ))
ASSI { 750}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 58 and name H ))
4.300 2.300 1.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.68059E-03 ppm1 7.900 ppm2 8.360 CV 1
ASSI { 751}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 57 and name H ))
2.800 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.23340E-02 ppm1 7.900 ppm2 8.119 CV 1
ASSI { 752}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 59 and name H ))
3.600 1.600 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.89194E-03 ppm1 8.117 ppm2 7.963 CV 1
ASSI { 754}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 55 and name HA ))
3.400 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10542E-02 ppm1 8.116 ppm2 4.245 CV 1
ASSI { 758}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 56 and name HB3 ))
2.700 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.22818E-02 ppm1 8.116 ppm2 2.218 CV 1
ASSI { 759}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HB3 ))
2.600 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.32683E-02 ppm1 8.118 ppm2 1.915 CV 1
ASSI { 760}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HB2 ))
2.600 0.900 0.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.33568E-02 ppm1 8.117 ppm2 1.871 CV 1
ASSI { 761}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HD3 ))
4.800 2.900 1.200 peak 761 spectrum 1 weight 0.10000E+01 volume 0.76760E-03 ppm1 8.117 ppm2 1.767 CV 1
ASSI { 763}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 58 and name H ))
2.700 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 8.117 ppm2 8.360 CV 1
ASSI { 766}
(( segid "A " and resid 58 and name H ))
(( segid "C " and resid 1900 and name HB3 ))
3.800 1.800 1.800 peak 766 spectrum 1 weight 0.10000E+01 volume 0.66936E-03 ppm1 8.355 ppm2 2.068 CV 1
ASSI { 768}
(( segid "A " and resid 58 and name H ))
(( segid "A " and resid 58 and name HB2 ))
2.400 0.700 0.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.18939E-02 ppm1 8.359 ppm2 1.745 CV 1
ASSI { 773}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 55 and name HA ))
3.400 1.400 1.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 7.956 ppm2 4.247 CV 1
ASSI { 774}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 60 and name HB2 ))
4.400 2.400 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.87915E-03 ppm1 7.951 ppm2 4.062 CV 1
OR { 774}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 775}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 56 and name HA ))
3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.17547E-02 ppm1 7.955 ppm2 3.982 CV 1
ASSI { 777}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HG2 ))
4.300 2.300 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 7.954 ppm2 2.527 CV 1
ASSI { 779}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HB2 ))
2.300 0.600 0.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.32147E-02 ppm1 7.955 ppm2 2.177 CV 1
ASSI { 780}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HB3 ))
2.900 1.100 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.37626E-02 ppm1 7.954 ppm2 1.853 CV 1
ASSI { 781}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HB2 ))
3.600 1.600 1.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 7.955 ppm2 1.742 CV 1
ASSI { 782}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HB3 ))
2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.14789E-02 ppm1 7.954 ppm2 1.572 CV 1
ASSI { 783}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HG ))
3.200 1.300 1.300 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11575E-02 ppm1 7.957 ppm2 1.406 CV 1
ASSI { 784}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HD11))
4.400 2.400 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.94925E-03 ppm1 7.954 ppm2 0.867 CV 1
OR { 784}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HD13))
OR { 784}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HD12))
ASSI { 786}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name H ))
2.900 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 7.954 ppm2 8.355 CV 1
ASSI { 787}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 60 and name H ))
2.700 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.26671E-02 ppm1 7.955 ppm2 8.074 CV 1
ASSI { 789}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 62 and name H ))
3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.73997E-03 ppm1 8.077 ppm2 7.718 CV 1
ASSI { 790}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 61 and name HA ))
4.600 2.600 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.80189E-03 ppm1 8.072 ppm2 4.450 CV 1
ASSI { 791}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 60 and name HA ))
2.500 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.58951E-02 ppm1 8.072 ppm2 4.243 CV 1
ASSI { 792}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 57 and name HA ))
2.800 1.000 1.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.24307E-02 ppm1 8.072 ppm2 4.136 CV 1
ASSI { 794}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 56 and name HA ))
3.400 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 8.075 ppm2 3.984 CV 1
ASSI { 798}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HB2 ))
3.300 1.300 1.300 peak 798 spectrum 1 weight 0.10000E+01 volume 0.29286E-02 ppm1 8.071 ppm2 2.178 CV 1
ASSI { 799}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HB3 ))
2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.23637E-02 ppm1 8.073 ppm2 1.854 CV 1
ASSI { 802}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 61 and name H ))
2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.40151E-02 ppm1 8.072 ppm2 8.334 CV 1
ASSI { 806}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 59 and name H ))
3.400 1.500 1.500 peak 806 spectrum 1 weight 0.10000E+01 volume 0.91344E-03 ppm1 8.335 ppm2 7.949 CV 1
ASSI { 808}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name H ))
2.400 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 8.332 ppm2 7.711 CV 1
ASSI { 809}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 60 and name HA ))
3.000 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.21713E-02 ppm1 8.333 ppm2 4.244 CV 1
ASSI { 810}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 57 and name HA ))
3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 8.340 ppm2 4.134 CV 1
ASSI { 813}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HB2 ))
2.400 0.700 0.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.24676E-02 ppm1 8.333 ppm2 3.150 CV 1
ASSI { 814}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HB3 ))
3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.23156E-02 ppm1 8.333 ppm2 2.893 CV 1
ASSI { 819}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name HD22))
5.000 3.100 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.55113E-03 ppm1 8.328 ppm2 0.282 CV 1
OR { 819}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name HD21))
OR { 819}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name HD23))
ASSI { 820}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 61 and name HA ))
2.500 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.52401E-02 ppm1 8.333 ppm2 4.451 CV 1
ASSI { 821}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 63 and name HA ))
4.400 2.400 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.90782E-03 ppm1 7.721 ppm2 4.789 CV 1
ASSI { 822}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HA ))
3.300 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.13418E-02 ppm1 7.711 ppm2 4.452 CV 1
ASSI { 824}
(( segid "B " and resid 32 and name H ))
(( segid "B " and resid 32 and name HA ))
2.500 0.800 0.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.60130E-02 ppm1 7.720 ppm2 4.141 CV 1
ASSI { 825}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 60 and name HB3 ))
3.200 1.200 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.21575E-02 ppm1 7.720 ppm2 4.075 CV 1
ASSI { 828}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HB2 ))
3.600 1.600 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.73177E-03 ppm1 7.711 ppm2 3.153 CV 1
ASSI { 829}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 57 and name HE2 ))
4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.59720E-03 ppm1 7.722 ppm2 3.057 CV 1
ASSI { 830}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 61 and name HB3 ))
3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.91499E-03 ppm1 7.713 ppm2 2.906 CV 1
ASSI { 831}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 59 and name HG3 ))
4.100 2.100 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.61970E-03 ppm1 7.719 ppm2 2.422 CV 1
ASSI { 832}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HG ))
3.500 1.600 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.711 ppm2 2.051 CV 1
ASSI { 834}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 62 and name HB2 ))
2.600 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.14543E-02 ppm1 7.715 ppm2 1.783 CV 1
ASSI { 836}
(( segid "A " and resid 62 and name H ))
( segid "C " and resid 1904 and name HG2%)
4.800 2.900 1.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.67446E-03 ppm1 7.717 ppm2 1.493 CV 1
ASSI { 846}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name H ))
2.700 0.900 0.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.24113E-02 ppm1 7.869 ppm2 7.711 CV 1
ASSI { 847}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HA ))
2.600 0.900 0.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.31584E-02 ppm1 7.869 ppm2 4.777 CV 1
ASSI { 849}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HA ))
3.500 1.600 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 7.870 ppm2 4.334 CV 1
ASSI { 850}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 60 and name HA ))
3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.19323E-02 ppm1 7.871 ppm2 4.242 CV 1
ASSI { 851}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 59 and name HA ))
3.700 1.700 1.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.73638E-03 ppm1 7.868 ppm2 3.872 CV 1
ASSI { 852}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HB2 ))
2.500 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.37119E-02 ppm1 7.870 ppm2 2.930 CV 1
ASSI { 853}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 63 and name HB3 ))
3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 7.868 ppm2 2.442 CV 1
ASSI { 854}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HG ))
4.500 2.600 1.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.75530E-03 ppm1 7.865 ppm2 2.047 CV 1
ASSI { 855}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HB2 ))
3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.68983E-03 ppm1 7.871 ppm2 1.786 CV 1
ASSI { 856}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HB3 ))
3.600 1.600 1.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.57876E-03 ppm1 7.870 ppm2 1.273 CV 1
ASSI { 859}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HD22))
4.800 2.800 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.70055E-03 ppm1 7.869 ppm2 0.280 CV 1
OR { 859}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HD21))
OR { 859}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 62 and name HD23))
ASSI { 860}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 61 and name H ))
4.400 2.400 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.67701E-03 ppm1 7.873 ppm2 8.336 CV 1
ASSI { 862}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 65 and name H ))
2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.32203E-02 ppm1 8.253 ppm2 8.016 CV 1
ASSI { 863}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name H ))
3.600 1.600 1.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.252 ppm2 7.862 CV 1
ASSI { 864}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 66 and name H ))
4.100 2.100 1.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.92778E-03 ppm1 8.256 ppm2 7.788 CV 1
ASSI { 865}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HA ))
2.100 0.500 0.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.86534E-02 ppm1 8.252 ppm2 4.775 CV 1
ASSI { 866}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 64 and name HA ))
2.600 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.61050E-02 ppm1 8.253 ppm2 4.346 CV 1
ASSI { 870}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 74 and name HG2 ))
4.000 2.000 2.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 8.252 ppm2 2.603 CV 1
ASSI { 871}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HB3 ))
3.900 1.900 1.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 8.252 ppm2 2.440 CV 1
ASSI { 874}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name H ))
2.200 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.57980E-02 ppm1 8.014 ppm2 7.783 CV 1
ASSI { 875}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 65 and name HA ))
2.700 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.41123E-02 ppm1 8.014 ppm2 4.851 CV 1
ASSI { 876}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 63 and name HA ))
3.200 1.300 1.300 peak 876 spectrum 1 weight 0.10000E+01 volume 0.16647E-02 ppm1 8.015 ppm2 4.777 CV 1
ASSI { 877}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 64 and name HA ))
3.100 1.200 1.200 peak 877 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 8.014 ppm2 4.348 CV 1
ASSI { 878}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name HA ))
4.300 2.300 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.20551E-02 ppm1 8.012 ppm2 4.159 CV 1
ASSI { 881}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 65 and name HB2 ))
3.300 1.400 1.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.17368E-02 ppm1 8.013 ppm2 3.304 CV 1
ASSI { 883}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 65 and name HB3 ))
2.900 1.100 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.20659E-02 ppm1 8.014 ppm2 2.819 CV 1
ASSI { 884}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name HB2 ))
5.000 3.100 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.68266E-03 ppm1 8.011 ppm2 2.045 CV 1
OR { 884}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 66 and name HB3 ))
ASSI { 885}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 67 and name H ))
4.000 2.000 2.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 8.012 ppm2 8.599 CV 1
ASSI { 887}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 65 and name HA ))
3.200 1.300 1.300 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16902E-02 ppm1 7.782 ppm2 4.852 CV 1
ASSI { 888}
(( segid "A " and resid 66 and name H ))
(( segid "A " and resid 64 and name HA ))
3.700 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.74507E-03 ppm1 7.784 ppm2 4.345 CV 1
ASSI { 892}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name H ))
2.800 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.32081E-02 ppm1 8.600 ppm2 7.784 CV 1
ASSI { 893}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HA ))
2.700 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.37985E-02 ppm1 8.599 ppm2 4.811 CV 1
ASSI { 895}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HB2 ))
2.900 1.100 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 8.598 ppm2 3.185 CV 1
ASSI { 896}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 67 and name HB3 ))
3.200 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.17046E-02 ppm1 8.600 ppm2 2.422 CV 1
ASSI { 897}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HB3 ))
3.900 1.900 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 8.599 ppm2 2.047 CV 1
OR { 897}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HB2 ))
ASSI { 900}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HA ))
2.600 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.39551E-02 ppm1 7.853 ppm2 4.820 CV 1
ASSI { 901}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 68 and name HA ))
2.600 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.61612E-02 ppm1 7.853 ppm2 4.132 CV 1
ASSI { 905}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HG2 ))
3.500 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.32803E-02 ppm1 7.853 ppm2 2.142 CV 1
ASSI { 906}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 59 and name HE2 ))
3.400 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 7.854 ppm2 1.898 CV 1
OR { 906}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 59 and name HE3 ))
OR { 906}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 59 and name HE1 ))
ASSI { 907}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 69 and name HB2 ))
2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.23632E-02 ppm1 7.853 ppm2 1.478 CV 1
ASSI { 908}
(( segid "A " and resid 69 and name H ))
(( segid "A " and resid 67 and name H ))
3.000 1.100 1.100 peak 908 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 7.853 ppm2 8.599 CV 1
ASSI { 909}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 29 and name H ))
3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.82953E-03 ppm1 9.997 ppm2 9.651 CV 1
ASSI { 910}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name H ))
4.100 2.100 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.64582E-03 ppm1 9.997 ppm2 7.859 CV 1
ASSI { 911}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HA ))
3.100 1.200 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.86534E-03 ppm1 9.995 ppm2 5.276 CV 1
ASSI { 913}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 70 and name HB ))
2.800 0.900 0.900 peak 913 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 10.000 ppm2 2.231 CV 1
ASSI { 916}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 69 and name HB2 ))
4.400 2.400 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.83001E-03 ppm1 9.992 ppm2 1.483 CV 1
ASSI { 920}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 62 and name HD22))
4.900 2.900 1.100 peak 920 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 9.997 ppm2 0.280 CV 1
OR { 920}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 62 and name HD23))
OR { 920}
(( segid "A " and resid 70 and name H ))
(( segid "A " and resid 62 and name HD21))
ASSI { 922}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 70 and name HA ))
2.300 0.600 0.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 9.115 ppm2 5.286 CV 1
ASSI { 923}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HA ))
3.400 1.400 1.400 peak 923 spectrum 1 weight 0.10000E+01 volume 0.62225E-03 ppm1 9.121 ppm2 5.157 CV 1
ASSI { 924}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 74 and name HG3 ))
3.300 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.60640E-03 ppm1 9.120 ppm2 2.935 CV 1
ASSI { 925}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 74 and name HG2 ))
2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 9.116 ppm2 2.595 CV 1
ASSI { 926}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 74 and name HB2 ))
4.100 2.100 1.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.87354E-03 ppm1 9.114 ppm2 2.133 CV 1
OR { 926}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 930}
(( segid "A " and resid 72 and name H ))
( segid "A " and resid 27 and name HD% )
3.500 1.600 1.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.68366E-03 ppm1 8.960 ppm2 7.474 CV 1
ASSI { 931}
(( segid "A " and resid 72 and name H ))
( segid "A " and resid 72 and name HD% )
4.700 2.700 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.81671E-03 ppm1 8.950 ppm2 6.919 CV 1
ASSI { 933}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HA ))
2.900 1.100 1.100 peak 933 spectrum 1 weight 0.10000E+01 volume 0.17317E-02 ppm1 8.954 ppm2 5.158 CV 1
ASSI { 934}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 71 and name HB2 ))
3.600 1.600 1.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 8.953 ppm2 3.569 CV 1
ASSI { 936}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB2 ))
2.700 0.900 0.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.21339E-02 ppm1 8.954 ppm2 2.761 CV 1
ASSI { 937}
(( segid "A " and resid 72 and name H ))
(( segid "A " and resid 72 and name HB3 ))
3.200 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.14641E-02 ppm1 8.954 ppm2 2.516 CV 1
ASSI { 940}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 71 and name HA ))
4.300 2.300 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.69696E-03 ppm1 8.275 ppm2 5.170 CV 1
ASSI { 941}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 73 and name HA ))
2.500 0.800 0.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.57314E-02 ppm1 8.271 ppm2 3.946 CV 1
ASSI { 942}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 71 and name HB2 ))
3.500 1.600 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.11166E-02 ppm1 8.270 ppm2 3.576 CV 1
ASSI { 945}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HG3 ))
5.000 3.100 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 8.272 ppm2 2.918 CV 1
ASSI { 947}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HG2 ))
3.600 1.600 1.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 8.270 ppm2 2.600 CV 1
ASSI { 950}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HB2 ))
4.100 2.100 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.17000E-02 ppm1 8.271 ppm2 2.136 CV 1
OR { 950}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 952}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 70 and name HG12))
4.300 2.300 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.78039E-03 ppm1 8.274 ppm2 1.180 CV 1
OR { 952}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 70 and name HG13))
OR { 952}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 70 and name HG11))
ASSI { 954}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name H ))
2.700 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 8.270 ppm2 8.959 CV 1
ASSI { 955}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 75 and name H ))
2.800 1.000 1.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33051E-02 ppm1 8.272 ppm2 8.903 CV 1
ASSI { 956}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 74 and name H ))
2.600 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.23422E-02 ppm1 8.270 ppm2 8.805 CV 1
ASSI { 958}
(( segid "B " and resid 73 and name H ))
(( segid "B " and resid 72 and name HB3 ))
2.300 0.600 0.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.34265E-02 ppm1 8.273 ppm2 2.458 CV 1
ASSI { 959}
(( segid "A " and resid 73 and name H ))
(( segid "A " and resid 72 and name HB3 ))
2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 8.273 ppm2 2.512 CV 1
ASSI { 961}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HA ))
2.800 1.000 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.12911E-02 ppm1 8.806 ppm2 4.319 CV 1
ASSI { 962}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name HA ))
3.600 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.68983E-03 ppm1 8.803 ppm2 3.944 CV 1
ASSI { 964}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HG2 ))
2.100 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.18719E-02 ppm1 8.805 ppm2 2.606 CV 1
ASSI { 965}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 73 and name HB2 ))
2.800 1.000 1.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 8.805 ppm2 2.387 CV 1
ASSI { 966}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 70 and name HB ))
4.600 2.700 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 8.805 ppm2 2.242 CV 1
ASSI { 967}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 74 and name HB3 ))
3.700 1.700 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.10752E-02 ppm1 8.804 ppm2 2.134 CV 1
ASSI { 969}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 71 and name H ))
4.500 2.500 1.500 peak 969 spectrum 1 weight 0.10000E+01 volume 0.66064E-03 ppm1 8.803 ppm2 9.122 CV 1
ASSI { 970}
(( segid "A " and resid 74 and name H ))
(( segid "A " and resid 75 and name H ))
2.800 1.000 1.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.97485E-03 ppm1 8.809 ppm2 8.916 CV 1
ASSI { 973}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 78 and name H ))
4.000 2.000 2.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.60640E-03 ppm1 8.903 ppm2 8.250 CV 1
ASSI { 974}
(( segid "A " and resid 75 and name H ))
( segid "A " and resid 75 and name HD% )
4.100 2.100 1.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 8.908 ppm2 6.919 CV 1
ASSI { 975}
(( segid "A " and resid 75 and name H ))
( segid "A " and resid 16 and name HE% )
4.200 2.200 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.95796E-03 ppm1 8.909 ppm2 6.279 CV 1
ASSI { 977}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB2 ))
2.700 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.13556E-02 ppm1 8.908 ppm2 3.261 CV 1
ASSI { 978}
(( segid "A " and resid 75 and name H ))
(( segid "A " and resid 75 and name HB3 ))
3.400 1.400 1.400 peak 978 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 8.911 ppm2 3.025 CV 1
ASSI { 983}
(( segid "A " and resid 76 and name H ))
( segid "A " and resid 75 and name HD% )
4.000 2.000 2.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.96410E-03 ppm1 8.466 ppm2 6.921 CV 1
ASSI { 984}
(( segid "A " and resid 76 and name H ))
( segid "A " and resid 16 and name HE% )
2.500 2.500 3.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 8.462 ppm2 6.279 CV 1
ASSI { 986}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 73 and name HA ))
3.300 1.400 1.400 peak 986 spectrum 1 weight 0.10000E+01 volume 0.96616E-03 ppm1 8.464 ppm2 3.940 CV 1
ASSI { 989}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HB2 ))
3.000 1.100 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.15306E-02 ppm1 8.466 ppm2 3.158 CV 1
ASSI { 990}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name HB3 ))
3.200 1.300 1.300 peak 990 spectrum 1 weight 0.10000E+01 volume 0.85358E-03 ppm1 8.463 ppm2 3.019 CV 1
ASSI { 991}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 76 and name HB3 ))
3.100 1.200 1.200 peak 991 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 8.462 ppm2 2.550 CV 1
ASSI { 995}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name HG11))
4.500 2.600 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.56598E-03 ppm1 8.461 ppm2 0.956 CV 1
OR { 995}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name HG13))
OR { 995}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 77 and name HG12))
ASSI { 996}
(( segid "A " and resid 76 and name H ))
(( segid "A " and resid 75 and name H ))
2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.14559E-02 ppm1 8.462 ppm2 8.911 CV 1
ASSI { 999}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 74 and name HA ))
3.900 1.900 1.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.93084E-03 ppm1 8.427 ppm2 4.309 CV 1
ASSI { 1000}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name HA ))
3.300 1.400 1.400 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.91599E-03 ppm1 8.432 ppm2 3.578 CV 1
ASSI { 1001}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HA ))
2.600 0.900 0.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.20172E-02 ppm1 8.431 ppm2 3.444 CV 1
ASSI { 1003}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 76 and name HB3 ))
3.600 1.700 1.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.69134E-03 ppm1 8.430 ppm2 2.556 CV 1
ASSI { 1004}
(( segid "A " and resid 77 and name H ))
(( segid "A " and resid 77 and name HB ))
3.200 1.200 1.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.25617E-02 ppm1 8.431 ppm2 2.363 CV 1
ASSI { 1011}
(( segid "A " and resid 78 and name H ))
( segid "A " and resid 78 and name HD% )
3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.21626E-02 ppm1 8.236 ppm2 7.109 CV 1
ASSI { 1012}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HA ))
2.400 0.700 0.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.39082E-02 ppm1 8.236 ppm2 4.271 CV 1
ASSI { 1013}
(( segid "B " and resid 8 and name H ))
(( segid "B " and resid 8 and name HA ))
2.400 0.700 0.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.42828E-02 ppm1 8.235 ppm2 4.150 CV 1
ASSI { 1014}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HB2 ))
3.000 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.18740E-02 ppm1 8.238 ppm2 3.827 CV 1
ASSI { 1015}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 78 and name HB3 ))
2.300 0.600 0.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.21431E-02 ppm1 8.237 ppm2 3.453 CV 1
ASSI { 1017}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 62 and name HG ))
3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 8.233 ppm2 2.062 CV 1
ASSI { 1025}
(( segid "A " and resid 78 and name H ))
(( segid "A " and resid 77 and name H ))
2.600 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 8.235 ppm2 8.437 CV 1
ASSI { 1026}
(( segid "A " and resid 79 and name H ))
( segid "A " and resid 78 and name HD% )
3.100 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 8.171 ppm2 7.112 CV 1
ASSI { 1027}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 75 and name HA ))
4.300 2.300 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.59771E-03 ppm1 8.167 ppm2 4.393 CV 1
ASSI { 1029}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 78 and name HB2 ))
3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.77836E-03 ppm1 8.174 ppm2 3.825 CV 1
ASSI { 1030}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 76 and name HA ))
3.300 1.300 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 8.171 ppm2 3.571 CV 1
ASSI { 1032}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 79 and name HB2 ))
2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 8.172 ppm2 1.641 CV 1
ASSI { 1033}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 79 and name HG ))
2.500 0.800 0.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 8.171 ppm2 1.264 CV 1
ASSI { 1034}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 79 and name HB3 ))
3.900 1.900 1.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.95693E-03 ppm1 8.173 ppm2 1.037 CV 1
ASSI { 1037}
(( segid "A " and resid 79 and name H ))
(( segid "A " and resid 78 and name H ))
2.900 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 8.168 ppm2 8.245 CV 1
ASSI { 1039}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 79 and name H ))
2.900 1.100 1.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.12476E-02 ppm1 8.285 ppm2 8.171 CV 1
ASSI { 1040}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 80 and name HB2 ))
2.400 0.700 0.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 8.285 ppm2 4.259 CV 1
ASSI { 1041}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 80 and name HA ))
2.600 0.800 0.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 8.285 ppm2 3.957 CV 1
ASSI { 1043}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 80 and name HB3 ))
3.200 1.200 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.28242E-02 ppm1 8.284 ppm2 3.435 CV 1
ASSI { 1044}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 81 and name HB2 ))
3.300 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.37720E-02 ppm1 8.285 ppm2 3.297 CV 1
ASSI { 1045}
(( segid "A " and resid 80 and name H ))
( segid "C " and resid 1910 and name HE% )
4.700 2.700 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.80906E-03 ppm1 8.283 ppm2 2.004 CV 1
OR { 1045}
(( segid "A " and resid 80 and name H ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 1048}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 79 and name HG ))
4.400 2.400 1.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.61253E-03 ppm1 8.284 ppm2 1.267 CV 1
ASSI { 1050}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 79 and name HB3 ))
3.700 1.700 1.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.73535E-03 ppm1 8.286 ppm2 1.033 CV 1
ASSI { 1053}
(( segid "A " and resid 80 and name H ))
(( segid "A " and resid 81 and name H ))
2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 8.283 ppm2 8.589 CV 1
ASSI { 1055}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 82 and name H ))
2.600 0.900 0.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.15730E-02 ppm1 8.589 ppm2 7.811 CV 1
ASSI { 1056}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HA ))
2.400 0.700 0.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.35279E-02 ppm1 8.587 ppm2 4.246 CV 1
ASSI { 1057}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 80 and name HA ))
3.200 1.300 1.300 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.98405E-03 ppm1 8.587 ppm2 3.960 CV 1
ASSI { 1059}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HB2 ))
2.300 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25894E-02 ppm1 8.586 ppm2 3.307 CV 1
ASSI { 1060}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HG ))
2.900 1.100 1.100 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.32167E-02 ppm1 8.587 ppm2 2.903 CV 1
ASSI { 1061}
(( segid "A " and resid 81 and name H ))
(( segid "A " and resid 81 and name HB3 ))
3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.14999E-02 ppm1 8.585 ppm2 2.784 CV 1
ASSI { 1062}
(( segid "A " and resid 81 and name H ))
( segid "C " and resid 1910 and name HE% )
3.900 1.900 1.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.75124E-03 ppm1 8.585 ppm2 2.008 CV 1
ASSI { 1066}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 82 and name HA ))
2.600 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.18182E-02 ppm1 7.807 ppm2 3.496 CV 1
ASSI { 1068}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 81 and name HB3 ))
3.500 1.500 1.500 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.71540E-03 ppm1 7.813 ppm2 2.784 CV 1
ASSI { 1069}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 83 and name HB3 ))
4.300 2.300 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 7.809 ppm2 1.745 CV 1
OR { 1069}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 83 and name HB1 ))
OR { 1069}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 1070}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 82 and name HB ))
2.500 0.800 0.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.23841E-02 ppm1 7.809 ppm2 1.583 CV 1
ASSI { 1073}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 82 and name HG12))
3.000 1.100 1.100 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 7.810 ppm2 0.321 CV 1
ASSI { 1076}
(( segid "A " and resid 82 and name H ))
(( segid "A " and resid 83 and name H ))
2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.18714E-02 ppm1 7.809 ppm2 8.971 CV 1
ASSI { 1081}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 80 and name HA ))
3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 8.971 ppm2 3.956 CV 1
ASSI { 1083}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name HA ))
3.300 1.400 1.400 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.88735E-03 ppm1 8.969 ppm2 3.495 CV 1
ASSI { 1086}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name HB ))
2.500 0.800 0.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.22332E-02 ppm1 8.971 ppm2 1.580 CV 1
ASSI { 1087}
(( segid "A " and resid 83 and name H ))
(( segid "A " and resid 82 and name HG13))
4.000 2.000 2.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.60437E-03 ppm1 8.970 ppm2 1.108 CV 1
ASSI { 1092}
(( segid "A " and resid 84 and name H ))
( segid "B " and resid 72 and name HE% )
3.500 1.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 8.930 ppm2 7.004 CV 1
ASSI { 1093}
(( segid "A " and resid 84 and name H ))
(( segid "A " and resid 81 and name HA ))
3.300 1.300 1.300 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 8.930 ppm2 4.239 CV 1
ASSI { 1094}
(( segid "A " and resid 84 and name H ))
(( segid "A " and resid 84 and name HA ))
2.900 1.100 1.100 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.16089E-02 ppm1 8.930 ppm2 4.054 CV 1
ASSI { 1097}
(( segid "A " and resid 84 and name H ))
(( segid "A " and resid 84 and name HG2 ))
3.800 1.800 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.18842E-02 ppm1 8.933 ppm2 3.150 CV 1
ASSI { 1099}
(( segid "A " and resid 84 and name H ))
(( segid "A " and resid 84 and name HB2 ))
2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 8.931 ppm2 2.370 CV 1
ASSI { 1100}
(( segid "A " and resid 84 and name H ))
(( segid "A " and resid 84 and name HB3 ))
3.800 1.800 1.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.17373E-02 ppm1 8.932 ppm2 2.302 CV 1
ASSI { 1103}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HA ))
2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.34414E-02 ppm1 7.640 ppm2 4.284 CV 1
ASSI { 1104}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 81 and name HA ))
3.500 1.500 1.500 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10889E-02 ppm1 7.644 ppm2 4.224 CV 1
ASSI { 1105}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 84 and name HA ))
3.400 1.500 1.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.87760E-03 ppm1 7.644 ppm2 4.054 CV 1
ASSI { 1106}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 83 and name HA ))
3.700 1.700 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.66271E-03 ppm1 7.639 ppm2 3.865 CV 1
ASSI { 1107}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 82 and name HA ))
3.300 1.300 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.14963E-02 ppm1 7.641 ppm2 3.495 CV 1
ASSI { 1109}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HB2 ))
2.800 1.000 1.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.25505E-02 ppm1 7.641 ppm2 2.584 CV 1
ASSI { 1111}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 84 and name HB2 ))
2.900 1.000 1.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 7.643 ppm2 2.366 CV 1
ASSI { 1112}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HB3 ))
2.200 0.600 0.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.31216E-02 ppm1 7.641 ppm2 2.263 CV 1
ASSI { 1113}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HE3 ))
4.400 2.400 1.600 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 7.643 ppm2 2.194 CV 1
OR { 1113}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HE2 ))
OR { 1113}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 85 and name HE1 ))
ASSI { 1114}
(( segid "A " and resid 85 and name H ))
( segid "C " and resid 1903 and name HB% )
4.300 2.300 1.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.96000E-03 ppm1 7.644 ppm2 1.593 CV 1
ASSI { 1116}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 84 and name H ))
2.700 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.20111E-02 ppm1 7.640 ppm2 8.933 CV 1
ASSI { 1117}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 87 and name H ))
4.000 2.000 2.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.57211E-03 ppm1 7.642 ppm2 8.704 CV 1
ASSI { 1118}
(( segid "A " and resid 85 and name H ))
(( segid "A " and resid 86 and name H ))
2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 7.642 ppm2 8.449 CV 1
ASSI { 1120}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 85 and name HA ))
3.400 1.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 8.447 ppm2 4.284 CV 1
ASSI { 1121}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 86 and name HA ))
2.900 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.22352E-02 ppm1 8.447 ppm2 4.192 CV 1
ASSI { 1122}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 83 and name HA ))
3.100 1.200 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 8.448 ppm2 3.877 CV 1
ASSI { 1123}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 86 and name HB2 ))
2.900 1.100 1.100 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 8.447 ppm2 3.237 CV 1
ASSI { 1124}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 86 and name HB3 ))
2.900 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.13121E-02 ppm1 8.447 ppm2 3.076 CV 1
ASSI { 1125}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 85 and name HB2 ))
3.800 1.800 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 8.445 ppm2 2.587 CV 1
ASSI { 1126}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 85 and name HB3 ))
3.000 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.89194E-03 ppm1 8.447 ppm2 2.262 CV 1
ASSI { 1127}
(( segid "A " and resid 86 and name H ))
(( segid "B " and resid 9 and name HB2 ))
3.700 1.700 1.700 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.78449E-03 ppm1 8.450 ppm2 2.184 CV 1
ASSI { 1128}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 83 and name HB1 ))
4.200 2.300 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.73690E-03 ppm1 8.445 ppm2 1.742 CV 1
OR { 1128}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 83 and name HB2 ))
OR { 1128}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 83 and name HB3 ))
ASSI { 1129}
(( segid "A " and resid 86 and name H ))
(( segid "A " and resid 87 and name H ))
2.800 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 8.447 ppm2 8.699 CV 1
ASSI { 1133}
(( segid "A " and resid 87 and name H ))
( segid "B " and resid 72 and name HE% )
4.700 2.700 1.300 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.67701E-03 ppm1 8.701 ppm2 7.005 CV 1
ASSI { 1134}
(( segid "A " and resid 87 and name H ))
(( segid "B " and resid 72 and name HZ ))
3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.80599E-03 ppm1 8.700 ppm2 6.911 CV 1
ASSI { 1135}
(( segid "A " and resid 87 and name H ))
(( segid "A " and resid 87 and name HA ))
2.800 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 8.698 ppm2 4.242 CV 1
ASSI { 1136}
(( segid "A " and resid 87 and name H ))
(( segid "A " and resid 84 and name HA ))
3.500 1.500 1.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.93136E-03 ppm1 8.698 ppm2 4.057 CV 1
ASSI { 1139}
(( segid "A " and resid 87 and name H ))
(( segid "A " and resid 87 and name HB2 ))
2.700 0.900 0.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 8.697 ppm2 2.394 CV 1
ASSI { 1140}
(( segid "A " and resid 87 and name H ))
(( segid "A " and resid 87 and name HB3 ))
2.700 0.900 0.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 8.697 ppm2 1.766 CV 1
ASSI { 1142}
(( segid "A " and resid 87 and name H ))
(( segid "B " and resid 13 and name HG23))
3.900 1.900 1.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.86123E-03 ppm1 8.700 ppm2 0.858 CV 1
OR { 1142}
(( segid "A " and resid 87 and name H ))
(( segid "B " and resid 13 and name HG21))
OR { 1142}
(( segid "A " and resid 87 and name H ))
(( segid "B " and resid 13 and name HG22))
ASSI { 1143}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 89 and name H ))
2.600 0.900 0.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 7.544 ppm2 7.370 CV 1
ASSI { 1144}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 85 and name HA ))
3.100 1.200 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 7.545 ppm2 4.279 CV 1
ASSI { 1146}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 88 and name HA ))
2.700 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.44678E-02 ppm1 7.545 ppm2 3.938 CV 1
ASSI { 1148}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 88 and name HG3 ))
3.700 1.700 1.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 7.544 ppm2 2.158 CV 1
ASSI { 1150}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 88 and name HB3 ))
2.900 1.000 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.30653E-02 ppm1 7.544 ppm2 1.902 CV 1
ASSI { 1151}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 87 and name HB3 ))
3.100 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.86585E-03 ppm1 7.546 ppm2 1.768 CV 1
ASSI { 1153}
(( segid "A " and resid 88 and name H ))
(( segid "A " and resid 87 and name H ))
2.800 1.000 1.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 7.546 ppm2 8.700 CV 1
ASSI { 1154}
(( segid "A " and resid 89 and name H ))
( segid "A " and resid 89 and name HD% )
3.800 1.800 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 7.370 ppm2 7.134 CV 1
ASSI { 1155}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 89 and name HA ))
2.600 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.41517E-02 ppm1 7.369 ppm2 4.447 CV 1
ASSI { 1157}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 88 and name HA ))
3.200 1.300 1.300 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 7.369 ppm2 3.936 CV 1
ASSI { 1158}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 89 and name HB2 ))
2.600 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.31298E-02 ppm1 7.370 ppm2 3.125 CV 1
ASSI { 1159}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 89 and name HB3 ))
2.700 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.38078E-02 ppm1 7.371 ppm2 2.994 CV 1
ASSI { 1160}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 88 and name HG2 ))
4.300 2.400 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.56394E-03 ppm1 7.371 ppm2 2.420 CV 1
ASSI { 1161}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 88 and name HG3 ))
4.500 2.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.66116E-03 ppm1 7.370 ppm2 2.154 CV 1
ASSI { 1164}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 87 and name H ))
4.100 2.100 1.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.55678E-03 ppm1 7.370 ppm2 8.702 CV 1
ASSI { 1165}
(( segid "A " and resid 89 and name H ))
(( segid "A " and resid 91 and name H ))
4.600 2.700 1.400 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.55523E-03 ppm1 7.373 ppm2 8.025 CV 1
ASSI { 1167}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 89 and name H ))
2.400 0.700 0.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 7.577 ppm2 7.370 CV 1
ASSI { 1169}
(( segid "A " and resid 90 and name H ))
( segid "A " and resid 90 and name HD% )
4.200 2.200 1.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.19635E-02 ppm1 7.579 ppm2 6.915 CV 1
ASSI { 1171}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 89 and name HA ))
2.900 1.100 1.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.24809E-02 ppm1 7.576 ppm2 4.447 CV 1
ASSI { 1172}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 87 and name HA ))
3.500 1.500 1.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.13505E-02 ppm1 7.578 ppm2 4.245 CV 1
ASSI { 1173}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 90 and name HA ))
2.700 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.41107E-02 ppm1 7.576 ppm2 4.163 CV 1
ASSI { 1174}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 88 and name HA ))
3.600 1.600 1.600 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.75530E-03 ppm1 7.573 ppm2 3.935 CV 1
ASSI { 1176}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 89 and name HB2 ))
3.900 1.900 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.13474E-02 ppm1 7.574 ppm2 3.121 CV 1
ASSI { 1177}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 90 and name HB2 ))
2.300 0.700 0.700 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.48094E-02 ppm1 7.576 ppm2 2.971 CV 1
ASSI { 1178}
(( segid "A " and resid 90 and name H ))
(( segid "A " and resid 90 and name HB3 ))
2.900 1.000 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.36532E-02 ppm1 7.576 ppm2 2.814 CV 1
ASSI { 1180}
(( segid "A " and resid 90 and name H ))
(( segid "B " and resid 13 and name HG23))
4.300 2.300 1.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.63507E-03 ppm1 7.578 ppm2 0.853 CV 1
OR { 1180}
(( segid "A " and resid 90 and name H ))
(( segid "B " and resid 13 and name HG22))
OR { 1180}
(( segid "A " and resid 90 and name H ))
(( segid "B " and resid 13 and name HG21))
ASSI { 1184}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 90 and name H ))
2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 8.029 ppm2 7.574 CV 1
ASSI { 1185}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 92 and name H ))
2.400 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.28468E-02 ppm1 8.029 ppm2 7.189 CV 1
ASSI { 1186}
(( segid "A " and resid 91 and name H ))
( segid "A " and resid 90 and name HD% )
3.500 1.500 1.500 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 8.030 ppm2 6.913 CV 1
ASSI { 1187}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 90 and name HA ))
2.700 0.900 0.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.62125E-02 ppm1 8.030 ppm2 4.162 CV 1
ASSI { 1189}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 88 and name HA ))
3.600 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.65399E-03 ppm1 8.028 ppm2 3.937 CV 1
ASSI { 1190}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 90 and name HB2 ))
3.800 1.800 1.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.15116E-02 ppm1 8.030 ppm2 2.972 CV 1
ASSI { 1191}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 90 and name HB3 ))
2.700 0.900 0.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 8.028 ppm2 2.814 CV 1
ASSI { 1193}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 91 and name HB2 ))
2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.35692E-02 ppm1 8.030 ppm2 1.905 CV 1
OR { 1193}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 91 and name HG3 ))
ASSI { 1194}
(( segid "A " and resid 91 and name H ))
(( segid "A " and resid 91 and name HB3 ))
3.300 1.400 1.400 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.31922E-02 ppm1 8.030 ppm2 1.772 CV 1
ASSI { 1196}
(( segid "A " and resid 92 and name H ))
( segid "A " and resid 90 and name HD% )
2.600 2.600 3.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.97382E-03 ppm1 7.184 ppm2 6.913 CV 1
ASSI { 1197}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 89 and name HA ))
3.500 1.500 1.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.69390E-03 ppm1 7.186 ppm2 4.447 CV 1
ASSI { 1198}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 90 and name HA ))
4.100 2.100 1.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 7.188 ppm2 4.163 CV 1
ASSI { 1199}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 91 and name HA ))
3.000 1.100 1.100 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.37546E-02 ppm1 7.188 ppm2 4.008 CV 1
ASSI { 1200}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 92 and name HA2 ))
2.300 0.600 0.600 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.60027E-02 ppm1 7.188 ppm2 3.828 CV 1
ASSI { 1201}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 92 and name HA3 ))
2.700 0.900 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.60333E-02 ppm1 7.188 ppm2 3.678 CV 1
ASSI { 1202}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 91 and name HG2 ))
5.000 3.200 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.55164E-03 ppm1 7.190 ppm2 2.222 CV 1
ASSI { 1203}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 91 and name HB2 ))
3.500 1.500 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.12266E-02 ppm1 7.189 ppm2 1.907 CV 1
OR { 1203}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 91 and name HG3 ))
ASSI { 1208}
(( segid "A " and resid 92 and name H ))
(( segid "A " and resid 90 and name H ))
4.000 2.000 2.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.69955E-03 ppm1 7.184 ppm2 7.572 CV 1
ASSI { 1209}
(( segid "A " and resid 93 and name H ))
( segid "A " and resid 93 and name HD% )
2.800 1.000 1.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.31779E-02 ppm1 8.038 ppm2 7.288 CV 1
ASSI { 1210}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 92 and name H ))
2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.43590E-02 ppm1 8.038 ppm2 7.187 CV 1
ASSI { 1211}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 93 and name HA ))
2.200 0.600 0.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.94518E-02 ppm1 8.038 ppm2 4.789 CV 1
ASSI { 1214}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 91 and name HA ))
4.100 2.200 1.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.96665E-03 ppm1 8.039 ppm2 4.008 CV 1
ASSI { 1215}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 92 and name HA2 ))
2.600 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 8.038 ppm2 3.828 CV 1
ASSI { 1216}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 92 and name HA3 ))
2.700 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.69083E-02 ppm1 8.038 ppm2 3.687 CV 1
ASSI { 1217}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 94 and name HD3 ))
3.600 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 8.040 ppm2 3.566 CV 1
ASSI { 1218}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 93 and name HB2 ))
2.900 1.000 1.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.47822E-02 ppm1 8.038 ppm2 3.160 CV 1
ASSI { 1219}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 93 and name HB3 ))
2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.81519E-02 ppm1 8.038 ppm2 2.943 CV 1
ASSI { 1220}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 91 and name HB2 ))
3.300 1.300 1.300 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 8.038 ppm2 1.899 CV 1
OR { 1220}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 91 and name HG3 ))
ASSI { 1221}
(( segid "A " and resid 93 and name H ))
(( segid "A " and resid 91 and name HB3 ))
4.000 2.000 2.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.70978E-03 ppm1 8.038 ppm2 1.779 CV 1
ASSI { 1224}
(( segid "A " and resid 95 and name H ))
( segid "A " and resid 93 and name HD% )
3.800 1.800 1.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.57876E-03 ppm1 8.310 ppm2 7.289 CV 1
ASSI { 1225}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 93 and name HA ))
3.500 1.500 1.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 8.302 ppm2 4.797 CV 1
ASSI { 1227}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 95 and name HA ))
2.200 0.600 0.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.96307E-02 ppm1 8.306 ppm2 4.630 CV 1
ASSI { 1228}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 94 and name HA ))
1.900 0.400 0.400 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.28565E-01 ppm1 8.310 ppm2 4.447 CV 1
ASSI { 1229}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 94 and name HD2 ))
3.600 1.600 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 8.300 ppm2 3.716 CV 1
ASSI { 1230}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 94 and name HD3 ))
2.300 2.300 3.700 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.22424E-02 ppm1 8.301 ppm2 3.567 CV 1
ASSI { 1233}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 94 and name HB2 ))
3.700 1.700 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.26477E-02 ppm1 8.309 ppm2 2.267 CV 1
ASSI { 1234}
(( segid "A " and resid 95 and name H ))
(( segid "A " and resid 94 and name HB3 ))
3.500 1.600 1.600 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.59820E-02 ppm1 8.304 ppm2 1.975 CV 1
ASSI { 1238}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name HA ))
2.100 0.500 0.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.15664E-01 ppm1 8.161 ppm2 4.628 CV 1
ASSI { 1239}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HA ))
2.400 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.82081E-02 ppm1 8.161 ppm2 4.372 CV 1
ASSI { 1240}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 93 and name HB2 ))
3.900 1.900 1.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.56343E-03 ppm1 8.161 ppm2 3.162 CV 1
ASSI { 1241}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name HB2 ))
4.000 2.000 2.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.21401E-02 ppm1 8.159 ppm2 2.760 CV 1
ASSI { 1242}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name HB3 ))
4.000 2.000 2.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.17788E-02 ppm1 8.162 ppm2 2.676 CV 1
ASSI { 1243}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HB2 ))
3.100 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.33113E-02 ppm1 8.159 ppm2 1.923 CV 1
ASSI { 1244}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HB3 ))
2.400 0.700 0.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.68776E-02 ppm1 8.160 ppm2 1.799 CV 1
ASSI { 1245}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HD3 ))
4.800 2.900 1.200 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.56136E-03 ppm1 8.157 ppm2 1.707 CV 1
OR { 1245}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HD2 ))
ASSI { 1246}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HG2 ))
3.500 1.500 1.500 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.22434E-02 ppm1 8.161 ppm2 1.473 CV 1
OR { 1246}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 96 and name HG3 ))
ASSI { 1249}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name H ))
3.300 1.400 1.400 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.33584E-02 ppm1 8.161 ppm2 8.313 CV 1
ASSI { 1254}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 97 and name HA ))
2.700 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.45026E-02 ppm1 8.247 ppm2 4.650 CV 1
ASSI { 1255}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 96 and name HA ))
2.100 0.600 0.600 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.11662E-01 ppm1 8.246 ppm2 4.371 CV 1
ASSI { 1256}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 98 and name HD3 ))
3.900 1.900 1.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.57980E-03 ppm1 8.253 ppm2 3.709 CV 1
ASSI { 1257}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 97 and name HG2 ))
3.600 1.600 1.600 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.23263E-02 ppm1 8.245 ppm2 2.428 CV 1
OR { 1257}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 97 and name HG3 ))
ASSI { 1258}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 97 and name HB2 ))
3.200 1.300 1.300 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.23560E-02 ppm1 8.247 ppm2 2.139 CV 1
ASSI { 1259}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 97 and name HB3 ))
2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.60333E-02 ppm1 8.246 ppm2 1.989 CV 1
ASSI { 1260}
(( segid "A " and resid 97 and name H ))
(( segid "A " and resid 96 and name HB3 ))
4.200 2.300 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 8.247 ppm2 1.796 CV 1
ASSI { 1265}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 2 and name HA ))
2.700 0.900 0.900 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.33836E-02 ppm1 8.271 ppm2 4.490 CV 1
ASSI { 1266}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 4 and name HG3 ))
3.300 1.400 1.400 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.16800E-02 ppm1 8.270 ppm2 2.191 CV 1
OR { 1266}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 4 and name HB3 ))
ASSI { 1268}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB3 ))
2.300 0.600 0.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.12983E-01 ppm1 8.271 ppm2 1.481 CV 1
OR { 1268}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB2 ))
OR { 1268}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 2 and name HB1 ))
ASSI { 1270}
(( segid "B " and resid 2 and name H ))
(( segid "B " and resid 3 and name H ))
3.900 1.900 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 8.272 ppm2 8.879 CV 1
ASSI { 1272}
(( segid "B " and resid 3 and name H ))
(( segid "B " and resid 3 and name HA ))
2.900 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.13986E-02 ppm1 8.879 ppm2 4.926 CV 1
ASSI { 1274}
(( segid "B " and resid 3 and name H ))
(( segid "B " and resid 2 and name HA ))
2.300 0.600 0.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.60282E-02 ppm1 8.877 ppm2 4.493 CV 1
ASSI { 1275}
(( segid "B " and resid 3 and name H ))
(( segid "B " and resid 3 and name HB2 ))
3.500 1.500 1.500 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.84742E-03 ppm1 8.885 ppm2 3.570 CV 1
ASSI { 1280}
(( segid "B " and resid 3 and name H ))
(( segid "B " and resid 4 and name HD3 ))
3.500 1.500 1.500 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.86382E-03 ppm1 8.879 ppm2 4.034 CV 1
OR { 1280}
(( segid "B " and resid 3 and name H ))
(( segid "B " and resid 4 and name HD2 ))
ASSI { 1281}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 4 and name HA ))
4.000 2.000 2.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.57825E-03 ppm1 7.096 ppm2 4.341 CV 1
ASSI { 1283}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HB3 ))
3.500 1.600 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.57008E-03 ppm1 7.096 ppm2 1.637 CV 1
ASSI { 1284}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD12))
4.500 2.500 1.500 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.60437E-03 ppm1 7.109 ppm2 1.047 CV 1
OR { 1284}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD13))
OR { 1284}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD11))
OR { 1284}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD21))
OR { 1284}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HD22))
ASSI { 1290}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 6 and name HA ))
3.400 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 8.253 ppm2 4.070 CV 1
ASSI { 1291}
(( segid "B " and resid 7 and name H ))
(( segid "A " and resid 41 and name HG2 ))
4.200 2.200 1.800 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.64989E-03 ppm1 8.249 ppm2 2.613 CV 1
ASSI { 1295}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HA ))
2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.27060E-02 ppm1 7.826 ppm2 4.262 CV 1
ASSI { 1298}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HB2 ))
2.600 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.21442E-02 ppm1 7.823 ppm2 2.204 CV 1
ASSI { 1299}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HG ))
3.100 1.200 1.200 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.29158E-02 ppm1 7.825 ppm2 1.928 CV 1
ASSI { 1301}
(( segid "A " and resid 9 and name H ))
(( segid "A " and resid 9 and name HB3 ))
3.500 1.500 1.500 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.16309E-02 ppm1 7.825 ppm2 1.423 CV 1
ASSI { 1305}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 10 and name HA ))
2.700 0.900 0.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.38107E-02 ppm1 7.755 ppm2 4.557 CV 1
ASSI { 1308}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 10 and name HB2 ))
2.400 0.700 0.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.66526E-02 ppm1 7.756 ppm2 3.028 CV 1
OR { 1308}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 10 and name HB3 ))
ASSI { 1310}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HB2 ))
2.800 1.000 1.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.14559E-02 ppm1 7.756 ppm2 2.204 CV 1
ASSI { 1312}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 8 and name HB1 ))
4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.78397E-03 ppm1 7.751 ppm2 1.685 CV 1
OR { 1312}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 8 and name HB3 ))
OR { 1312}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 8 and name HB2 ))
ASSI { 1313}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HB3 ))
3.900 1.900 1.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 7.754 ppm2 1.420 CV 1
ASSI { 1315}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD12))
4.300 2.300 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.91089E-03 ppm1 7.757 ppm2 0.817 CV 1
OR { 1315}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD13))
OR { 1315}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD11))
ASSI { 1316}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD22))
4.100 2.100 1.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.87760E-03 ppm1 7.751 ppm2 0.666 CV 1
OR { 1316}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD23))
OR { 1316}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name HD21))
ASSI { 1317}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 11 and name H ))
2.700 0.900 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.23565E-02 ppm1 7.757 ppm2 8.464 CV 1
ASSI { 1318}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 8 and name H ))
3.800 1.800 1.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.55626E-03 ppm1 7.757 ppm2 8.307 CV 1
ASSI { 1319}
(( segid "A " and resid 10 and name H ))
(( segid "A " and resid 9 and name H ))
2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.28923E-02 ppm1 7.756 ppm2 7.822 CV 1
ASSI { 1322}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 10 and name HA ))
3.300 1.400 1.400 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.12061E-02 ppm1 8.464 ppm2 4.556 CV 1
ASSI { 1331}
(( segid "A " and resid 11 and name H ))
(( segid "A " and resid 12 and name H ))
2.600 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.19231E-02 ppm1 8.463 ppm2 8.796 CV 1
ASSI { 1333}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 9 and name HA ))
3.100 1.200 1.200 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.14313E-02 ppm1 8.794 ppm2 4.262 CV 1
ASSI { 1335}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HA ))
2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.20700E-02 ppm1 8.795 ppm2 4.063 CV 1
ASSI { 1338}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HB2 ))
2.500 0.800 0.800 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 8.797 ppm2 2.576 CV 1
ASSI { 1339}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HG3 ))
2.300 0.700 0.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.33904E-02 ppm1 8.798 ppm2 2.377 CV 1
ASSI { 1340}
(( segid "A " and resid 12 and name H ))
(( segid "A " and resid 12 and name HB3 ))
3.700 1.700 1.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 8.796 ppm2 2.198 CV 1
ASSI { 1347}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 72 and name HZ ))
4.600 2.700 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.62584E-03 ppm1 8.430 ppm2 6.922 CV 1
ASSI { 1348}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 10 and name HA ))
3.500 1.600 1.600 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 8.432 ppm2 4.555 CV 1
ASSI { 1350}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 13 and name HA ))
2.700 0.900 0.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 8.432 ppm2 4.069 CV 1
ASSI { 1352}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 13 and name HB ))
3.100 1.200 1.200 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.37923E-02 ppm1 8.433 ppm2 2.388 CV 1
ASSI { 1356}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 14 and name H ))
2.600 0.800 0.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 8.434 ppm2 8.885 CV 1
ASSI { 1357}
(( segid "A " and resid 13 and name H ))
(( segid "A " and resid 12 and name H ))
2.700 0.900 0.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.15792E-02 ppm1 8.432 ppm2 8.798 CV 1
ASSI { 1358}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 15 and name H ))
2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.16258E-02 ppm1 8.887 ppm2 8.630 CV 1
ASSI { 1360}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 10 and name HA ))
3.600 1.700 1.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.99377E-03 ppm1 8.889 ppm2 4.554 CV 1
ASSI { 1361}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 14 and name HA ))
2.400 0.700 0.700 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.58696E-02 ppm1 8.886 ppm2 4.111 CV 1
ASSI { 1362}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 11 and name HA ))
3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 8.884 ppm2 3.942 CV 1
ASSI { 1363}
(( segid "A " and resid 14 and name H ))
(( segid "A " and resid 13 and name HB ))
3.300 1.300 1.300 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.30724E-02 ppm1 8.885 ppm2 2.386 CV 1
ASSI { 1367}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 16 and name H ))
2.900 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 8.624 ppm2 7.059 CV 1
ASSI { 1369}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 15 and name HA ))
2.700 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.22726E-02 ppm1 8.629 ppm2 4.435 CV 1
ASSI { 1370}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 14 and name HB3 ))
2.900 1.100 1.100 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.19865E-02 ppm1 8.628 ppm2 4.112 CV 1
OR { 1370}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 14 and name HB2 ))
ASSI { 1371}
(( segid "A " and resid 15 and name H ))
(( segid "A " and resid 15 and name HB ))
2.700 0.900 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.20326E-02 ppm1 8.629 ppm2 4.013 CV 1
ASSI { 1380}
(( segid "A " and resid 16 and name H ))
( segid "A " and resid 16 and name HD% )
4.800 2.900 1.200 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.71233E-03 ppm1 7.063 ppm2 5.633 CV 1
ASSI { 1381}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 15 and name HA ))
3.300 1.300 1.300 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 7.062 ppm2 4.434 CV 1
ASSI { 1382}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 13 and name HA ))
3.800 1.800 1.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.83821E-03 ppm1 7.060 ppm2 4.071 CV 1
ASSI { 1383}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 15 and name HB ))
3.100 1.200 1.200 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.93646E-03 ppm1 7.063 ppm2 4.019 CV 1
ASSI { 1384}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 16 and name HA ))
2.900 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.22485E-02 ppm1 7.061 ppm2 3.579 CV 1
ASSI { 1385}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.15582E-02 ppm1 7.064 ppm2 3.043 CV 1
ASSI { 1386}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 16 and name HB3 ))
3.200 1.200 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.15812E-02 ppm1 7.062 ppm2 2.609 CV 1
ASSI { 1391}
(( segid "A " and resid 16 and name H ))
(( segid "A " and resid 17 and name H ))
3.100 1.200 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.22966E-02 ppm1 7.060 ppm2 7.005 CV 1
ASSI { 1392}
(( segid "A " and resid 17 and name H ))
( segid "A " and resid 16 and name HD% )
4.000 2.000 2.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.79831E-03 ppm1 7.003 ppm2 5.622 CV 1
ASSI { 1394}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 14 and name HA ))
3.400 1.400 1.400 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.78091E-03 ppm1 7.006 ppm2 4.102 CV 1
ASSI { 1398}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 17 and name HB3 ))
3.500 1.600 1.600 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 7.005 ppm2 2.971 CV 1
ASSI { 1399}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 16 and name HB3 ))
2.900 1.000 1.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.58696E-03 ppm1 7.010 ppm2 2.613 CV 1
ASSI { 1401}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 17 and name HD2 ))
3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 7.004 ppm2 7.422 CV 1
ASSI { 1402}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 17 and name H ))
2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.18806E-02 ppm1 7.775 ppm2 7.007 CV 1
ASSI { 1403}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 19 and name H ))
2.700 0.900 0.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.24174E-02 ppm1 7.779 ppm2 6.860 CV 1
ASSI { 1405}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 19 and name HA ))
4.800 2.800 1.200 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.59872E-03 ppm1 7.774 ppm2 4.360 CV 1
ASSI { 1406}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HA ))
2.600 0.800 0.800 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.50082E-02 ppm1 7.777 ppm2 3.997 CV 1
ASSI { 1409}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HG2 ))
4.400 2.500 1.600 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 7.775 ppm2 1.441 CV 1
ASSI { 1410}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HG3 ))
4.700 2.800 1.300 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.80289E-03 ppm1 7.775 ppm2 0.827 CV 1
ASSI { 1411}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 20 and name H ))
4.400 2.400 1.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.56649E-03 ppm1 7.775 ppm2 8.329 CV 1
ASSI { 1412}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 19 and name HA ))
3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.16069E-02 ppm1 6.862 ppm2 4.359 CV 1
ASSI { 1414}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 20 and name HA ))
4.800 2.900 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 6.866 ppm2 3.552 CV 1
ASSI { 1415}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 19 and name HB2 ))
2.800 1.000 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 6.862 ppm2 2.942 CV 1
ASSI { 1416}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 19 and name HB3 ))
4.200 2.200 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.98560E-03 ppm1 6.864 ppm2 2.337 CV 1
ASSI { 1417}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 18 and name HB2 ))
4.200 2.200 1.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.84025E-03 ppm1 6.863 ppm2 1.908 CV 1
ASSI { 1419}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 20 and name H ))
2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 6.860 ppm2 8.327 CV 1
ASSI { 1421}
(( segid "A " and resid 19 and name H ))
( segid "A " and resid 19 and name HD% )
2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 6.860 ppm2 7.397 CV 1
ASSI { 1423}
(( segid "A " and resid 20 and name H ))
( segid "A " and resid 19 and name HD% )
4.300 2.400 1.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.82850E-03 ppm1 8.333 ppm2 7.401 CV 1
ASSI { 1426}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 19 and name HA ))
3.600 1.600 1.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 8.333 ppm2 4.364 CV 1
ASSI { 1427}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HA ))
2.900 1.000 1.000 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 8.328 ppm2 3.544 CV 1
ASSI { 1428}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HB2 ))
3.900 1.900 1.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.79983E-03 ppm1 8.331 ppm2 3.078 CV 1
ASSI { 1430}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 20 and name HB3 ))
2.800 0.900 0.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 8.329 ppm2 2.180 CV 1
ASSI { 1431}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 29 and name HD21))
3.400 1.400 1.400 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 8.331 ppm2 0.288 CV 1
OR { 1431}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 29 and name HD22))
OR { 1431}
(( segid "A " and resid 20 and name H ))
(( segid "A " and resid 29 and name HD23))
ASSI { 1432}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 22 and name H ))
2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.29901E-02 ppm1 7.778 ppm2 7.230 CV 1
ASSI { 1433}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 19 and name H ))
3.700 1.700 1.700 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.71285E-03 ppm1 7.775 ppm2 6.864 CV 1
ASSI { 1434}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 17 and name HA ))
3.500 1.500 1.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.87915E-03 ppm1 7.778 ppm2 4.802 CV 1
ASSI { 1435}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 26 and name HA ))
3.100 1.200 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 7.777 ppm2 4.416 CV 1
ASSI { 1436}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 21 and name HA2 ))
3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.31927E-02 ppm1 7.778 ppm2 4.144 CV 1
ASSI { 1438}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 21 and name HA3 ))
2.400 0.700 0.700 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.45662E-02 ppm1 7.780 ppm2 3.864 CV 1
ASSI { 1439}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HA ))
3.300 1.400 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.11207E-02 ppm1 7.790 ppm2 3.554 CV 1
ASSI { 1440}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name HB3 ))
4.100 2.100 1.900 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.70006E-03 ppm1 7.780 ppm2 2.164 CV 1
ASSI { 1441}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 29 and name HD21))
4.700 2.800 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.67036E-03 ppm1 7.782 ppm2 0.291 CV 1
OR { 1441}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 29 and name HD22))
OR { 1441}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 29 and name HD23))
ASSI { 1443}
(( segid "A " and resid 21 and name H ))
(( segid "A " and resid 20 and name H ))
2.700 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 7.780 ppm2 8.329 CV 1
ASSI { 1444}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 19 and name HA ))
3.900 1.900 1.900 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.66319E-03 ppm1 7.233 ppm2 4.354 CV 1
ASSI { 1445}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 21 and name HA3 ))
3.500 1.500 1.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 7.229 ppm2 3.867 CV 1
ASSI { 1446}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 20 and name HA ))
3.300 1.400 1.400 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.72153E-03 ppm1 7.229 ppm2 3.539 CV 1
ASSI { 1447}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 33 and name HG2 ))
4.400 2.500 1.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.56239E-03 ppm1 7.232 ppm2 2.521 CV 1
ASSI { 1455}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 25 and name HB2 ))
3.700 1.700 1.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.76454E-03 ppm1 7.208 ppm2 2.881 CV 1
ASSI { 1457}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 33 and name H ))
3.900 1.900 1.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.60385E-03 ppm1 9.584 ppm2 8.691 CV 1
ASSI { 1459}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 30 and name HA ))
2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.84793E-03 ppm1 9.585 ppm2 4.791 CV 1
ASSI { 1460}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 33 and name HA ))
5.100 3.300 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.62584E-03 ppm1 9.586 ppm2 4.065 CV 1
ASSI { 1461}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 30 and name HB3 ))
3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.55419E-03 ppm1 9.584 ppm2 3.055 CV 1
ASSI { 1462}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 33 and name HB2 ))
2.600 0.800 0.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 9.591 ppm2 2.238 CV 1
ASSI { 1464}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 29 and name HB3 ))
3.900 1.900 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.58593E-03 ppm1 9.582 ppm2 1.255 CV 1
ASSI { 1465}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 29 and name HD23))
4.600 2.600 1.400 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.13325E-02 ppm1 9.588 ppm2 0.272 CV 1
OR { 1465}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 29 and name HD21))
OR { 1465}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 29 and name HD22))
ASSI { 1466}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 32 and name H ))
2.800 1.000 1.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.17118E-02 ppm1 8.344 ppm2 7.718 CV 1
ASSI { 1467}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 30 and name HA ))
2.400 0.700 0.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.29870E-02 ppm1 8.344 ppm2 4.795 CV 1
ASSI { 1470}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 30 and name HB2 ))
2.400 0.700 0.700 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.20920E-02 ppm1 8.344 ppm2 3.468 CV 1
ASSI { 1471}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HE3 ))
3.800 1.800 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.17353E-02 ppm1 8.344 ppm2 3.058 CV 1
OR { 1471}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HE2 ))
ASSI { 1473}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HB2 ))
2.600 0.900 0.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.34159E-02 ppm1 8.345 ppm2 1.908 CV 1
OR { 1473}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HB3 ))
ASSI { 1474}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HD2 ))
4.800 2.900 1.200 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.64582E-03 ppm1 8.350 ppm2 1.772 CV 1
OR { 1474}
(( segid "B " and resid 31 and name H ))
(( segid "B " and resid 31 and name HD3 ))
ASSI { 1478}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 36 and name H ))
3.900 1.900 1.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.64017E-03 ppm1 8.917 ppm2 7.845 CV 1
ASSI { 1479}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 34 and name HA ))
2.600 0.900 0.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.22506E-02 ppm1 8.919 ppm2 3.984 CV 1
ASSI { 1480}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 34 and name HB2 ))
2.300 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 8.918 ppm2 2.116 CV 1
ASSI { 1482}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 34 and name HG ))
3.300 1.400 1.400 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.71643E-03 ppm1 8.917 ppm2 1.636 CV 1
ASSI { 1483}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 34 and name HB3 ))
3.600 1.600 1.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 8.919 ppm2 1.427 CV 1
ASSI { 1484}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 29 and name HB3 ))
2.900 1.100 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.84128E-03 ppm1 8.922 ppm2 1.256 CV 1
ASSI { 1487}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 30 and name H ))
4.200 2.200 1.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.64479E-03 ppm1 8.916 ppm2 9.596 CV 1
ASSI { 1488}
(( segid "B " and resid 34 and name H ))
(( segid "B " and resid 33 and name H ))
2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.18187E-02 ppm1 8.920 ppm2 8.692 CV 1
ASSI { 1489}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 37 and name H ))
3.600 1.600 1.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.80648E-03 ppm1 8.028 ppm2 7.962 CV 1
ASSI { 1491}
(( segid "B " and resid 35 and name H ))
( segid "B " and resid 55 and name HE% )
4.000 2.000 2.000 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.63965E-03 ppm1 8.027 ppm2 7.240 CV 1
ASSI { 1492}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 32 and name HA ))
3.200 1.300 1.300 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.029 ppm2 4.141 CV 1
ASSI { 1494}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 34 and name HA ))
3.200 1.300 1.300 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.10782E-02 ppm1 8.025 ppm2 3.987 CV 1
ASSI { 1495}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HA ))
2.700 0.900 0.900 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.25213E-02 ppm1 8.028 ppm2 3.542 CV 1
ASSI { 1496}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.88939E-03 ppm1 8.029 ppm2 2.111 CV 1
ASSI { 1497}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 8.026 ppm2 1.717 CV 1
ASSI { 1498}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 34 and name HG ))
4.400 2.400 1.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.75737E-03 ppm1 8.025 ppm2 1.646 CV 1
ASSI { 1499}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 34 and name HB3 ))
3.600 1.600 1.600 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.77529E-03 ppm1 8.029 ppm2 1.433 CV 1
ASSI { 1500}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HD2 ))
5.200 3.400 0.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.89759E-03 ppm1 8.027 ppm2 1.332 CV 1
ASSI { 1501}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HB3 ))
2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 8.028 ppm2 1.265 CV 1
ASSI { 1504}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HG3 ))
4.800 2.800 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.62994E-03 ppm1 8.031 ppm2 0.782 CV 1
OR { 1504}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HG2 ))
ASSI { 1506}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 34 and name H ))
2.700 0.900 0.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.20014E-02 ppm1 8.027 ppm2 8.919 CV 1
ASSI { 1507}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 32 and name HA ))
3.700 1.700 1.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 7.855 ppm2 4.147 CV 1
ASSI { 1509}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 36 and name HA ))
2.600 0.900 0.900 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.28304E-02 ppm1 7.852 ppm2 3.829 CV 1
ASSI { 1510}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name HA ))
3.300 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 7.853 ppm2 3.539 CV 1
ASSI { 1512}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name HB2 ))
3.700 1.700 1.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 7.851 ppm2 1.717 CV 1
ASSI { 1513}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name HG2 ))
4.000 2.000 2.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.71130E-03 ppm1 7.849 ppm2 0.779 CV 1
OR { 1513}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name HG3 ))
ASSI { 1515}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name H ))
2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 7.851 ppm2 8.028 CV 1
ASSI { 1516}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 33 and name HA ))
3.100 1.200 1.200 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 7.849 ppm2 4.063 CV 1
ASSI { 1519}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 35 and name HB3 ))
2.700 0.900 0.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.11565E-02 ppm1 7.850 ppm2 1.257 CV 1
ASSI { 1523}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 35 and name HA ))
3.400 1.400 1.400 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.61560E-03 ppm1 8.516 ppm2 3.542 CV 1
ASSI { 1524}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 37 and name HA ))
3.700 1.700 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.77426E-03 ppm1 8.514 ppm2 2.592 CV 1
ASSI { 1526}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HB3 ))
3.400 1.500 1.500 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.17271E-02 ppm1 8.517 ppm2 2.010 CV 1
ASSI { 1527}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HB2 ))
2.400 0.700 0.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.17245E-02 ppm1 8.517 ppm2 1.711 CV 1
ASSI { 1528}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 39 and name HG23))
4.200 2.200 1.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.72563E-03 ppm1 8.516 ppm2 1.339 CV 1
OR { 1528}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 39 and name HG21))
OR { 1528}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 39 and name HG22))
ASSI { 1529}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 37 and name HB3 ))
2.900 1.000 1.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.66371E-03 ppm1 8.514 ppm2 1.178 CV 1
ASSI { 1530}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HD12))
3.100 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.26825E-02 ppm1 8.518 ppm2 1.039 CV 1
OR { 1530}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HD11))
OR { 1530}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HD13))
OR { 1530}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HD23))
OR { 1530}
(( segid "B " and resid 38 and name H ))
(( segid "B " and resid 38 and name HD22))
ASSI { 1534}
(( segid "B " and resid 39 and name H ))
(( segid "B " and resid 39 and name HA ))
3.000 1.100 1.100 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 7.962 ppm2 3.976 CV 1
ASSI { 1538}
(( segid "B " and resid 39 and name H ))
(( segid "B " and resid 38 and name HB2 ))
3.300 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.91854E-03 ppm1 7.962 ppm2 1.726 CV 1
ASSI { 1543}
(( segid "B " and resid 39 and name H ))
(( segid "B " and resid 40 and name H ))
3.000 1.100 1.100 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 7.960 ppm2 8.216 CV 1
ASSI { 1546}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 39 and name HB ))
3.400 1.500 1.500 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.14523E-02 ppm1 8.215 ppm2 4.229 CV 1
ASSI { 1547}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 39 and name HA ))
3.500 1.500 1.500 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.97075E-03 ppm1 8.222 ppm2 3.976 CV 1
ASSI { 1551}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 41 and name HB2 ))
4.700 2.700 1.300 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.55471E-03 ppm1 8.225 ppm2 2.446 CV 1
ASSI { 1552}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 40 and name HB2 ))
2.600 0.800 0.800 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.17292E-02 ppm1 8.219 ppm2 2.200 CV 1
ASSI { 1553}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 40 and name HG2 ))
2.700 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.30525E-02 ppm1 8.219 ppm2 1.992 CV 1
OR { 1553}
(( segid "B " and resid 40 and name H ))
(( segid "B " and resid 40 and name HB3 ))
ASSI { 1557}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 40 and name H ))
2.800 1.000 1.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.16836E-02 ppm1 8.516 ppm2 8.217 CV 1
ASSI { 1558}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 42 and name H ))
2.500 0.800 0.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.21334E-02 ppm1 8.515 ppm2 7.600 CV 1
ASSI { 1559}
(( segid "B " and resid 41 and name H ))
( segid "B " and resid 19 and name HE% )
2.800 2.800 3.200 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.58951E-03 ppm1 8.508 ppm2 6.858 CV 1
ASSI { 1563}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HG2 ))
4.600 2.600 1.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.72053E-03 ppm1 8.511 ppm2 2.598 CV 1
ASSI { 1564}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.86072E-03 ppm1 8.516 ppm2 2.423 CV 1
ASSI { 1565}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 41 and name HB3 ))
3.700 1.700 1.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.11821E-02 ppm1 8.515 ppm2 2.193 CV 1
ASSI { 1566}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 40 and name HB3 ))
3.600 1.600 1.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 8.518 ppm2 1.992 CV 1
OR { 1566}
(( segid "B " and resid 41 and name H ))
(( segid "B " and resid 40 and name HG2 ))
ASSI { 1567}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HA ))
3.100 1.200 1.200 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.98970E-03 ppm1 7.600 ppm2 5.509 CV 1
ASSI { 1569}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 81 and name HA ))
2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.25474E-02 ppm1 7.614 ppm2 4.371 CV 1
ASSI { 1570}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 38 and name HA ))
2.800 1.000 1.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 7.603 ppm2 3.866 CV 1
ASSI { 1574}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 43 and name HD3 ))
2.700 0.900 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 7.606 ppm2 3.227 CV 1
ASSI { 1575}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 81 and name HB2 ))
3.000 1.100 1.100 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 7.615 ppm2 3.157 CV 1
ASSI { 1577}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 41 and name HB2 ))
3.900 1.900 1.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.67601E-03 ppm1 7.597 ppm2 2.437 CV 1
ASSI { 1580}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HB2 ))
2.800 1.000 1.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 7.598 ppm2 2.065 CV 1
ASSI { 1582}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HB3 ))
3.800 1.800 1.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.85358E-03 ppm1 7.598 ppm2 1.926 CV 1
ASSI { 1583}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HG ))
3.700 1.700 1.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.81878E-03 ppm1 7.604 ppm2 1.542 CV 1
ASSI { 1584}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 37 and name HB3 ))
4.000 2.000 2.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.10782E-02 ppm1 7.612 ppm2 1.172 CV 1
ASSI { 1586}
(( segid "B " and resid 81 and name H ))
( segid "C " and resid 1914 and name HG2%)
3.400 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.66677E-03 ppm1 7.616 ppm2 0.983 CV 1
ASSI { 1588}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HD23))
4.700 2.700 1.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.81161E-03 ppm1 7.600 ppm2 0.683 CV 1
OR { 1588}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HD21))
OR { 1588}
(( segid "B " and resid 42 and name H ))
(( segid "B " and resid 42 and name HD22))
ASSI { 1591}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 80 and name H ))
2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.19415E-02 ppm1 7.613 ppm2 8.238 CV 1
ASSI { 1592}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 82 and name H ))
2.800 1.000 1.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 7.614 ppm2 7.935 CV 1
ASSI { 1593}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 45 and name H ))
2.900 1.000 1.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.17992E-02 ppm1 9.963 ppm2 8.050 CV 1
ASSI { 1595}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HA ))
3.800 1.800 1.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.64120E-03 ppm1 9.965 ppm2 4.382 CV 1
ASSI { 1596}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HA ))
2.900 1.100 1.100 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.22332E-02 ppm1 9.962 ppm2 4.289 CV 1
ASSI { 1597}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HB3 ))
3.200 1.300 1.300 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.15168E-02 ppm1 9.965 ppm2 3.674 CV 1
OR { 1597}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 44 and name HB2 ))
ASSI { 1598}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HD3 ))
4.700 2.800 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.69134E-03 ppm1 9.965 ppm2 3.222 CV 1
ASSI { 1599}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HG2 ))
3.800 1.800 1.800 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.68418E-03 ppm1 9.961 ppm2 2.143 CV 1
ASSI { 1600}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HG3 ))
4.400 2.400 1.600 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 9.963 ppm2 2.066 CV 1
ASSI { 1602}
(( segid "B " and resid 45 and name H ))
( segid "B " and resid 45 and name HE% )
4.000 2.000 2.000 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.58390E-03 ppm1 8.046 ppm2 7.144 CV 1
ASSI { 1604}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 43 and name HA ))
4.000 2.000 2.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.63607E-03 ppm1 8.049 ppm2 4.384 CV 1
ASSI { 1605}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HA ))
3.600 1.600 1.600 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 8.047 ppm2 4.287 CV 1
ASSI { 1606}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HB2 ))
3.700 1.700 1.700 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.65809E-03 ppm1 8.050 ppm2 3.676 CV 1
OR { 1606}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 44 and name HB3 ))
ASSI { 1607}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HB2 ))
2.900 1.000 1.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.13070E-02 ppm1 8.048 ppm2 3.411 CV 1
ASSI { 1608}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 45 and name HB3 ))
3.500 1.500 1.500 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.15511E-02 ppm1 8.046 ppm2 3.109 CV 1
ASSI { 1609}
(( segid "B " and resid 45 and name H ))
(( segid "B " and resid 42 and name HB2 ))
4.400 2.400 1.600 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.68673E-03 ppm1 8.047 ppm2 2.060 CV 1
ASSI { 1613}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HA ))
2.600 0.800 0.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 7.323 ppm2 4.741 CV 1
ASSI { 1618}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HG ))
2.500 0.800 0.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.30770E-02 ppm1 7.323 ppm2 1.988 CV 1
ASSI { 1619}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HB2 ))
2.400 0.700 0.700 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.32658E-02 ppm1 7.324 ppm2 1.835 CV 1
ASSI { 1620}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HB3 ))
3.400 1.400 1.400 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.25003E-02 ppm1 7.323 ppm2 1.715 CV 1
ASSI { 1621}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD13))
4.100 2.100 1.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.16109E-02 ppm1 7.322 ppm2 1.063 CV 1
OR { 1621}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD12))
OR { 1621}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD11))
ASSI { 1622}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD22))
2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17650E-02 ppm1 7.324 ppm2 0.958 CV 1
OR { 1622}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD23))
OR { 1622}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 46 and name HD21))
ASSI { 1623}
(( segid "B " and resid 46 and name H ))
( segid "C " and resid 1929 and name HG2%)
5.300 3.500 0.700 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.56904E-03 ppm1 7.319 ppm2 0.772 CV 1
ASSI { 1625}
(( segid "B " and resid 46 and name H ))
(( segid "B " and resid 45 and name H ))
2.500 0.800 0.800 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.36322E-02 ppm1 7.323 ppm2 8.049 CV 1
ASSI { 1626}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name H ))
2.600 0.800 0.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.14610E-02 ppm1 8.254 ppm2 7.316 CV 1
ASSI { 1628}
(( segid "B " and resid 47 and name H ))
(( segid "C " and resid 1928 and name HA ))
3.800 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.11724E-02 ppm1 8.257 ppm2 5.312 CV 1
ASSI { 1629}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HA ))
2.300 2.300 3.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.61867E-02 ppm1 8.254 ppm2 4.740 CV 1
ASSI { 1630}
(( segid "B " and resid 47 and name H ))
(( segid "C " and resid 1929 and name HA ))
2.700 2.700 3.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.71388E-03 ppm1 8.257 ppm2 4.414 CV 1
ASSI { 1633}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HG ))
4.400 2.400 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.89401E-03 ppm1 8.255 ppm2 1.984 CV 1
ASSI { 1634}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HB2 ))
3.300 1.300 1.300 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 8.253 ppm2 1.837 CV 1
ASSI { 1635}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HB3 ))
3.900 1.900 1.900 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 8.252 ppm2 1.714 CV 1
ASSI { 1636}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD13))
4.500 2.500 1.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 8.256 ppm2 1.050 CV 1
OR { 1636}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD12))
OR { 1636}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD11))
ASSI { 1637}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD22))
3.800 1.800 1.800 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.19389E-02 ppm1 8.255 ppm2 0.957 CV 1
OR { 1637}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD21))
OR { 1637}
(( segid "B " and resid 47 and name H ))
(( segid "B " and resid 46 and name HD23))
ASSI { 1638}
(( segid "B " and resid 47 and name H ))
( segid "C " and resid 1929 and name HG1%)
2.600 2.600 3.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.10889E-02 ppm1 8.253 ppm2 0.876 CV 1
ASSI { 1639}
(( segid "B " and resid 47 and name H ))
( segid "C " and resid 1929 and name HG2%)
4.000 2.000 2.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 8.254 ppm2 0.780 CV 1
ASSI { 1641}
(( segid "B " and resid 47 and name H ))
(( segid "C " and resid 1929 and name H ))
3.300 1.400 1.400 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.87760E-03 ppm1 8.253 ppm2 8.583 CV 1
ASSI { 1642}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 8.290 ppm2 1.930 CV 1
ASSI { 1645}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 49 and name HA ))
2.400 0.700 0.700 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.41568E-02 ppm1 8.219 ppm2 4.516 CV 1
ASSI { 1646}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 48 and name HA ))
2.900 1.000 1.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.51890E-02 ppm1 8.219 ppm2 4.287 CV 1
ASSI { 1647}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 47 and name HA2 ))
2.800 2.800 3.200 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.63149E-03 ppm1 8.217 ppm2 4.150 CV 1
ASSI { 1648}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 47 and name HA3 ))
2.800 2.800 3.200 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.70261E-03 ppm1 8.216 ppm2 3.743 CV 1
ASSI { 1650}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 49 and name HB2 ))
3.000 1.100 1.100 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 8.218 ppm2 1.884 CV 1
ASSI { 1652}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 49 and name HG3 ))
4.000 2.000 2.000 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 8.218 ppm2 1.651 CV 1
ASSI { 1654}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 48 and name HG3 ))
4.100 2.200 1.900 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 8.215 ppm2 1.517 CV 1
OR { 1654}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 48 and name HG2 ))
ASSI { 1655}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 50 and name HG21))
4.000 2.000 2.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.70875E-03 ppm1 8.216 ppm2 1.025 CV 1
OR { 1655}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 50 and name HG23))
OR { 1655}
(( segid "B " and resid 49 and name H ))
(( segid "B " and resid 50 and name HG22))
ASSI { 1659}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HA ))
2.000 0.500 0.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.95641E-02 ppm1 7.996 ppm2 4.515 CV 1
ASSI { 1660}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HB ))
2.900 1.100 1.100 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.24103E-02 ppm1 7.997 ppm2 4.350 CV 1
ASSI { 1661}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HA ))
2.300 0.700 0.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.34049E-02 ppm1 7.996 ppm2 4.226 CV 1
ASSI { 1662}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HB2 ))
4.400 2.400 1.600 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.99377E-03 ppm1 7.995 ppm2 1.881 CV 1
ASSI { 1663}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HB3 ))
4.000 2.000 2.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.83260E-03 ppm1 7.998 ppm2 1.751 CV 1
ASSI { 1664}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name HG2 ))
4.900 3.000 1.100 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.65347E-03 ppm1 7.996 ppm2 1.583 CV 1
ASSI { 1666}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HG23))
2.800 1.000 1.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.28713E-02 ppm1 7.996 ppm2 1.025 CV 1
OR { 1666}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HG21))
OR { 1666}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 50 and name HG22))
ASSI { 1668}
(( segid "B " and resid 50 and name H ))
(( segid "B " and resid 49 and name H ))
3.800 1.800 1.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.12097E-02 ppm1 7.995 ppm2 8.227 CV 1
ASSI { 1669}
(( segid "B " and resid 51 and name H ))
( segid "B " and resid 55 and name HE% )
4.800 2.900 1.200 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.67343E-03 ppm1 7.966 ppm2 7.258 CV 1
ASSI { 1670}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 51 and name HA ))
2.500 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.50589E-02 ppm1 7.967 ppm2 4.781 CV 1
ASSI { 1671}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 49 and name HA ))
2.500 2.500 3.500 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 7.965 ppm2 4.517 CV 1
ASSI { 1672}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HB ))
3.300 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.15378E-02 ppm1 7.965 ppm2 4.351 CV 1
ASSI { 1673}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HA ))
1.900 0.400 0.400 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10271E-01 ppm1 7.967 ppm2 4.226 CV 1
ASSI { 1675}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 51 and name HB2 ))
2.500 0.800 0.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.26421E-02 ppm1 7.966 ppm2 3.049 CV 1
ASSI { 1677}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 54 and name HB2 ))
2.300 0.700 0.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.53066E-02 ppm1 7.967 ppm2 1.322 CV 1
OR { 1677}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 54 and name HB1 ))
OR { 1677}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 1678}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HG21))
3.800 1.800 1.800 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.25500E-02 ppm1 7.965 ppm2 1.027 CV 1
OR { 1678}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HG22))
OR { 1678}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 50 and name HG23))
ASSI { 1680}
(( segid "B " and resid 51 and name H ))
(( segid "B " and resid 52 and name H ))
4.300 2.300 1.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 7.967 ppm2 8.632 CV 1
ASSI { 1684}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HA ))
2.400 0.700 0.700 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.69955E-02 ppm1 8.633 ppm2 4.781 CV 1
ASSI { 1685}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 52 and name HA ))
2.700 0.900 0.900 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.35247E-02 ppm1 8.633 ppm2 4.276 CV 1
ASSI { 1686}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HB2 ))
3.400 1.500 1.500 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.32399E-02 ppm1 8.634 ppm2 3.050 CV 1
ASSI { 1687}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 51 and name HB3 ))
2.400 0.700 0.700 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.26810E-02 ppm1 8.634 ppm2 2.857 CV 1
ASSI { 1689}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 52 and name HB2 ))
2.600 0.800 0.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.42075E-02 ppm1 8.633 ppm2 2.161 CV 1
OR { 1689}
(( segid "B " and resid 52 and name H ))
(( segid "B " and resid 52 and name HB3 ))
ASSI { 1693}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 51 and name HA ))
4.400 2.400 1.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 8.343 ppm2 4.782 CV 1
ASSI { 1695}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 54 and name HA ))
4.800 2.900 1.200 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.56701E-03 ppm1 8.349 ppm2 4.120 CV 1
ASSI { 1696}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 51 and name HB2 ))
3.700 1.700 1.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 8.345 ppm2 3.051 CV 1
ASSI { 1697}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 51 and name HB3 ))
3.500 1.600 1.600 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 8.348 ppm2 2.845 CV 1
ASSI { 1699}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 52 and name HB3 ))
2.700 0.900 0.900 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.31026E-02 ppm1 8.345 ppm2 2.144 CV 1
ASSI { 1700}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HB2 ))
2.200 0.600 0.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.14431E-01 ppm1 8.346 ppm2 1.528 CV 1
OR { 1700}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HB1 ))
OR { 1700}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 53 and name HB3 ))
ASSI { 1701}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 54 and name HB1 ))
4.100 2.100 1.900 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 8.345 ppm2 1.321 CV 1
OR { 1701}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 54 and name HB2 ))
OR { 1701}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 1703}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 52 and name H ))
2.700 0.900 0.900 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.26451E-02 ppm1 8.345 ppm2 8.634 CV 1
ASSI { 1704}
(( segid "B " and resid 53 and name H ))
(( segid "B " and resid 52 and name HA ))
3.000 1.100 1.100 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.36716E-02 ppm1 8.347 ppm2 4.268 CV 1
ASSI { 1705}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 51 and name HA ))
4.500 2.500 1.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.62022E-03 ppm1 8.000 ppm2 4.782 CV 1
ASSI { 1708}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 55 and name HB2 ))
4.600 2.700 1.400 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.90731E-03 ppm1 7.999 ppm2 3.072 CV 1
OR { 1708}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 55 and name HB3 ))
ASSI { 1709}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 51 and name HB3 ))
4.100 2.100 1.900 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 8.001 ppm2 2.857 CV 1
ASSI { 1711}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HB1 ))
2.200 0.600 0.600 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.10352E-01 ppm1 8.000 ppm2 1.322 CV 1
OR { 1711}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HB2 ))
OR { 1711}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 1712}
(( segid "B " and resid 54 and name H ))
(( segid "B " and resid 53 and name H ))
2.400 0.700 0.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.53782E-02 ppm1 8.000 ppm2 8.349 CV 1
ASSI { 1717}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 56 and name HB3 ))
4.700 2.700 1.300 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.81775E-03 ppm1 7.985 ppm2 2.276 CV 1
OR { 1717}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 56 and name HB2 ))
ASSI { 1718}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 53 and name HB3 ))
4.500 2.500 1.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.86123E-03 ppm1 7.989 ppm2 1.527 CV 1
OR { 1718}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 53 and name HB2 ))
OR { 1718}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 53 and name HB1 ))
ASSI { 1720}
(( segid "B " and resid 55 and name H ))
(( segid "B " and resid 56 and name H ))
2.400 0.700 0.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.33933E-02 ppm1 7.983 ppm2 8.369 CV 1
ASSI { 1722}
(( segid "B " and resid 56 and name H ))
( segid "B " and resid 55 and name HD% )
4.200 2.200 1.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.85307E-03 ppm1 8.372 ppm2 7.169 CV 1
ASSI { 1723}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 53 and name HA ))
3.200 1.300 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.370 ppm2 4.240 CV 1
ASSI { 1724}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HA ))
2.600 0.900 0.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.36399E-02 ppm1 8.370 ppm2 4.028 CV 1
ASSI { 1725}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 55 and name HB3 ))
3.100 1.200 1.200 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.17900E-02 ppm1 8.371 ppm2 3.078 CV 1
OR { 1725}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 55 and name HB2 ))
ASSI { 1727}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HB3 ))
2.400 0.700 0.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.63659E-02 ppm1 8.371 ppm2 2.273 CV 1
OR { 1727}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 56 and name HB2 ))
ASSI { 1728}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 57 and name HB2 ))
4.500 2.500 1.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.84690E-03 ppm1 8.369 ppm2 1.954 CV 1
ASSI { 1732}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HB2 ))
2.700 2.700 3.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.77529E-03 ppm1 8.372 ppm2 1.317 CV 1
OR { 1732}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HB1 ))
OR { 1732}
(( segid "B " and resid 56 and name H ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 1736}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HA ))
2.600 0.900 0.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.39822E-02 ppm1 7.978 ppm2 4.089 CV 1
ASSI { 1738}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HG3 ))
2.900 1.000 1.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 7.976 ppm2 2.511 CV 1
OR { 1738}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name HG2 ))
ASSI { 1740}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HB2 ))
2.500 0.800 0.800 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.42101E-02 ppm1 7.978 ppm2 1.930 CV 1
OR { 1740}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 57 and name HB3 ))
ASSI { 1744}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 54 and name HB2 ))
2.800 2.800 3.200 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.71181E-03 ppm1 7.976 ppm2 1.324 CV 1
OR { 1744}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 54 and name HB3 ))
OR { 1744}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 54 and name HB1 ))
ASSI { 1745}
(( segid "B " and resid 57 and name H ))
( segid "C " and resid 1926 and name HD2%)
4.700 2.700 1.300 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.56649E-03 ppm1 7.976 ppm2 0.864 CV 1
ASSI { 1747}
(( segid "B " and resid 57 and name H ))
(( segid "B " and resid 56 and name H ))
2.600 0.800 0.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.30468E-02 ppm1 7.978 ppm2 8.370 CV 1
ASSI { 1750}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 59 and name HB2 ))
3.800 1.900 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.64479E-03 ppm1 8.000 ppm2 2.268 CV 1
ASSI { 1752}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HB2 ))
2.400 0.700 0.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 8.000 ppm2 1.504 CV 1
ASSI { 1753}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HG ))
4.200 2.200 1.800 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 7.992 ppm2 1.418 CV 1
ASSI { 1755}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HD21))
4.200 2.200 1.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.14968E-02 ppm1 8.000 ppm2 0.844 CV 1
OR { 1755}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HD23))
OR { 1755}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 58 and name HD22))
ASSI { 1757}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 56 and name H ))
4.000 2.000 2.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.61612E-03 ppm1 8.000 ppm2 8.367 CV 1
ASSI { 1758}
(( segid "B " and resid 58 and name H ))
(( segid "B " and resid 59 and name H ))
2.700 0.900 0.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.18417E-02 ppm1 7.998 ppm2 8.263 CV 1
ASSI { 1762}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 60 and name HA ))
4.700 2.700 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.67804E-03 ppm1 8.264 ppm2 4.308 CV 1
ASSI { 1764}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HA ))
2.700 0.900 0.900 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.26717E-02 ppm1 8.264 ppm2 3.923 CV 1
ASSI { 1765}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HG2 ))
4.500 2.500 1.500 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.96206E-03 ppm1 8.264 ppm2 2.601 CV 1
ASSI { 1767}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.26738E-02 ppm1 8.264 ppm2 2.258 CV 1
ASSI { 1768}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 59 and name HB3 ))
2.300 0.700 0.700 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.39157E-02 ppm1 8.264 ppm2 1.907 CV 1
ASSI { 1770}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 58 and name HG ))
3.800 1.800 1.800 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.69134E-03 ppm1 8.265 ppm2 1.422 CV 1
ASSI { 1773}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 61 and name H ))
2.600 0.800 0.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.26400E-02 ppm1 8.051 ppm2 7.720 CV 1
ASSI { 1775}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 60 and name HA ))
2.500 0.800 0.800 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.51429E-02 ppm1 8.050 ppm2 4.307 CV 1
ASSI { 1777}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HA ))
3.400 1.400 1.400 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 8.051 ppm2 3.923 CV 1
ASSI { 1780}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HB2 ))
3.400 1.400 1.400 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.23223E-02 ppm1 8.051 ppm2 2.261 CV 1
ASSI { 1781}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name HB3 ))
2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.19497E-02 ppm1 8.051 ppm2 1.899 CV 1
ASSI { 1784}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 59 and name H ))
2.700 0.900 0.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.25571E-02 ppm1 8.049 ppm2 8.266 CV 1
ASSI { 1785}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HD21))
4.500 2.500 1.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.75634E-03 ppm1 7.716 ppm2 7.121 CV 1
ASSI { 1786}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HD22))
4.800 2.900 1.200 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.72818E-03 ppm1 7.717 ppm2 6.889 CV 1
ASSI { 1787}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HA ))
2.700 0.900 0.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.37704E-02 ppm1 7.720 ppm2 4.555 CV 1
ASSI { 1788}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 60 and name HA ))
3.200 1.200 1.200 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.15874E-02 ppm1 7.719 ppm2 4.305 CV 1
ASSI { 1790}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 59 and name HA ))
3.600 1.600 1.600 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.56239E-03 ppm1 7.721 ppm2 3.927 CV 1
ASSI { 1791}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HB2 ))
2.400 0.700 0.700 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.24241E-02 ppm1 7.719 ppm2 2.866 CV 1
ASSI { 1792}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 61 and name HB3 ))
3.500 1.500 1.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.21462E-02 ppm1 7.718 ppm2 2.325 CV 1
ASSI { 1793}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HG ))
4.800 2.800 1.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.70568E-03 ppm1 7.716 ppm2 1.811 CV 1
ASSI { 1794}
(( segid "B " and resid 61 and name H ))
( segid "C " and resid 1917 and name HD2%)
4.500 2.600 1.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.72053E-03 ppm1 7.720 ppm2 1.009 CV 1
ASSI { 1796}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD12))
4.800 2.900 1.200 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.56494E-03 ppm1 7.716 ppm2 0.563 CV 1
OR { 1796}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD11))
OR { 1796}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD13))
ASSI { 1797}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD21))
4.000 2.000 2.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.65554E-03 ppm1 7.721 ppm2 0.417 CV 1
OR { 1797}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD23))
OR { 1797}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name HD22))
ASSI { 1799}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 62 and name H ))
2.400 0.700 0.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.34608E-02 ppm1 7.720 ppm2 8.006 CV 1
ASSI { 1803}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HA ))
2.800 1.000 1.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 8.001 ppm2 4.270 CV 1
ASSI { 1805}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 59 and name HA ))
3.300 1.300 1.300 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.88170E-03 ppm1 8.002 ppm2 3.922 CV 1
ASSI { 1806}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HB2 ))
3.600 1.600 1.600 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.84538E-03 ppm1 7.997 ppm2 2.880 CV 1
ASSI { 1807}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 61 and name HB3 ))
3.700 1.700 1.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.83618E-03 ppm1 7.999 ppm2 2.331 CV 1
ASSI { 1808}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HG ))
3.500 1.500 1.500 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.18504E-02 ppm1 8.000 ppm2 1.810 CV 1
ASSI { 1809}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HB2 ))
2.600 0.900 0.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14047E-02 ppm1 7.999 ppm2 1.677 CV 1
ASSI { 1810}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 62 and name HB3 ))
3.700 1.700 1.700 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 8.001 ppm2 1.377 CV 1
ASSI { 1816}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 59 and name HA ))
3.900 1.900 1.900 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.68983E-03 ppm1 7.770 ppm2 3.931 CV 1
ASSI { 1817}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 63 and name HB2 ))
2.700 0.900 0.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.36051E-02 ppm1 7.768 ppm2 2.913 CV 1
ASSI { 1818}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 63 and name HB3 ))
2.700 0.900 0.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 7.768 ppm2 2.414 CV 1
ASSI { 1819}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HG ))
4.400 2.400 1.600 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.89094E-03 ppm1 7.769 ppm2 1.809 CV 1
ASSI { 1820}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HB2 ))
3.200 1.300 1.300 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 7.769 ppm2 1.674 CV 1
ASSI { 1823}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HD12))
4.500 2.500 1.500 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.66219E-03 ppm1 7.765 ppm2 0.551 CV 1
OR { 1823}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HD11))
OR { 1823}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name HD13))
ASSI { 1825}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 62 and name H ))
2.400 0.700 0.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.32419E-02 ppm1 7.767 ppm2 8.001 CV 1
ASSI { 1827}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name H ))
3.200 1.300 1.300 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 8.305 ppm2 7.766 CV 1
ASSI { 1829}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HA ))
2.200 0.600 0.600 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.84590E-02 ppm1 8.303 ppm2 4.775 CV 1
ASSI { 1830}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 64 and name HA ))
2.600 0.800 0.800 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.57466E-02 ppm1 8.303 ppm2 4.323 CV 1
ASSI { 1834}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 74 and name HG3 ))
3.800 1.800 1.800 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 8.306 ppm2 2.609 CV 1
ASSI { 1835}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HB3 ))
4.000 2.000 2.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 8.301 ppm2 2.414 CV 1
ASSI { 1837}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HD21))
3.900 1.900 1.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 8.178 ppm2 7.827 CV 1
ASSI { 1838}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 66 and name H ))
2.300 0.600 0.600 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.58645E-02 ppm1 8.176 ppm2 7.689 CV 1
ASSI { 1839}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HA ))
2.700 0.900 0.900 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.44229E-02 ppm1 8.177 ppm2 4.878 CV 1
ASSI { 1840}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 63 and name HA ))
3.000 1.100 1.100 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.17517E-02 ppm1 8.178 ppm2 4.775 CV 1
ASSI { 1841}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HA ))
3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.23990E-02 ppm1 8.175 ppm2 4.323 CV 1
ASSI { 1844}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HB2 ))
2.800 1.000 1.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 8.179 ppm2 3.320 CV 1
ASSI { 1845}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 65 and name HB3 ))
3.300 1.400 1.400 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.25269E-02 ppm1 8.175 ppm2 2.899 CV 1
ASSI { 1847}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 67 and name H ))
4.000 2.000 2.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 8.180 ppm2 8.733 CV 1
ASSI { 1848}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name H ))
2.600 0.800 0.800 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.37158E-02 ppm1 8.177 ppm2 8.305 CV 1
ASSI { 1849}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 66 and name HG3 ))
4.500 2.600 1.500 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.83260E-03 ppm1 8.178 ppm2 1.632 CV 1
OR { 1849}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 66 and name HG2 ))
ASSI { 1850}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HA ))
3.100 1.200 1.200 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 7.688 ppm2 4.876 CV 1
ASSI { 1852}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HA ))
2.100 0.500 0.500 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.94056E-02 ppm1 7.688 ppm2 4.152 CV 1
ASSI { 1853}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HD3 ))
3.900 1.900 1.900 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 7.688 ppm2 3.304 CV 1
OR { 1853}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HD2 ))
ASSI { 1855}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HB2 ))
3.400 1.400 1.400 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.23596E-02 ppm1 7.689 ppm2 2.049 CV 1
OR { 1855}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HB3 ))
ASSI { 1856}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HG3 ))
2.700 0.900 0.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.40745E-02 ppm1 7.689 ppm2 1.634 CV 1
OR { 1856}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 66 and name HG2 ))
ASSI { 1857}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 67 and name H ))
2.900 1.000 1.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.30274E-02 ppm1 7.688 ppm2 8.736 CV 1
ASSI { 1858}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 64 and name H ))
4.300 2.300 1.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.97433E-03 ppm1 7.685 ppm2 8.303 CV 1
ASSI { 1864}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HA ))
2.800 0.900 0.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.37494E-02 ppm1 8.734 ppm2 4.820 CV 1
ASSI { 1866}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 65 and name HB2 ))
3.700 1.700 1.700 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.57059E-03 ppm1 8.734 ppm2 3.305 CV 1
ASSI { 1867}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HB2 ))
3.000 1.100 1.100 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.17317E-02 ppm1 8.733 ppm2 3.189 CV 1
ASSI { 1868}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 67 and name HB3 ))
3.200 1.300 1.300 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.19303E-02 ppm1 8.736 ppm2 2.425 CV 1
ASSI { 1869}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HB3 ))
4.000 2.000 2.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.10654E-02 ppm1 8.730 ppm2 2.047 CV 1
OR { 1869}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HB2 ))
ASSI { 1870}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HG2 ))
2.600 2.600 3.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 8.734 ppm2 1.637 CV 1
OR { 1870}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HG3 ))
ASSI { 1871}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HA ))
2.600 0.800 0.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.29901E-02 ppm1 7.818 ppm2 4.868 CV 1
ASSI { 1872}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HA ))
2.400 0.700 0.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.59361E-02 ppm1 7.817 ppm2 4.152 CV 1
ASSI { 1874}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HB3 ))
3.800 1.800 1.800 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 7.817 ppm2 3.130 CV 1
ASSI { 1876}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HG2 ))
2.700 0.900 0.900 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.36629E-02 ppm1 7.817 ppm2 2.159 CV 1
ASSI { 1878}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 28 and name HD2 ))
4.600 2.600 1.400 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.55626E-03 ppm1 7.811 ppm2 1.712 CV 1
ASSI { 1879}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 69 and name HB2 ))
3.100 1.200 1.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.24446E-02 ppm1 7.817 ppm2 1.485 CV 1
ASSI { 1881}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 67 and name H ))
3.100 1.200 1.200 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 7.817 ppm2 8.735 CV 1
ASSI { 1882}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 29 and name H ))
3.200 1.300 1.300 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.71743E-03 ppm1 10.037 ppm2 9.664 CV 1
ASSI { 1885}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 30 and name HA ))
3.900 1.900 1.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.70875E-03 ppm1 10.037 ppm2 4.796 CV 1
ASSI { 1886}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 70 and name HB ))
2.700 0.900 0.900 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 10.040 ppm2 2.246 CV 1
ASSI { 1888}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 59 and name HE3 ))
3.200 1.300 1.300 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.17532E-02 ppm1 10.039 ppm2 1.969 CV 1
OR { 1888}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 59 and name HE1 ))
OR { 1888}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 59 and name HE2 ))
ASSI { 1889}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name HB2 ))
3.600 1.700 1.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.73228E-03 ppm1 10.043 ppm2 1.491 CV 1
ASSI { 1893}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 70 and name HA ))
2.400 0.700 0.700 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 9.362 ppm2 5.299 CV 1
ASSI { 1894}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HA ))
3.600 1.600 1.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.62125E-03 ppm1 9.362 ppm2 5.191 CV 1
ASSI { 1895}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 74 and name HG3 ))
4.100 2.100 1.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.15204E-02 ppm1 9.364 ppm2 2.604 CV 1
ASSI { 1896}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 74 and name HB3 ))
3.200 1.300 1.300 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.82030E-03 ppm1 9.363 ppm2 2.129 CV 1
ASSI { 1899}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 73 and name H ))
3.500 1.500 1.500 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 8.968 ppm2 8.270 CV 1
ASSI { 1900}
(( segid "B " and resid 72 and name H ))
( segid "B " and resid 27 and name HD% )
2.700 2.700 3.300 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.86175E-03 ppm1 8.974 ppm2 7.488 CV 1
ASSI { 1902}
(( segid "B " and resid 72 and name H ))
( segid "B " and resid 72 and name HD% )
4.500 2.600 1.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 8.977 ppm2 6.213 CV 1
ASSI { 1905}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HA ))
3.100 1.200 1.200 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 8.977 ppm2 3.202 CV 1
ASSI { 1906}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HB2 ))
2.600 0.800 0.800 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.20648E-02 ppm1 8.973 ppm2 2.739 CV 1
ASSI { 1907}
(( segid "B " and resid 72 and name H ))
(( segid "B " and resid 72 and name HB3 ))
3.700 1.700 1.700 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 8.973 ppm2 2.475 CV 1
ASSI { 1910}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name H ))
2.700 0.900 0.900 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 8.892 ppm2 8.272 CV 1
ASSI { 1911}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HA ))
2.800 1.000 1.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 8.895 ppm2 4.006 CV 1
ASSI { 1912}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HG2 ))
4.400 2.400 1.600 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 8.895 ppm2 2.922 CV 1
ASSI { 1913}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HG3 ))
4.000 2.000 2.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.21078E-02 ppm1 8.897 ppm2 2.605 CV 1
ASSI { 1914}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HG2 ))
3.800 1.800 1.800 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.89297E-03 ppm1 8.892 ppm2 2.418 CV 1
ASSI { 1917}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HB3 ))
3.900 1.900 1.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.79779E-03 ppm1 8.897 ppm2 2.130 CV 1
ASSI { 1919}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 71 and name H ))
4.400 2.400 1.600 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.59413E-03 ppm1 8.902 ppm2 9.373 CV 1
ASSI { 1920}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 76 and name H ))
2.800 0.900 0.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 8.747 ppm2 8.331 CV 1
ASSI { 1921}
(( segid "B " and resid 75 and name H ))
( segid "B " and resid 75 and name HD% )
4.500 2.500 1.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.81161E-03 ppm1 8.744 ppm2 6.898 CV 1
ASSI { 1924}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.98305E-03 ppm1 8.745 ppm2 3.309 CV 1
ASSI { 1925}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 72 and name HA ))
3.300 1.400 1.400 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.10639E-02 ppm1 8.750 ppm2 3.202 CV 1
ASSI { 1928}
(( segid "B " and resid 75 and name H ))
( segid "C " and resid 1910 and name HE% )
5.100 3.300 0.900 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.62432E-03 ppm1 8.747 ppm2 2.023 CV 1
ASSI { 1930}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 74 and name H ))
2.900 1.000 1.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 8.746 ppm2 8.900 CV 1
ASSI { 1931}
(( segid "B " and resid 76 and name H ))
( segid "B " and resid 75 and name HD% )
3.900 1.900 1.900 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.57673E-03 ppm1 8.333 ppm2 6.911 CV 1
ASSI { 1933}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HA ))
3.500 1.500 1.500 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.81313E-03 ppm1 8.327 ppm2 4.307 CV 1
ASSI { 1934}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 73 and name HA ))
3.200 1.200 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 8.332 ppm2 3.961 CV 1
ASSI { 1937}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HB2 ))
4.300 2.400 1.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.72512E-03 ppm1 8.332 ppm2 3.302 CV 1
ASSI { 1938}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HB2 ))
2.500 0.800 0.800 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 8.328 ppm2 3.104 CV 1
ASSI { 1939}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 75 and name HB3 ))
3.300 1.400 1.400 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.62890E-03 ppm1 8.329 ppm2 2.996 CV 1
ASSI { 1940}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 76 and name HB3 ))
3.600 1.600 1.600 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 8.328 ppm2 2.597 CV 1
ASSI { 1943}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 77 and name HG11))
4.100 2.100 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.66626E-03 ppm1 8.327 ppm2 1.167 CV 1
OR { 1943}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 77 and name HG12))
OR { 1943}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 77 and name HG13))
ASSI { 1945}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 78 and name H ))
2.500 0.800 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 8.377 ppm2 7.669 CV 1
ASSI { 1948}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 74 and name HA ))
3.700 1.700 1.700 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.69031E-03 ppm1 8.384 ppm2 4.011 CV 1
ASSI { 1949}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 73 and name HA ))
3.800 1.800 1.800 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.59668E-03 ppm1 8.376 ppm2 3.942 CV 1
ASSI { 1950}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HA ))
3.600 1.600 1.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.64375E-03 ppm1 8.379 ppm2 3.574 CV 1
ASSI { 1951}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HA ))
2.500 0.800 0.800 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.19727E-02 ppm1 8.381 ppm2 3.421 CV 1
ASSI { 1952}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HB2 ))
2.900 1.100 1.100 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.68163E-03 ppm1 8.380 ppm2 3.099 CV 1
ASSI { 1953}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 76 and name HB3 ))
3.900 1.900 1.900 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.69341E-03 ppm1 8.380 ppm2 2.600 CV 1
ASSI { 1954}
(( segid "B " and resid 77 and name H ))
(( segid "B " and resid 77 and name HB ))
2.300 0.700 0.700 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.26124E-02 ppm1 8.377 ppm2 2.293 CV 1
ASSI { 1955}
(( segid "B " and resid 77 and name H ))
( segid "C " and resid 1910 and name HE% )
2.800 1.000 1.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.91396E-03 ppm1 8.378 ppm2 2.014 CV 1
OR { 1955}
(( segid "B " and resid 77 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 1962}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 78 and name HA ))
2.800 0.900 0.900 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.20198E-02 ppm1 7.667 ppm2 4.327 CV 1
ASSI { 1963}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 78 and name HB2 ))
2.800 1.000 1.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 7.670 ppm2 3.406 CV 1
ASSI { 1964}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 78 and name HB3 ))
2.300 0.700 0.700 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.19149E-02 ppm1 7.666 ppm2 3.234 CV 1
ASSI { 1965}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HB ))
3.400 1.500 1.500 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.12650E-02 ppm1 7.667 ppm2 2.296 CV 1
ASSI { 1970}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 79 and name H ))
2.600 0.800 0.800 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.18233E-02 ppm1 7.673 ppm2 8.576 CV 1
ASSI { 1971}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 80 and name H ))
2.700 0.900 0.900 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 8.574 ppm2 8.243 CV 1
ASSI { 1973}
(( segid "B " and resid 79 and name H ))
( segid "B " and resid 78 and name HD% )
2.800 1.000 1.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.13586E-02 ppm1 8.579 ppm2 7.006 CV 1
ASSI { 1975}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 76 and name HA ))
3.000 1.100 1.100 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 8.580 ppm2 3.555 CV 1
ASSI { 1976}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HA ))
2.700 0.900 0.900 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 8.578 ppm2 3.276 CV 1
ASSI { 1977}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HB2 ))
2.400 0.700 0.700 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.14912E-02 ppm1 8.577 ppm2 1.429 CV 1
ASSI { 1978}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HG ))
2.800 1.000 1.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.24021E-02 ppm1 8.577 ppm2 1.216 CV 1
ASSI { 1979}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HB3 ))
3.400 1.400 1.400 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.22143E-02 ppm1 8.572 ppm2 1.009 CV 1
ASSI { 1980}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HD13))
3.300 1.400 1.400 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 8.578 ppm2 0.464 CV 1
OR { 1980}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HD11))
OR { 1980}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HD12))
OR { 1980}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HD21))
OR { 1980}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 79 and name HD23))
ASSI { 1982}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 80 and name HB2 ))
3.100 1.200 1.200 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.19333E-02 ppm1 8.240 ppm2 4.308 CV 1
ASSI { 1983}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 80 and name HA ))
2.700 0.900 0.900 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.23780E-02 ppm1 8.242 ppm2 3.880 CV 1
ASSI { 1985}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 80 and name HB3 ))
2.600 0.900 0.900 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.28662E-02 ppm1 8.240 ppm2 3.418 CV 1
ASSI { 1986}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 79 and name HA ))
2.700 0.900 0.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.39383E-02 ppm1 8.240 ppm2 3.268 CV 1
ASSI { 1989}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 79 and name HB2 ))
3.000 1.100 1.100 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.88836E-03 ppm1 8.237 ppm2 1.432 CV 1
ASSI { 1994}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 81 and name HA ))
4.100 2.100 1.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.96872E-03 ppm1 8.240 ppm2 4.355 CV 1
ASSI { 1998}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 81 and name HA ))
3.300 1.400 1.400 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.82440E-03 ppm1 7.933 ppm2 4.369 CV 1
ASSI { 2000}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 82 and name HA ))
2.900 1.000 1.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.16457E-02 ppm1 7.934 ppm2 3.688 CV 1
ASSI { 2001}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 79 and name HA ))
3.200 1.300 1.300 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 7.933 ppm2 3.283 CV 1
ASSI { 2002}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 81 and name HB2 ))
3.200 1.300 1.300 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.79624E-03 ppm1 7.931 ppm2 3.154 CV 1
ASSI { 2003}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 82 and name HB ))
2.400 0.700 0.700 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.37090E-02 ppm1 7.937 ppm2 1.653 CV 1
ASSI { 2007}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 82 and name HG13))
3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 7.933 ppm2 0.467 CV 1
ASSI { 2011}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 83 and name H ))
2.700 0.900 0.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 7.936 ppm2 8.822 CV 1
ASSI { 2013}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 84 and name H ))
2.900 1.000 1.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.14262E-02 ppm1 8.824 ppm2 8.700 CV 1
ASSI { 2015}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 81 and name HA ))
3.600 1.600 1.600 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.58083E-03 ppm1 8.827 ppm2 4.377 CV 1
ASSI { 2016}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 83 and name HA ))
2.800 1.000 1.000 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 8.825 ppm2 3.948 CV 1
ASSI { 2017}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 80 and name HA ))
3.400 1.400 1.400 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 8.827 ppm2 3.880 CV 1
ASSI { 2018}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 82 and name HA ))
3.200 1.300 1.300 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 8.820 ppm2 3.683 CV 1
ASSI { 2021}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 82 and name HB ))
2.500 0.800 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.19738E-02 ppm1 8.826 ppm2 1.642 CV 1
ASSI { 2025}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 82 and name HG12))
4.200 2.200 1.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.66832E-03 ppm1 8.824 ppm2 0.549 CV 1
ASSI { 2026}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 82 and name HG13))
3.900 1.900 1.900 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.93136E-03 ppm1 8.825 ppm2 0.466 CV 1
ASSI { 2029}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 85 and name H ))
2.800 1.000 1.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 8.696 ppm2 8.082 CV 1
ASSI { 2030}
(( segid "B " and resid 84 and name H ))
( segid "A " and resid 72 and name HE% )
4.000 2.000 2.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.80086E-03 ppm1 8.698 ppm2 6.999 CV 1
ASSI { 2031}
(( segid "B " and resid 84 and name H ))
( segid "A " and resid 72 and name HD% )
4.800 2.900 1.200 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.63455E-03 ppm1 8.704 ppm2 6.166 CV 1
ASSI { 2032}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 81 and name HA ))
3.100 1.200 1.200 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.12179E-02 ppm1 8.700 ppm2 4.376 CV 1
ASSI { 2033}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 84 and name HA ))
3.000 1.100 1.100 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.10598E-02 ppm1 8.699 ppm2 4.094 CV 1
ASSI { 2034}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 83 and name HA ))
3.900 1.900 1.900 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.71950E-03 ppm1 8.701 ppm2 3.945 CV 1
ASSI { 2036}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 84 and name HG3 ))
4.400 2.400 1.600 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.95490E-03 ppm1 8.699 ppm2 2.834 CV 1
ASSI { 2038}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 84 and name HE1 ))
4.300 2.300 1.700 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.72973E-03 ppm1 8.703 ppm2 2.139 CV 1
OR { 2038}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 84 and name HE2 ))
OR { 2038}
(( segid "B " and resid 84 and name H ))
(( segid "B " and resid 84 and name HE3 ))
ASSI { 2041}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 85 and name HA ))
2.600 0.800 0.800 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 8.080 ppm2 4.261 CV 1
ASSI { 2042}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 82 and name HA ))
3.400 1.400 1.400 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 8.080 ppm2 3.688 CV 1
ASSI { 2043}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 85 and name HG2 ))
3.900 1.900 1.900 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 8.081 ppm2 2.909 CV 1
ASSI { 2044}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 85 and name HG3 ))
4.100 2.100 1.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 8.081 ppm2 2.655 CV 1
ASSI { 2045}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 85 and name HB2 ))
2.300 0.700 0.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 8.081 ppm2 2.468 CV 1
ASSI { 2046}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 85 and name HB3 ))
2.800 1.000 1.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 8.081 ppm2 2.310 CV 1
ASSI { 2048}
(( segid "B " and resid 85 and name H ))
(( segid "B " and resid 86 and name H ))
2.700 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 8.081 ppm2 8.351 CV 1
ASSI { 2050}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 86 and name HA ))
2.500 0.800 0.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.35137E-02 ppm1 8.351 ppm2 4.257 CV 1
ASSI { 2051}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 83 and name HA ))
3.300 1.300 1.300 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 8.353 ppm2 3.946 CV 1
ASSI { 2052}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 86 and name HB2 ))
3.000 1.100 1.100 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 8.349 ppm2 3.425 CV 1
ASSI { 2053}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 86 and name HB3 ))
3.000 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 8.352 ppm2 3.081 CV 1
ASSI { 2054}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 85 and name HB2 ))
3.600 1.600 1.600 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 8.352 ppm2 2.471 CV 1
ASSI { 2055}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 85 and name HB3 ))
3.000 1.200 1.200 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.86227E-03 ppm1 8.350 ppm2 2.313 CV 1
ASSI { 2056}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 87 and name HB3 ))
4.100 2.100 1.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.68673E-03 ppm1 8.350 ppm2 1.736 CV 1
ASSI { 2058}
(( segid "B " and resid 86 and name H ))
(( segid "B " and resid 87 and name H ))
2.800 1.000 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 8.350 ppm2 8.610 CV 1
ASSI { 2060}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 88 and name H ))
3.100 1.200 1.200 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 8.606 ppm2 7.702 CV 1
ASSI { 2061}
(( segid "B " and resid 87 and name H ))
( segid "B " and resid 89 and name HD% )
4.300 2.300 1.700 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.58645E-03 ppm1 8.605 ppm2 7.262 CV 1
ASSI { 2062}
(( segid "B " and resid 87 and name H ))
(( segid "A " and resid 72 and name HZ ))
3.700 1.700 1.700 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.76505E-03 ppm1 8.607 ppm2 6.931 CV 1
ASSI { 2063}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 87 and name HA ))
2.600 0.900 0.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.33655E-02 ppm1 8.608 ppm2 4.258 CV 1
ASSI { 2064}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 88 and name HA ))
3.900 1.900 1.900 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.78142E-03 ppm1 8.608 ppm2 3.947 CV 1
ASSI { 2066}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 86 and name HB3 ))
3.300 1.400 1.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.88784E-03 ppm1 8.600 ppm2 3.072 CV 1
ASSI { 2067}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 87 and name HB2 ))
3.200 1.300 1.300 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 8.609 ppm2 2.360 CV 1
ASSI { 2068}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 87 and name HB3 ))
2.800 1.000 1.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 8.607 ppm2 1.743 CV 1
ASSI { 2072}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 89 and name H ))
2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.24712E-02 ppm1 7.703 ppm2 7.377 CV 1
ASSI { 2073}
(( segid "B " and resid 88 and name H ))
( segid "B " and resid 89 and name HD% )
4.200 2.200 1.800 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.59361E-03 ppm1 7.707 ppm2 7.259 CV 1
ASSI { 2074}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 89 and name HA ))
4.800 2.800 1.200 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.56343E-03 ppm1 7.703 ppm2 4.451 CV 1
ASSI { 2076}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 84 and name HA ))
2.900 2.900 3.100 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.54909E-03 ppm1 7.699 ppm2 4.105 CV 1
ASSI { 2077}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 88 and name HA ))
2.700 0.900 0.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.38256E-02 ppm1 7.704 ppm2 3.949 CV 1
ASSI { 2079}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 87 and name HB2 ))
4.000 2.000 2.000 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.90166E-03 ppm1 7.706 ppm2 2.357 CV 1
ASSI { 2080}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 88 and name HB2 ))
2.800 1.000 1.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.30684E-02 ppm1 7.703 ppm2 2.042 CV 1
ASSI { 2081}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 88 and name HB3 ))
3.400 1.400 1.400 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.26631E-02 ppm1 7.705 ppm2 1.894 CV 1
ASSI { 2082}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 87 and name HB3 ))
3.100 1.200 1.200 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.93288E-03 ppm1 7.703 ppm2 1.743 CV 1
ASSI { 2084}
(( segid "B " and resid 89 and name H ))
( segid "B " and resid 89 and name HD% )
2.900 1.000 1.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 7.376 ppm2 7.263 CV 1
ASSI { 2085}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 89 and name HA ))
2.700 0.900 0.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.38550E-02 ppm1 7.375 ppm2 4.452 CV 1
ASSI { 2087}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 88 and name HA ))
3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.16509E-02 ppm1 7.377 ppm2 3.949 CV 1
ASSI { 2089}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 89 and name HB3 ))
3.400 1.400 1.400 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.38798E-02 ppm1 7.375 ppm2 3.030 CV 1
ASSI { 2090}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 88 and name HB2 ))
3.100 1.200 1.200 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 7.373 ppm2 2.041 CV 1
ASSI { 2091}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 88 and name HB3 ))
3.800 1.800 1.800 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 7.374 ppm2 1.894 CV 1
ASSI { 2092}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 101 and name HG2 ))
3.600 1.600 1.600 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.89859E-03 ppm1 7.373 ppm2 1.362 CV 1
OR { 2092}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 101 and name HG3 ))
ASSI { 2094}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 90 and name H ))
2.500 0.800 0.800 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.37245E-02 ppm1 7.375 ppm2 7.736 CV 1
ASSI { 2096}
(( segid "B " and resid 90 and name H ))
( segid "B " and resid 89 and name HD% )
4.300 2.300 1.700 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.97688E-03 ppm1 7.747 ppm2 7.262 CV 1
ASSI { 2097}
(( segid "B " and resid 90 and name H ))
( segid "B " and resid 90 and name HD% )
3.900 1.900 1.900 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.20766E-02 ppm1 7.746 ppm2 6.933 CV 1
ASSI { 2098}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 89 and name HA ))
3.400 1.400 1.400 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 7.746 ppm2 4.452 CV 1
ASSI { 2100}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 90 and name HA ))
2.700 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.37352E-02 ppm1 7.746 ppm2 4.180 CV 1
ASSI { 2101}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 89 and name HB2 ))
2.600 0.800 0.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.15326E-02 ppm1 7.747 ppm2 3.265 CV 1
ASSI { 2102}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 90 and name HB2 ))
2.500 0.800 0.800 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.48329E-02 ppm1 7.746 ppm2 3.037 CV 1
ASSI { 2103}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 90 and name HB3 ))
2.400 0.700 0.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.34763E-02 ppm1 7.746 ppm2 2.943 CV 1
ASSI { 2105}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 91 and name H ))
2.700 0.900 0.900 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.24343E-02 ppm1 7.746 ppm2 8.101 CV 1
ASSI { 2108}
(( segid "B " and resid 91 and name H ))
( segid "B " and resid 90 and name HD% )
3.200 1.300 1.300 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.15398E-02 ppm1 8.101 ppm2 6.932 CV 1
ASSI { 2109}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 90 and name HA ))
2.800 1.000 1.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.50257E-02 ppm1 8.099 ppm2 4.181 CV 1
ASSI { 2112}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 90 and name HB3 ))
2.700 0.900 0.900 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 8.098 ppm2 2.941 CV 1
ASSI { 2113}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 91 and name HG3 ))
3.500 1.500 1.500 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 8.099 ppm2 2.279 CV 1
ASSI { 2114}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 91 and name HG2 ))
3.300 1.300 1.300 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.14687E-02 ppm1 8.098 ppm2 1.976 CV 1
ASSI { 2115}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 91 and name HB2 ))
2.800 0.900 0.900 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.22695E-02 ppm1 8.097 ppm2 1.904 CV 1
ASSI { 2116}
(( segid "B " and resid 91 and name H ))
(( segid "B " and resid 91 and name HB3 ))
2.900 1.100 1.100 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.26441E-02 ppm1 8.098 ppm2 1.802 CV 1
ASSI { 2117}
(( segid "B " and resid 92 and name H ))
( segid "B " and resid 90 and name HD% )
2.700 2.700 3.300 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.73535E-03 ppm1 7.230 ppm2 6.934 CV 1
ASSI { 2118}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 89 and name HA ))
3.500 1.600 1.600 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.91089E-03 ppm1 7.232 ppm2 4.448 CV 1
ASSI { 2119}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 90 and name HA ))
3.600 1.600 1.600 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.80954E-03 ppm1 7.231 ppm2 4.179 CV 1
ASSI { 2120}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name HA ))
2.800 1.000 1.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.36319E-02 ppm1 7.231 ppm2 3.974 CV 1
ASSI { 2121}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 92 and name HA2 ))
2.300 0.700 0.700 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.62073E-02 ppm1 7.231 ppm2 3.806 CV 1
ASSI { 2122}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 92 and name HA3 ))
2.800 1.000 1.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.61202E-02 ppm1 7.231 ppm2 3.731 CV 1
ASSI { 2123}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name HG2 ))
4.200 2.200 1.800 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.61512E-03 ppm1 7.231 ppm2 1.975 CV 1
ASSI { 2124}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name HB2 ))
3.500 1.500 1.500 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 7.231 ppm2 1.904 CV 1
ASSI { 2125}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name HB3 ))
3.500 1.500 1.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 7.232 ppm2 1.801 CV 1
ASSI { 2127}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name H ))
2.500 0.800 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.37336E-02 ppm1 7.230 ppm2 8.100 CV 1
ASSI { 2128}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 93 and name H ))
2.700 0.900 0.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.33568E-02 ppm1 7.230 ppm2 7.971 CV 1
ASSI { 2129}
(( segid "B " and resid 93 and name H ))
( segid "B " and resid 93 and name HD% )
3.800 1.800 1.800 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.23673E-02 ppm1 7.972 ppm2 7.291 CV 1
ASSI { 2131}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 93 and name HA ))
2.400 0.700 0.700 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.76812E-02 ppm1 7.970 ppm2 4.799 CV 1
ASSI { 2132}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 94 and name HA ))
3.400 1.500 1.500 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.91292E-03 ppm1 7.970 ppm2 4.449 CV 1
ASSI { 2134}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 92 and name HA2 ))
2.700 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.42899E-02 ppm1 7.970 ppm2 3.805 CV 1
ASSI { 2136}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 94 and name HD3 ))
3.600 1.600 1.600 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.17235E-02 ppm1 7.972 ppm2 3.565 CV 1
ASSI { 2137}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 93 and name HB2 ))
2.500 0.800 0.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.38973E-02 ppm1 7.971 ppm2 3.148 CV 1
ASSI { 2138}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 93 and name HB3 ))
2.700 0.900 0.900 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.69851E-02 ppm1 7.971 ppm2 2.934 CV 1
ASSI { 2140}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 101 and name HG3 ))
2.800 2.800 3.200 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.67036E-03 ppm1 7.968 ppm2 1.358 CV 1
OR { 2140}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 101 and name HG2 ))
ASSI { 2143}
(( segid "B " and resid 95 and name H ))
( segid "B " and resid 93 and name HD% )
3.800 1.800 1.800 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.64734E-03 ppm1 8.289 ppm2 7.286 CV 1
ASSI { 2145}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 88 and name HA ))
2.800 2.800 3.200 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.58796E-03 ppm1 8.293 ppm2 3.953 CV 1
ASSI { 2146}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 93 and name HB2 ))
2.600 2.600 3.400 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.89297E-03 ppm1 8.290 ppm2 3.141 CV 1
ASSI { 2147}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 93 and name HB3 ))
3.300 1.400 1.400 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.77732E-03 ppm1 8.294 ppm2 2.941 CV 1
ASSI { 2150}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 95 and name HB2 ))
2.900 1.000 1.000 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.51277E-02 ppm1 8.295 ppm2 2.764 CV 1
ASSI { 2151}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 95 and name HB3 ))
2.600 0.800 0.800 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.67139E-02 ppm1 8.295 ppm2 2.684 CV 1
ASSI { 2152}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 94 and name HB2 ))
3.900 1.900 1.900 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 8.297 ppm2 2.263 CV 1
ASSI { 2153}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 94 and name HB3 ))
3.600 1.600 1.600 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.52401E-02 ppm1 8.292 ppm2 1.974 CV 1
ASSI { 2155}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 94 and name HA ))
4.600 2.600 1.400 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.75275E-03 ppm1 8.150 ppm2 4.445 CV 1
ASSI { 2156}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 93 and name HB3 ))
3.600 1.600 1.600 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.55881E-03 ppm1 8.151 ppm2 2.932 CV 1
ASSI { 2158}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 95 and name H ))
2.800 1.000 1.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.32096E-02 ppm1 8.142 ppm2 8.295 CV 1
ASSI { 2161}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 96 and name HA ))
2.400 0.700 0.700 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.71233E-02 ppm1 8.144 ppm2 4.371 CV 1
ASSI { 2163}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 96 and name HB3 ))
2.700 0.900 0.900 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.60027E-02 ppm1 8.144 ppm2 1.801 CV 1
ASSI { 2164}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 96 and name HB2 ))
2.800 1.000 1.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.29573E-02 ppm1 8.144 ppm2 1.928 CV 1
ASSI { 2167}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 97 and name HA ))
2.800 0.900 0.900 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.31871E-02 ppm1 8.216 ppm2 4.655 CV 1
ASSI { 2168}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 96 and name HA ))
2.400 0.700 0.700 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.73997E-02 ppm1 8.215 ppm2 4.371 CV 1
ASSI { 2169}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 97 and name HG2 ))
3.300 1.400 1.400 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.20254E-02 ppm1 8.214 ppm2 2.431 CV 1
OR { 2169}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 97 and name HG3 ))
ASSI { 2170}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 97 and name HB2 ))
3.200 1.300 1.300 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 8.215 ppm2 2.145 CV 1
ASSI { 2171}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 97 and name HB3 ))
2.900 1.100 1.100 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.44429E-02 ppm1 8.215 ppm2 1.993 CV 1
ASSI { 2172}
(( segid "B " and resid 97 and name H ))
(( segid "B " and resid 96 and name HB3 ))
3.900 1.900 1.900 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.81775E-03 ppm1 8.214 ppm2 1.809 CV 1
ASSI { 2173}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 88 and name HG2 ))
3.300 1.400 1.400 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.18105E-02 ppm1 7.704 ppm2 2.177 CV 1
ASSI { 2175}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HE3 ))
5.200 3.400 0.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.38798E-03 ppm1 8.117 ppm2 3.035 CV 1
OR { 2175}
(( segid "A " and resid 57 and name H ))
(( segid "A " and resid 57 and name HE2 ))
ASSI { 2176}
(( segid "A " and resid 52 and name H ))
(( segid "A " and resid 52 and name HB2 ))
2.300 0.700 0.700 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.49882E-02 ppm1 8.797 ppm2 2.163 CV 1
ASSI { 2177}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 50 and name HB ))
3.600 1.700 1.700 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.97433E-03 ppm1 8.307 ppm2 4.485 CV 1
ASSI { 2178}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 49 and name HG2 ))
2.000 0.500 0.500 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.62739E-02 ppm1 8.258 ppm2 1.802 CV 1
ASSI { 2180}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HD3 ))
4.700 2.700 1.300 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.49895E-03 ppm1 8.568 ppm2 1.759 CV 1
OR { 2180}
(( segid "A " and resid 48 and name H ))
(( segid "A " and resid 48 and name HD2 ))
ASSI { 2181}
(( segid "B " and resid 48 and name H ))
(( segid "B " and resid 48 and name HB3 ))
3.200 1.300 1.300 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.21360E-02 ppm1 8.291 ppm2 1.811 CV 1
ASSI { 2182}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HD2 ))
3.000 1.100 1.100 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.90166E-03 ppm1 9.965 ppm2 3.725 CV 1
ASSI { 2185}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HD2 ))
3.300 1.400 1.400 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.45375E-03 ppm1 9.804 ppm2 3.737 CV 1
ASSI { 2186}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HB2 ))
3.800 1.800 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.38789E-03 ppm1 9.965 ppm2 2.445 CV 1
ASSI { 2187}
(( segid "B " and resid 44 and name H ))
(( segid "B " and resid 43 and name HB3 ))
4.600 2.600 1.400 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.65606E-03 ppm1 9.965 ppm2 2.022 CV 1
ASSI { 2188}
(( segid "A " and resid 44 and name H ))
(( segid "A " and resid 43 and name HB3 ))
4.200 2.200 1.800 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 9.804 ppm2 2.030 CV 1
ASSI { 2196}
(( segid "B " and resid 36 and name H ))
(( segid "B " and resid 36 and name HG2 ))
4.300 2.300 1.700 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.17179E-02 ppm1 7.852 ppm2 2.503 CV 1
ASSI { 2197}
(( segid "B " and resid 35 and name H ))
(( segid "B " and resid 35 and name HD3 ))
4.500 2.500 1.500 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.94363E-03 ppm1 8.025 ppm2 1.218 CV 1
ASSI { 2198}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HD2 ))
5.300 3.500 0.700 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.51990E-03 ppm1 8.394 ppm2 1.781 CV 1
OR { 2198}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 31 and name HD3 ))
ASSI { 2200}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 30 and name HB2 ))
4.200 2.200 1.800 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.26139E-03 ppm1 9.626 ppm2 3.497 CV 1
ASSI { 2201}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 30 and name HB3 ))
3.500 1.600 1.600 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.51277E-03 ppm1 9.626 ppm2 3.045 CV 1
ASSI { 2202}
(( segid "B " and resid 30 and name H ))
(( segid "B " and resid 30 and name HB2 ))
6.000 5.700 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.14999E-04 ppm1 9.592 ppm2 3.509 CV 1
ASSI { 2204}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HE2 ))
3.700 1.700 1.700 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 7.197 ppm2 3.130 CV 1
OR { 2204}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 28 and name HE3 ))
ASSI { 2205}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HA ))
2.800 1.000 1.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 7.207 ppm2 5.150 CV 1
ASSI { 2206}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 27 and name HA ))
3.000 1.100 1.100 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.19753E-02 ppm1 7.207 ppm2 4.843 CV 1
ASSI { 2208}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 20 and name HB2 ))
2.700 0.900 0.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 7.210 ppm2 3.074 CV 1
ASSI { 2209}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HE2 ))
4.100 2.100 1.900 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.68573E-03 ppm1 7.209 ppm2 3.118 CV 1
OR { 2209}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HE3 ))
ASSI { 2210}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HB3 ))
3.400 1.400 1.400 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 7.209 ppm2 1.728 CV 1
OR { 2210}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HB2 ))
ASSI { 2211}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HG2 ))
3.300 1.400 1.400 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 7.207 ppm2 1.515 CV 1
OR { 2211}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HD3 ))
ASSI { 2212}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 28 and name HG3 ))
4.000 2.000 2.000 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.40012E-03 ppm1 7.205 ppm2 1.333 CV 1
ASSI { 2213}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 27 and name HA ))
2.900 1.000 1.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 9.568 ppm2 4.831 CV 1
ASSI { 2214}
(( segid "B " and resid 27 and name H ))
( segid "B " and resid 27 and name HD% )
2.900 1.100 1.100 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.34982E-02 ppm1 9.564 ppm2 7.492 CV 1
ASSI { 2215}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 28 and name H ))
2.200 0.600 0.600 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.60078E-02 ppm1 9.564 ppm2 7.196 CV 1
ASSI { 2219}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HB3 ))
3.000 1.100 1.100 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.35951E-02 ppm1 7.232 ppm2 2.040 CV 1
ASSI { 2220}
(( segid "B " and resid 22 and name H ))
(( segid "B " and resid 22 and name HD3 ))
4.400 2.500 1.600 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.13336E-02 ppm1 7.246 ppm2 1.807 CV 1
ASSI { 2221}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HD3 ))
4.700 2.700 1.300 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.96717E-03 ppm1 7.233 ppm2 1.805 CV 1
ASSI { 2222}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HD2 ))
4.600 2.600 1.400 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.60178E-03 ppm1 7.230 ppm2 1.908 CV 1
ASSI { 2223}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HG3 ))
3.900 1.900 1.900 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 7.228 ppm2 1.485 CV 1
ASSI { 2224}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HE2 ))
5.000 3.100 1.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.31768E-03 ppm1 7.232 ppm2 3.044 CV 1
OR { 2224}
(( segid "A " and resid 22 and name H ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 2225}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 19 and name HA ))
3.100 1.200 1.200 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.14907E-02 ppm1 6.819 ppm2 4.333 CV 1
ASSI { 2227}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 19 and name HB2 ))
2.900 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.96258E-03 ppm1 6.824 ppm2 2.935 CV 1
ASSI { 2228}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 19 and name HB3 ))
4.300 2.300 1.700 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.85765E-03 ppm1 6.819 ppm2 2.353 CV 1
ASSI { 2229}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 18 and name HB3 ))
3.200 1.300 1.300 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.10792E-02 ppm1 6.825 ppm2 1.896 CV 1
OR { 2229}
(( segid "B " and resid 19 and name H ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 2232}
(( segid "B " and resid 19 and name H ))
( segid "B " and resid 19 and name HD% )
2.800 1.000 1.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.19481E-02 ppm1 6.825 ppm2 7.419 CV 1
ASSI { 2234}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HE3 ))
5.200 3.400 0.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 7.776 ppm2 2.960 CV 1
OR { 2234}
(( segid "A " and resid 18 and name H ))
(( segid "A " and resid 18 and name HE2 ))
ASSI { 2239}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 7 and name HD3 ))
3.900 1.900 1.900 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.16104E-02 ppm1 8.258 ppm2 1.812 CV 1
OR { 2239}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 7 and name HD2 ))
ASSI { 2241}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 7 and name HG3 ))
4.100 2.100 1.900 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.94976E-03 ppm1 8.253 ppm2 1.574 CV 1
ASSI { 2242}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 6 and name HB3 ))
3.000 1.100 1.100 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.81826E-03 ppm1 8.253 ppm2 2.196 CV 1
OR { 2242}
(( segid "B " and resid 7 and name H ))
(( segid "B " and resid 6 and name HB2 ))
ASSI { 2244}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 96 and name HG3 ))
3.700 1.700 1.700 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 8.147 ppm2 1.476 CV 1
OR { 2244}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 96 and name HG2 ))
ASSI { 2246}
(( segid "B " and resid 95 and name H ))
(( segid "B " and resid 94 and name HA ))
2.000 0.500 0.500 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.21007E-01 ppm1 8.292 ppm2 4.443 CV 1
ASSI { 2251}
(( segid "B " and resid 92 and name H ))
(( segid "B " and resid 91 and name HG3 ))
4.600 2.700 1.400 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.50980E-03 ppm1 7.232 ppm2 2.279 CV 1
ASSI { 2252}
(( segid "B " and resid 87 and name H ))
(( segid "B " and resid 84 and name HA ))
3.200 1.300 1.300 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.86330E-03 ppm1 8.607 ppm2 4.088 CV 1
ASSI { 2254}
(( segid "A " and resid 71 and name H ))
(( segid "A " and resid 71 and name HB3 ))
4.200 2.200 1.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.33600E-03 ppm1 9.106 ppm2 2.748 CV 1
ASSI { 2255}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HB3 ))
4.600 2.600 1.400 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.32081E-03 ppm1 9.365 ppm2 2.727 CV 1
ASSI { 2256}
(( segid "B " and resid 71 and name H ))
(( segid "B " and resid 71 and name HB2 ))
3.700 1.700 1.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.37449E-03 ppm1 9.370 ppm2 3.599 CV 1
ASSI { 2261}
(( segid "A " and resid 78 and name H ))
( segid "A " and resid 78 and name HE% )
5.000 3.200 1.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.54396E-03 ppm1 8.245 ppm2 7.030 CV 1
ASSI { 2263}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 29 and name HD21))
4.200 2.200 1.800 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 6.854 ppm2 0.287 CV 1
OR { 2263}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 29 and name HD22))
OR { 2263}
(( segid "A " and resid 19 and name H ))
(( segid "A " and resid 29 and name HD23))
ASSI { 6}
( segid "A " and resid 90 and name HD% )
(( segid "A " and resid 90 and name HB3 ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.29890E-02 ppm1 6.919 ppm2 2.821 CV 1
ASSI { 9}
( segid "A " and resid 78 and name HD% )
( segid "C " and resid 1904 and name HG2%)
1.800 0.400 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.76305E-02 ppm1 7.113 ppm2 1.486 CV 1
ASSI { 10}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD12))
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.61312E-02 ppm1 7.115 ppm2 0.926 CV 1
OR { 10}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD13))
OR { 10}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD11))
ASSI { 11}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD12))
2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.44578E-02 ppm1 7.115 ppm2 0.862 CV 1
OR { 11}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD13))
OR { 11}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD11))
ASSI { 12}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD22))
3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 7.114 ppm2 0.791 CV 1
OR { 12}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD21))
OR { 12}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 58 and name HD23))
ASSI { 15}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 82 and name HD12))
3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.17866E-02 ppm1 7.116 ppm2 -0.112 CV 1
OR { 15}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 82 and name HD11))
OR { 15}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 82 and name HD13))
ASSI { 16}
( segid "A " and resid 75 and name HD% )
( segid "A " and resid 75 and name HE% )
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.32551E-02 ppm1 6.926 ppm2 6.702 CV 1
ASSI { 18}
( segid "A " and resid 90 and name HD% )
( segid "A " and resid 90 and name HE% )
2.300 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.93833E-02 ppm1 6.926 ppm2 7.136 CV 1
ASSI { 19}
( segid "B " and resid 90 and name HD% )
( segid "B " and resid 90 and name HE% )
2.300 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.78242E-02 ppm1 6.941 ppm2 7.104 CV 1
ASSI { 20}
( segid "A " and resid 89 and name HD% )
(( segid "A " and resid 89 and name HB3 ))
2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.33487E-02 ppm1 7.126 ppm2 2.993 CV 1
ASSI { 21}
( segid "A " and resid 89 and name HD% )
(( segid "A " and resid 89 and name HB2 ))
2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.30987E-02 ppm1 7.128 ppm2 3.110 CV 1
ASSI { 22}
( segid "A " and resid 89 and name HD% )
(( segid "A " and resid 89 and name HA ))
2.800 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.35069E-02 ppm1 7.130 ppm2 4.437 CV 1
ASSI { 23}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 78 and name HA ))
2.300 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.61182E-02 ppm1 7.115 ppm2 4.276 CV 1
ASSI { 24}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 78 and name HB2 ))
2.400 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.25710E-02 ppm1 7.115 ppm2 3.823 CV 1
ASSI { 25}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 78 and name HB3 ))
2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.23466E-02 ppm1 7.115 ppm2 3.446 CV 1
ASSI { 26}
( segid "B " and resid 89 and name HD% )
(( segid "B " and resid 89 and name HA ))
3.000 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 7.257 ppm2 4.461 CV 1
ASSI { 30}
( segid "A " and resid 78 and name HD% )
( segid "A " and resid 75 and name HD% )
1.600 1.600 4.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.28130E-01 ppm1 7.110 ppm2 6.939 CV 1
ASSI { 31}
( segid "A " and resid 78 and name HD% )
( segid "A " and resid 78 and name HE% )
1.700 0.400 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.15973E-01 ppm1 7.115 ppm2 7.023 CV 1
ASSI { 32}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD21))
2.600 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34940E-02 ppm1 7.111 ppm2 0.292 CV 1
OR { 32}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD23))
OR { 32}
( segid "A " and resid 78 and name HD% )
(( segid "A " and resid 62 and name HD22))
ASSI { 36}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 34 and name HD23))
2.900 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.18382E-02 ppm1 7.026 ppm2 0.781 CV 1
OR { 36}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 34 and name HD22))
OR { 36}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 34 and name HD21))
ASSI { 41}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1904 and name HG2%)
3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19351E-02 ppm1 7.027 ppm2 1.481 CV 1
ASSI { 42}
( segid "B " and resid 78 and name HD% )
( segid "B " and resid 78 and name HE% )
1.800 0.400 0.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.12409E-01 ppm1 7.011 ppm2 6.897 CV 1
ASSI { 43}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 78 and name HA ))
2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.55810E-02 ppm1 7.011 ppm2 4.333 CV 1
ASSI { 44}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 78 and name HB3 ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.34020E-02 ppm1 7.009 ppm2 3.243 CV 1
ASSI { 45}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 78 and name HB2 ))
2.300 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.35344E-02 ppm1 7.009 ppm2 3.399 CV 1
ASSI { 47}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HD13))
2.900 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.34924E-02 ppm1 7.007 ppm2 0.462 CV 1
OR { 47}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HD12))
OR { 47}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HD11))
OR { 47}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HD22))
OR { 47}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HD21))
ASSI { 52}
( segid "B " and resid 78 and name HD% )
( segid "C " and resid 1917 and name HD1%)
2.900 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.53711E-02 ppm1 7.008 ppm2 1.189 CV 1
ASSI { 54}
( segid "B " and resid 78 and name HD% )
(( segid "C " and resid 1928 and name HZ ))
2.800 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.20981E-02 ppm1 7.004 ppm2 7.192 CV 1
ASSI { 55}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 78 and name H ))
3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.24725E-02 ppm1 7.009 ppm2 7.677 CV 1
ASSI { 58}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 82 and name HG12))
3.400 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 6.892 ppm2 0.558 CV 1
ASSI { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD13))
2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.39137E-02 ppm1 6.890 ppm2 1.039 CV 1
OR { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD11))
OR { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD12))
OR { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD22))
OR { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD21))
OR { 60}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 38 and name HD23))
ASSI { 66}
(( segid "B " and resid 78 and name HZ ))
(( segid "B " and resid 38 and name HD11))
2.600 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 6.813 ppm2 1.035 CV 1
OR { 66}
(( segid "B " and resid 78 and name HZ ))
(( segid "B " and resid 38 and name HD13))
OR { 66}
(( segid "B " and resid 78 and name HZ ))
(( segid "B " and resid 38 and name HD12))
OR { 66}
(( segid "B " and resid 78 and name HZ ))
(( segid "B " and resid 38 and name HD21))
OR { 66}
(( segid "B " and resid 78 and name HZ ))
(( segid "B " and resid 38 and name HD22))
ASSI { 67}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 78 and name HZ ))
2.000 0.500 0.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.71046E-02 ppm1 6.892 ppm2 6.819 CV 1
ASSI { 71}
( segid "A " and resid 55 and name HD% )
(( segid "A " and resid 55 and name HA ))
2.900 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.29260E-02 ppm1 7.216 ppm2 4.248 CV 1
ASSI { 72}
( segid "A " and resid 55 and name HD% )
(( segid "A " and resid 52 and name HA ))
3.000 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.52388E-02 ppm1 7.216 ppm2 4.176 CV 1
ASSI { 73}
( segid "A " and resid 55 and name HD% )
(( segid "A " and resid 55 and name HB2 ))
2.600 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.39799E-02 ppm1 7.216 ppm2 3.171 CV 1
ASSI { 74}
( segid "A " and resid 55 and name HD% )
(( segid "A " and resid 55 and name HB3 ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 7.216 ppm2 3.039 CV 1
ASSI { 79}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 55 and name H ))
3.400 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.25790E-02 ppm1 7.177 ppm2 7.973 CV 1
ASSI { 80}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 55 and name HA ))
2.600 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.30568E-02 ppm1 7.178 ppm2 4.084 CV 1
ASSI { 81}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 55 and name HB3 ))
2.600 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.28292E-02 ppm1 7.177 ppm2 3.080 CV 1
ASSI { 82}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 58 and name HD21))
3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.25145E-02 ppm1 7.173 ppm2 0.839 CV 1
OR { 82}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 58 and name HD23))
OR { 82}
( segid "B " and resid 55 and name HD% )
(( segid "B " and resid 58 and name HD22))
ASSI { 86}
( segid "A " and resid 45 and name HD% )
(( segid "A " and resid 45 and name HB2 ))
2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 7.191 ppm2 3.380 CV 1
ASSI { 87}
( segid "A " and resid 45 and name HD% )
(( segid "A " and resid 45 and name HB3 ))
2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25113E-02 ppm1 7.191 ppm2 2.871 CV 1
ASSI { 89}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 45 and name H ))
2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.43383E-02 ppm1 7.321 ppm2 8.044 CV 1
ASSI { 90}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 45 and name HB2 ))
2.100 0.500 0.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.57925E-02 ppm1 7.315 ppm2 3.406 CV 1
ASSI { 91}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 45 and name HA ))
2.400 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33019E-02 ppm1 7.316 ppm2 4.835 CV 1
ASSI { 92}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 42 and name HA ))
3.000 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 7.316 ppm2 5.513 CV 1
ASSI { 93}
( segid "B " and resid 45 and name HD% )
(( segid "C " and resid 1930 and name HA ))
2.700 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.24806E-02 ppm1 7.315 ppm2 4.331 CV 1
ASSI { 94}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 45 and name HB3 ))
2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.39137E-02 ppm1 7.315 ppm2 3.109 CV 1
ASSI { 96}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 42 and name HD12))
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.50031E-02 ppm1 7.316 ppm2 0.778 CV 1
OR { 96}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 42 and name HD13))
ASSI { 101}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 42 and name HB3 ))
1.900 0.500 0.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 7.316 ppm2 1.927 CV 1
ASSI { 102}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 82 and name HD11))
3.300 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19916E-02 ppm1 7.316 ppm2 -0.157 CV 1
OR { 102}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 82 and name HD13))
OR { 102}
( segid "B " and resid 45 and name HD% )
(( segid "B " and resid 82 and name HD12))
ASSI { 107}
( segid "A " and resid 45 and name HD% )
( segid "C " and resid 1900 and name HD1%)
3.500 1.600 1.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.20432E-02 ppm1 7.191 ppm2 0.955 CV 1
ASSI { 109}
( segid "A " and resid 45 and name HD% )
(( segid "A " and resid 85 and name HE1 ))
2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.37087E-02 ppm1 7.193 ppm2 2.179 CV 1
OR { 109}
( segid "A " and resid 45 and name HD% )
(( segid "A " and resid 85 and name HE3 ))
OR { 109}
( segid "A " and resid 45 and name HD% )
(( segid "A " and resid 85 and name HE2 ))
ASSI { 127}
( segid "A " and resid 75 and name HE% )
(( segid "B " and resid 5 and name HD11))
3.400 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 6.718 ppm2 1.079 CV 1
OR { 127}
( segid "A " and resid 75 and name HE% )
(( segid "B " and resid 5 and name HD12))
OR { 127}
( segid "A " and resid 75 and name HE% )
(( segid "B " and resid 5 and name HD13))
ASSI { 130}
( segid "A " and resid 75 and name HE% )
( segid "A " and resid 16 and name HE% )
3.600 1.600 1.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 6.709 ppm2 6.284 CV 1
ASSI { 131}
( segid "B " and resid 93 and name HE% )
( segid "A " and resid 27 and name HE% )
1.500 1.500 4.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.23289E-01 ppm1 7.343 ppm2 7.445 CV 1
ASSI { 133}
( segid "A " and resid 27 and name HE% )
( segid "B " and resid 93 and name HD% )
1.800 1.800 4.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.78404E-02 ppm1 7.418 ppm2 7.317 CV 1
ASSI { 135}
( segid "B " and resid 90 and name HD% )
(( segid "A " and resid 13 and name HG23))
2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.36296E-02 ppm1 6.923 ppm2 0.857 CV 1
OR { 135}
( segid "B " and resid 90 and name HD% )
(( segid "A " and resid 13 and name HG22))
OR { 135}
( segid "B " and resid 90 and name HD% )
(( segid "A " and resid 13 and name HG21))
ASSI { 140}
( segid "B " and resid 72 and name HE% )
( segid "B " and resid 72 and name HD% )
2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.33988E-02 ppm1 7.007 ppm2 6.209 CV 1
ASSI { 141}
( segid "B " and resid 72 and name HE% )
( segid "B " and resid 75 and name HE% )
3.300 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 7.007 ppm2 6.660 CV 1
ASSI { 148}
( segid "B " and resid 45 and name HE% )
( segid "B " and resid 45 and name HD% )
1.700 0.300 0.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.22934E-01 ppm1 7.140 ppm2 7.316 CV 1
ASSI { 162}
( segid "B " and resid 19 and name HD% )
(( segid "B " and resid 36 and name HG3 ))
4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.23337E-02 ppm1 7.413 ppm2 2.420 CV 1
ASSI { 165}
( segid "A " and resid 19 and name HE% )
(( segid "A " and resid 36 and name HG2 ))
2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.27259E-02 ppm1 6.846 ppm2 2.487 CV 1
ASSI { 171}
( segid "B " and resid 19 and name HE% )
(( segid "B " and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.21417E-02 ppm1 6.850 ppm2 1.906 CV 1
ASSI { 175}
( segid "A " and resid 90 and name HD% )
(( segid "B " and resid 13 and name HG23))
2.600 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.43900E-02 ppm1 6.923 ppm2 0.856 CV 1
OR { 175}
( segid "A " and resid 90 and name HD% )
(( segid "B " and resid 13 and name HG22))
OR { 175}
( segid "A " and resid 90 and name HD% )
(( segid "B " and resid 13 and name HG21))
ASSI { 1}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1900 and name HD1%)
2.400 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14047E-01 ppm1 -0.106 ppm2 0.958 CV 1
OR { 1}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1900 and name HD1%)
OR { 1}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1900 and name HD1%)
ASSI { 2}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1900 and name HD2%)
3.000 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.72232E-02 ppm1 -0.107 ppm2 1.090 CV 1
OR { 2}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1900 and name HD2%)
OR { 2}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1900 and name HD2%)
ASSI { 3}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1904 and name HG2%)
3.900 1.900 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.18073E-02 ppm1 -0.111 ppm2 1.486 CV 1
OR { 3}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1904 and name HG2%)
OR { 3}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1904 and name HG2%)
ASSI { 4}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1903 and name HB% )
4.500 2.600 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.29766E-02 ppm1 -0.106 ppm2 1.598 CV 1
OR { 4}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1903 and name HB% )
OR { 4}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1903 and name HB% )
ASSI { 5}
(( segid "A " and resid 82 and name HD12))
(( segid "C " and resid 1900 and name HA ))
4.900 3.000 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.15169E-02 ppm1 -0.114 ppm2 4.197 CV 1
OR { 5}
(( segid "A " and resid 82 and name HD13))
(( segid "C " and resid 1900 and name HA ))
OR { 5}
(( segid "A " and resid 82 and name HD11))
(( segid "C " and resid 1900 and name HA ))
ASSI { 6}
(( segid "A " and resid 82 and name HD12))
(( segid "C " and resid 1900 and name HG ))
4.400 2.500 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.97196E-03 ppm1 -0.109 ppm2 2.155 CV 1
OR { 6}
(( segid "A " and resid 82 and name HD13))
(( segid "C " and resid 1900 and name HG ))
OR { 6}
(( segid "A " and resid 82 and name HD11))
(( segid "C " and resid 1900 and name HG ))
ASSI { 8}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1900 and name HD1%)
3.300 1.400 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.62876E-02 ppm1 0.050 ppm2 0.959 CV 1
OR { 8}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1900 and name HD1%)
OR { 8}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 9}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1900 and name HD2%)
4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.23709E-02 ppm1 0.050 ppm2 1.093 CV 1
OR { 9}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1900 and name HD2%)
OR { 9}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1900 and name HD2%)
ASSI { 10}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1903 and name HB% )
5.000 3.100 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.20982E-02 ppm1 0.052 ppm2 1.592 CV 1
OR { 10}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1903 and name HB% )
OR { 10}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1903 and name HB% )
ASSI { 11}
(( segid "A " and resid 82 and name HG21))
(( segid "C " and resid 1900 and name HA ))
5.700 4.100 0.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.97462E-03 ppm1 0.050 ppm2 4.192 CV 1
OR { 11}
(( segid "A " and resid 82 and name HG22))
(( segid "C " and resid 1900 and name HA ))
OR { 11}
(( segid "A " and resid 82 and name HG23))
(( segid "C " and resid 1900 and name HA ))
ASSI { 12}
(( segid "A " and resid 82 and name HG12))
( segid "C " and resid 1900 and name HD1%)
3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.26308E-02 ppm1 0.323 ppm2 0.960 CV 1
ASSI { 13}
(( segid "A " and resid 82 and name HA ))
( segid "C " and resid 1900 and name HD1%)
4.600 2.700 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 3.501 ppm2 0.958 CV 1
ASSI { 14}
(( segid "A " and resid 82 and name HA ))
( segid "C " and resid 1903 and name HB% )
4.200 2.200 1.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 3.501 ppm2 1.594 CV 1
ASSI { 15}
(( segid "A " and resid 62 and name HD11))
( segid "C " and resid 1904 and name HG2%)
3.000 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13240E-01 ppm1 0.925 ppm2 1.486 CV 1
OR { 15}
(( segid "A " and resid 62 and name HD12))
( segid "C " and resid 1904 and name HG2%)
OR { 15}
(( segid "A " and resid 62 and name HD13))
( segid "C " and resid 1904 and name HG2%)
ASSI { 16}
(( segid "A " and resid 62 and name HD11))
( segid "C " and resid 1907 and name HB% )
3.500 1.500 1.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13325E-01 ppm1 0.925 ppm2 1.645 CV 1
OR { 16}
(( segid "A " and resid 62 and name HD13))
( segid "C " and resid 1907 and name HB% )
OR { 16}
(( segid "A " and resid 62 and name HD12))
( segid "C " and resid 1907 and name HB% )
ASSI { 20}
(( segid "A " and resid 62 and name HD23))
( segid "C " and resid 1907 and name HB% )
3.500 1.500 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19648E-02 ppm1 0.288 ppm2 1.641 CV 1
OR { 20}
(( segid "A " and resid 62 and name HD22))
( segid "C " and resid 1907 and name HB% )
OR { 20}
(( segid "A " and resid 62 and name HD21))
( segid "C " and resid 1907 and name HB% )
ASSI { 21}
(( segid "A " and resid 62 and name HD23))
( segid "C " and resid 1904 and name HG2%)
3.200 1.200 1.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.40244E-02 ppm1 0.288 ppm2 1.486 CV 1
OR { 21}
(( segid "A " and resid 62 and name HD21))
( segid "C " and resid 1904 and name HG2%)
OR { 21}
(( segid "A " and resid 62 and name HD22))
( segid "C " and resid 1904 and name HG2%)
ASSI { 22}
(( segid "A " and resid 62 and name HA ))
( segid "C " and resid 1907 and name HB% )
3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.34001E-02 ppm1 4.334 ppm2 1.647 CV 1
ASSI { 23}
(( segid "A " and resid 38 and name HD12))
( segid "C " and resid 1900 and name HD1%)
3.500 1.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.73074E-02 ppm1 1.004 ppm2 0.961 CV 1
OR { 23}
(( segid "A " and resid 38 and name HD11))
( segid "C " and resid 1900 and name HD1%)
OR { 23}
(( segid "A " and resid 38 and name HD13))
( segid "C " and resid 1900 and name HD1%)
ASSI { 24}
(( segid "A " and resid 38 and name HD12))
( segid "C " and resid 1900 and name HD2%)
3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.16624E-01 ppm1 1.005 ppm2 1.094 CV 1
OR { 24}
(( segid "A " and resid 38 and name HD11))
( segid "C " and resid 1900 and name HD2%)
OR { 24}
(( segid "A " and resid 38 and name HD13))
( segid "C " and resid 1900 and name HD2%)
ASSI { 25}
(( segid "A " and resid 38 and name HD22))
( segid "C " and resid 1900 and name HD1%)
3.200 1.300 1.300 peak 25 spectrum 1 weight 0.10000E+01 volume 0.36036E-02 ppm1 0.929 ppm2 0.954 CV 1
OR { 25}
(( segid "A " and resid 38 and name HD21))
( segid "C " and resid 1900 and name HD1%)
OR { 25}
(( segid "A " and resid 38 and name HD23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 26}
(( segid "A " and resid 38 and name HD22))
( segid "C " and resid 1900 and name HD2%)
2.500 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12407E-01 ppm1 0.929 ppm2 1.091 CV 1
OR { 26}
(( segid "A " and resid 38 and name HD23))
( segid "C " and resid 1900 and name HD2%)
OR { 26}
(( segid "A " and resid 38 and name HD21))
( segid "C " and resid 1900 and name HD2%)
ASSI { 27}
(( segid "A " and resid 38 and name HD12))
(( segid "C " and resid 1900 and name HG ))
4.200 2.200 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.19204E-02 ppm1 1.004 ppm2 2.156 CV 1
OR { 27}
(( segid "A " and resid 38 and name HD11))
(( segid "C " and resid 1900 and name HG ))
OR { 27}
(( segid "A " and resid 38 and name HD13))
(( segid "C " and resid 1900 and name HG ))
ASSI { 28}
(( segid "A " and resid 38 and name HD12))
(( segid "C " and resid 1900 and name HB3 ))
5.200 3.400 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 1.005 ppm2 2.075 CV 1
OR { 28}
(( segid "A " and resid 38 and name HD11))
(( segid "C " and resid 1900 and name HB3 ))
OR { 28}
(( segid "A " and resid 38 and name HD13))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 29}
(( segid "A " and resid 38 and name HD12))
(( segid "C " and resid 1900 and name HB2 ))
5.700 4.000 0.300 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 1.006 ppm2 1.598 CV 1
OR { 29}
(( segid "A " and resid 38 and name HD11))
(( segid "C " and resid 1900 and name HB2 ))
OR { 29}
(( segid "A " and resid 38 and name HD13))
(( segid "C " and resid 1900 and name HB2 ))
OR { 29}
(( segid "A " and resid 38 and name HD12))
( segid "C " and resid 1903 and name HB% )
ASSI { 30}
(( segid "A " and resid 38 and name HD12))
( segid "C " and resid 1904 and name HG2%)
5.300 3.500 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.95866E-03 ppm1 1.006 ppm2 1.491 CV 1
OR { 30}
(( segid "A " and resid 38 and name HD11))
( segid "C " and resid 1904 and name HG2%)
OR { 30}
(( segid "A " and resid 38 and name HD13))
( segid "C " and resid 1904 and name HG2%)
ASSI { 31}
(( segid "A " and resid 38 and name HD22))
(( segid "C " and resid 1900 and name HG ))
3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16052E-02 ppm1 0.929 ppm2 2.151 CV 1
OR { 31}
(( segid "A " and resid 38 and name HD23))
(( segid "C " and resid 1900 and name HG ))
OR { 31}
(( segid "A " and resid 38 and name HD21))
(( segid "C " and resid 1900 and name HG ))
ASSI { 32}
(( segid "A " and resid 38 and name HD22))
(( segid "C " and resid 1900 and name HB3 ))
4.900 3.000 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 0.925 ppm2 2.073 CV 1
OR { 32}
(( segid "A " and resid 38 and name HD23))
(( segid "C " and resid 1900 and name HB3 ))
OR { 32}
(( segid "A " and resid 38 and name HD21))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 34}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1900 and name HD1%)
2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.44257E-02 ppm1 0.865 ppm2 0.967 CV 1
OR { 34}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1900 and name HD1%)
OR { 34}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1900 and name HD1%)
ASSI { 35}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1900 and name HD2%)
3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.83716E-02 ppm1 0.865 ppm2 1.090 CV 1
OR { 35}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1900 and name HD2%)
OR { 35}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1900 and name HD2%)
ASSI { 36}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1904 and name HG2%)
2.100 0.600 0.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.16499E-01 ppm1 0.865 ppm2 1.486 CV 1
OR { 36}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1904 and name HG2%)
OR { 36}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1904 and name HG2%)
ASSI { 37}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HB2 ))
3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.74582E-02 ppm1 0.865 ppm2 1.609 CV 1
OR { 37}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HB2 ))
OR { 37}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HB2 ))
ASSI { 38}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HG ))
2.600 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.38648E-02 ppm1 0.864 ppm2 2.157 CV 1
OR { 38}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HG ))
OR { 38}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HG ))
ASSI { 39}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HB3 ))
2.400 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.61280E-02 ppm1 0.865 ppm2 2.082 CV 1
OR { 39}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HB3 ))
OR { 39}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 40}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1899 and name HG3 ))
5.300 3.500 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16224E-02 ppm1 0.866 ppm2 2.332 CV 1
OR { 40}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1899 and name HG3 ))
OR { 40}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1899 and name HG3 ))
ASSI { 41}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1900 and name HD1%)
3.600 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.47534E-02 ppm1 0.805 ppm2 0.957 CV 1
OR { 41}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1900 and name HD1%)
OR { 41}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 42}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1900 and name HD2%)
2.800 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.12234E-01 ppm1 0.805 ppm2 1.091 CV 1
OR { 42}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1900 and name HD2%)
OR { 42}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1900 and name HD2%)
ASSI { 43}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1904 and name HG2%)
4.500 2.600 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30272E-02 ppm1 0.806 ppm2 1.486 CV 1
OR { 43}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1904 and name HG2%)
OR { 43}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1904 and name HG2%)
ASSI { 44}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1903 and name HB% )
5.100 3.200 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 0.803 ppm2 1.604 CV 1
OR { 44}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1903 and name HB% )
OR { 44}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1903 and name HB% )
ASSI { 45}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HG ))
2.900 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.29044E-02 ppm1 0.805 ppm2 2.155 CV 1
OR { 45}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HG ))
OR { 45}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HG ))
ASSI { 46}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HB3 ))
3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.41446E-02 ppm1 0.804 ppm2 2.078 CV 1
OR { 46}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HB3 ))
OR { 46}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 50}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HA ))
3.700 1.700 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29008E-02 ppm1 0.865 ppm2 4.194 CV 1
OR { 50}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HA ))
OR { 50}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HA ))
ASSI { 52}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1900 and name HA ))
5.000 3.100 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 0.806 ppm2 4.202 CV 1
OR { 52}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1900 and name HA ))
OR { 52}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1900 and name HA ))
ASSI { 56}
(( segid "A " and resid 77 and name HG11))
( segid "C " and resid 1914 and name HG1%)
2.400 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17657E-01 ppm1 0.961 ppm2 1.169 CV 1
OR { 56}
(( segid "A " and resid 77 and name HG12))
( segid "C " and resid 1914 and name HG1%)
OR { 56}
(( segid "A " and resid 77 and name HG13))
( segid "C " and resid 1914 and name HG1%)
ASSI { 58}
(( segid "A " and resid 77 and name HG22))
( segid "C " and resid 1907 and name HB% )
2.200 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19324E-01 ppm1 1.157 ppm2 1.646 CV 1
OR { 58}
(( segid "A " and resid 77 and name HG21))
( segid "C " and resid 1907 and name HB% )
OR { 58}
(( segid "A " and resid 77 and name HG23))
( segid "C " and resid 1907 and name HB% )
ASSI { 59}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG2 ))
3.600 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10833E-01 ppm1 1.155 ppm2 1.999 CV 1
OR { 59}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG2 ))
OR { 59}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG2 ))
OR { 59}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG3 ))
OR { 59}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG3 ))
OR { 59}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 60}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HB2 ))
4.400 2.400 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.78528E-02 ppm1 1.157 ppm2 2.268 CV 1
OR { 60}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HB2 ))
OR { 60}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 61}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HB3 ))
3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.62521E-02 ppm1 1.157 ppm2 2.561 CV 1
OR { 61}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HB3 ))
OR { 61}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 63}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name HA ))
2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.14562E-01 ppm1 1.157 ppm2 3.772 CV 1
OR { 63}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name HA ))
OR { 63}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name HA ))
ASSI { 64}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HA ))
3.900 1.900 1.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.48820E-02 ppm1 1.155 ppm2 4.259 CV 1
OR { 64}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HA ))
OR { 64}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HA ))
ASSI { 65}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1908 and name HA ))
3.400 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 1.152 ppm2 4.458 CV 1
ASSI { 67}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HD22))
4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 1.157 ppm2 7.436 CV 1
OR { 67}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HD22))
OR { 67}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HD22))
ASSI { 68}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name H ))
5.000 3.200 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23997E-02 ppm1 1.154 ppm2 7.691 CV 1
OR { 68}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name H ))
OR { 68}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name H ))
ASSI { 69}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HD21))
2.900 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.32493E-02 ppm1 1.156 ppm2 7.832 CV 1
OR { 69}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HD21))
OR { 69}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HD21))
ASSI { 70}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name H ))
4.500 2.600 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.30498E-02 ppm1 1.157 ppm2 8.142 CV 1
OR { 70}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name H ))
OR { 70}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name H ))
ASSI { 71}
(( segid "A " and resid 77 and name HG12))
( segid "C " and resid 1910 and name HE% )
3.900 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.10265E-01 ppm1 0.961 ppm2 2.003 CV 1
OR { 71}
(( segid "A " and resid 77 and name HG13))
( segid "C " and resid 1910 and name HE% )
OR { 71}
(( segid "A " and resid 77 and name HG11))
( segid "C " and resid 1910 and name HE% )
ASSI { 72}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name HB ))
2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.42696E-02 ppm1 0.963 ppm2 2.164 CV 1
OR { 72}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name HB ))
OR { 72}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name HB ))
ASSI { 73}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HB2 ))
4.200 2.200 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.34560E-02 ppm1 0.961 ppm2 2.268 CV 1
OR { 73}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HB2 ))
OR { 73}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 74}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HB3 ))
4.200 2.200 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.28529E-02 ppm1 0.961 ppm2 2.696 CV 1
OR { 74}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HB3 ))
OR { 74}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HB3 ))
ASSI { 75}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HB3 ))
3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.68108E-02 ppm1 0.962 ppm2 2.557 CV 1
OR { 75}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HB3 ))
OR { 75}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HB3 ))
OR { 75}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 76}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HB2 ))
2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.961 ppm2 3.154 CV 1
OR { 76}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HB2 ))
OR { 76}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HB2 ))
ASSI { 77}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1912 and name HD2 ))
5.500 2.800 3.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19807E-02 ppm1 0.961 ppm2 3.290 CV 1
OR { 77}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1912 and name HD2 ))
ASSI { 78}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1907 and name HA ))
4.100 2.100 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.27527E-02 ppm1 0.961 ppm2 3.774 CV 1
OR { 78}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1907 and name HA ))
OR { 78}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1907 and name HA ))
ASSI { 79}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HA ))
3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.18668E-01 ppm1 0.961 ppm2 4.251 CV 1
OR { 79}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HA ))
OR { 79}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HA ))
ASSI { 80}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD21))
2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.33996E-02 ppm1 0.962 ppm2 7.830 CV 1
OR { 80}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD21))
OR { 80}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD21))
ASSI { 81}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD22))
4.200 2.200 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.21967E-02 ppm1 0.963 ppm2 7.434 CV 1
OR { 81}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD22))
OR { 81}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD22))
ASSI { 82}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name H ))
4.800 2.800 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.14460E-02 ppm1 0.960 ppm2 8.133 CV 1
OR { 82}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name H ))
OR { 82}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name H ))
ASSI { 83}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name H ))
4.600 2.600 1.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 0.963 ppm2 8.811 CV 1
OR { 83}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name H ))
OR { 83}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name H ))
ASSI { 84}
(( segid "B " and resid 77 and name HG11))
( segid "C " and resid 1914 and name HG2%)
4.600 2.600 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.24299E-02 ppm1 1.159 ppm2 0.992 CV 1
OR { 84}
(( segid "B " and resid 77 and name HG12))
( segid "C " and resid 1914 and name HG2%)
OR { 84}
(( segid "B " and resid 77 and name HG13))
( segid "C " and resid 1914 and name HG2%)
ASSI { 86}
(( segid "B " and resid 77 and name HG11))
( segid "C " and resid 1914 and name HG1%)
4.000 2.000 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.14065E-01 ppm1 1.161 ppm2 1.171 CV 1
OR { 86}
(( segid "B " and resid 77 and name HG12))
( segid "C " and resid 1914 and name HG1%)
OR { 86}
(( segid "B " and resid 77 and name HG13))
( segid "C " and resid 1914 and name HG1%)
ASSI { 87}
(( segid "B " and resid 77 and name HG21))
( segid "C " and resid 1914 and name HG1%)
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.34542E-01 ppm1 1.020 ppm2 1.178 CV 1
OR { 87}
(( segid "B " and resid 77 and name HG23))
( segid "C " and resid 1914 and name HG1%)
OR { 87}
(( segid "B " and resid 77 and name HG22))
( segid "C " and resid 1914 and name HG1%)
OR { 87}
(( segid "B " and resid 77 and name HG23))
( segid "C " and resid 1917 and name HD1%)
OR { 87}
(( segid "B " and resid 77 and name HG22))
( segid "C " and resid 1917 and name HD1%)
ASSI { 88}
(( segid "B " and resid 77 and name HG12))
( segid "C " and resid 1910 and name HE% )
3.000 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.23053E-01 ppm1 1.161 ppm2 2.010 CV 1
OR { 88}
(( segid "B " and resid 77 and name HG13))
( segid "C " and resid 1910 and name HE% )
OR { 88}
(( segid "B " and resid 77 and name HG11))
( segid "C " and resid 1910 and name HE% )
OR { 88}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HG3 ))
OR { 88}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 89}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HB2 ))
3.300 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.79238E-02 ppm1 1.161 ppm2 2.318 CV 1
OR { 89}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HB2 ))
OR { 89}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HB2 ))
OR { 89}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HB3 ))
OR { 89}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 90}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HG2 ))
4.700 2.800 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.29806E-02 ppm1 1.161 ppm2 2.509 CV 1
OR { 90}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG2 ))
OR { 90}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HG2 ))
ASSI { 91}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HG3 ))
3.200 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.96620E-02 ppm1 1.161 ppm2 2.560 CV 1
OR { 91}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG3 ))
OR { 91}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 92}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name HA ))
4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.35234E-02 ppm1 1.162 ppm2 3.601 CV 1
OR { 92}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name HA ))
OR { 92}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name HA ))
ASSI { 93}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HA ))
3.900 1.900 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.65669E-02 ppm1 1.161 ppm2 4.255 CV 1
OR { 93}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1917 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1917 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1917 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HA ))
OR { 93}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HA ))
ASSI { 94}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1917 and name HB2 ))
3.200 1.300 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.44607E-02 ppm1 1.023 ppm2 1.638 CV 1
OR { 94}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1917 and name HB2 ))
OR { 94}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1917 and name HB2 ))
ASSI { 95}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1920 and name HG3 ))
2.900 2.900 3.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 1.024 ppm2 1.840 CV 1
OR { 95}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1922 and name HG2 ))
OR { 95}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1922 and name HG2 ))
OR { 95}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1920 and name HG3 ))
OR { 95}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1922 and name HG2 ))
ASSI { 96}
(( segid "B " and resid 77 and name HG21))
( segid "C " and resid 1910 and name HE% )
2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.57289E-02 ppm1 1.020 ppm2 2.003 CV 1
OR { 96}
(( segid "B " and resid 77 and name HG22))
( segid "C " and resid 1910 and name HE% )
OR { 96}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG3 ))
OR { 96}
(( segid "B " and resid 77 and name HG23))
( segid "C " and resid 1910 and name HE% )
OR { 96}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG3 ))
OR { 96}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG3 ))
OR { 96}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 97}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name HB ))
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 1.019 ppm2 2.171 CV 1
OR { 97}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name HB ))
OR { 97}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name HB ))
ASSI { 98}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HB2 ))
3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.60437E-02 ppm1 1.021 ppm2 2.314 CV 1
OR { 98}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HB3 ))
OR { 98}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 99}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HG2 ))
4.000 2.000 2.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 1.024 ppm2 2.509 CV 1
OR { 99}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HG2 ))
ASSI { 100}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HG3 ))
1.900 0.500 0.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.75646E-02 ppm1 1.020 ppm2 2.561 CV 1
OR { 100}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HG3 ))
OR { 100}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 101}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name HA ))
1.800 0.400 0.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.22428E-01 ppm1 1.020 ppm2 3.601 CV 1
OR { 101}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name HA ))
OR { 101}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name HA ))
ASSI { 102}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HA ))
3.400 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.65270E-02 ppm1 1.022 ppm2 4.251 CV 1
OR { 102}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HA ))
OR { 102}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HA ))
OR { 102}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HA ))
OR { 102}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HA ))
OR { 102}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HA ))
ASSI { 103}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name H ))
5.000 3.200 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.20455E-02 ppm1 1.159 ppm2 8.807 CV 1
OR { 103}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name H ))
OR { 103}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name H ))
ASSI { 104}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name H ))
3.400 1.500 1.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.30312E-02 ppm1 1.020 ppm2 8.814 CV 1
OR { 104}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name H ))
OR { 104}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name H ))
ASSI { 105}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1917 and name H ))
4.100 2.100 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.24933E-02 ppm1 1.021 ppm2 8.140 CV 1
OR { 105}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1917 and name H ))
OR { 105}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1917 and name H ))
ASSI { 106}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name H ))
4.500 2.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.18486E-02 ppm1 1.021 ppm2 7.821 CV 1
ASSI { 107}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD1%)
2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16535E-01 ppm1 0.557 ppm2 1.187 CV 1
OR { 107}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD1%)
OR { 107}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD1%)
ASSI { 108}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD2%)
2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.12886E-01 ppm1 0.557 ppm2 1.018 CV 1
OR { 108}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD2%)
OR { 108}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD2%)
ASSI { 109}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1921 and name HD2%)
3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.82519E-02 ppm1 0.555 ppm2 0.899 CV 1
OR { 109}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1921 and name HD2%)
OR { 109}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1921 and name HD2%)
ASSI { 110}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1917 and name HB3 ))
5.000 3.100 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15599E-02 ppm1 0.554 ppm2 1.987 CV 1
OR { 110}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1917 and name HB3 ))
OR { 110}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1917 and name HB3 ))
ASSI { 111}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1918 and name HD3 ))
3.200 1.300 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.22840E-02 ppm1 0.558 ppm2 1.834 CV 1
OR { 111}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1918 and name HD3 ))
OR { 111}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1918 and name HD3 ))
OR { 111}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1920 and name HG3 ))
OR { 111}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1920 and name HG3 ))
OR { 111}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1920 and name HG3 ))
ASSI { 112}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1917 and name HB2 ))
5.200 3.400 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 0.559 ppm2 1.638 CV 1
OR { 112}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1917 and name HB2 ))
OR { 112}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1917 and name HB2 ))
ASSI { 113}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1917 and name HA ))
4.500 2.600 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31092E-02 ppm1 0.557 ppm2 4.262 CV 1
OR { 113}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1917 and name HA ))
OR { 113}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1917 and name HA ))
ASSI { 114}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD1%)
4.000 2.000 2.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.38918E-02 ppm1 0.415 ppm2 1.187 CV 1
OR { 114}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD1%)
OR { 114}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD1%)
ASSI { 115}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD2%)
3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.48022E-02 ppm1 0.415 ppm2 1.019 CV 1
OR { 115}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD2%)
OR { 115}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD2%)
ASSI { 116}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1921 and name HD2%)
3.000 1.100 1.100 peak 116 spectrum 1 weight 0.10000E+01 volume 0.44226E-02 ppm1 0.413 ppm2 0.895 CV 1
OR { 116}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1921 and name HD2%)
OR { 116}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1921 and name HD2%)
ASSI { 117}
(( segid "B " and resid 62 and name HD23))
(( segid "C " and resid 1917 and name HA ))
4.700 2.800 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.15475E-02 ppm1 0.415 ppm2 4.264 CV 1
OR { 117}
(( segid "B " and resid 62 and name HD21))
(( segid "C " and resid 1917 and name HA ))
OR { 117}
(( segid "B " and resid 62 and name HD22))
(( segid "C " and resid 1917 and name HA ))
ASSI { 118}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1921 and name HD1%)
3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.78927E-02 ppm1 0.555 ppm2 0.933 CV 1
OR { 118}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1921 and name HD1%)
OR { 118}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1921 and name HD1%)
ASSI { 119}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1921 and name HD1%)
3.600 1.700 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35371E-02 ppm1 0.413 ppm2 0.927 CV 1
OR { 119}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1921 and name HD1%)
OR { 119}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1921 and name HD1%)
ASSI { 120}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1926 and name HD2%)
2.300 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14766E-01 ppm1 0.901 ppm2 0.886 CV 1
OR { 120}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1926 and name HD2%)
OR { 120}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1926 and name HD2%)
OR { 120}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1921 and name HD2%)
OR { 120}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1921 and name HD2%)
ASSI { 121}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1926 and name HD1%)
2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12424E-01 ppm1 0.901 ppm2 0.933 CV 1
OR { 121}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1926 and name HD1%)
OR { 121}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1926 and name HD1%)
ASSI { 122}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1929 and name HG2%)
2.700 2.700 3.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.24756E-02 ppm1 0.901 ppm2 0.781 CV 1
OR { 122}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1929 and name HG2%)
OR { 122}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1929 and name HG2%)
ASSI { 123}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1917 and name HD2%)
4.200 2.200 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.30188E-02 ppm1 0.901 ppm2 1.024 CV 1
OR { 123}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1917 and name HD2%)
OR { 123}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1917 and name HD2%)
ASSI { 124}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HG2 ))
3.400 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.26849E-02 ppm1 0.901 ppm2 1.352 CV 1
OR { 124}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HG2 ))
OR { 124}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 125}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1926 and name HD1%)
2.700 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 0.826 ppm2 0.948 CV 1
OR { 125}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1926 and name HD1%)
OR { 125}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1926 and name HD1%)
ASSI { 126}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1926 and name HD2%)
4.700 2.700 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.23310E-02 ppm1 0.828 ppm2 0.872 CV 1
OR { 126}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1926 and name HD2%)
OR { 126}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1926 and name HD2%)
ASSI { 127}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HG2 ))
3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.21350E-02 ppm1 0.828 ppm2 1.351 CV 1
OR { 127}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HG2 ))
OR { 127}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 128}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1926 and name HG ))
4.800 2.900 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 0.901 ppm2 1.692 CV 1
OR { 128}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1926 and name HG ))
OR { 128}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1926 and name HG ))
OR { 128}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 129}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HG3 ))
4.000 2.000 2.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 0.826 ppm2 1.613 CV 1
OR { 129}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HG3 ))
OR { 129}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HG3 ))
ASSI { 130}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1926 and name HB2 ))
4.000 2.000 2.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.19590E-02 ppm1 0.900 ppm2 1.849 CV 1
OR { 130}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1926 and name HB2 ))
OR { 130}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1926 and name HB2 ))
ASSI { 131}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1921 and name HA ))
5.000 3.100 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 0.901 ppm2 4.253 CV 1
OR { 131}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1921 and name HA ))
OR { 131}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1921 and name HA ))
ASSI { 133}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HD3 ))
4.900 3.000 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.13617E-02 ppm1 0.901 ppm2 3.699 CV 1
OR { 133}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HD3 ))
OR { 133}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 134}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HD2 ))
3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.17714E-02 ppm1 0.904 ppm2 3.247 CV 1
OR { 134}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HD2 ))
OR { 134}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 135}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1928 and name HB2 ))
3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 0.900 ppm2 3.095 CV 1
OR { 135}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1928 and name HB2 ))
OR { 135}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1928 and name HB2 ))
ASSI { 136}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HD3 ))
4.600 2.600 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 0.825 ppm2 3.710 CV 1
OR { 136}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 137}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1927 and name HD2 ))
4.200 2.200 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 0.829 ppm2 3.250 CV 1
OR { 137}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1927 and name HD2 ))
OR { 137}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 138}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1928 and name HB2 ))
3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.92806E-03 ppm1 0.826 ppm2 3.085 CV 1
OR { 138}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HB2 ))
OR { 138}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1928 and name HB2 ))
ASSI { 139}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1928 and name HE% )
2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10491E-01 ppm1 0.901 ppm2 7.290 CV 1
OR { 139}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1928 and name HE% )
OR { 139}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 139}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 139}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HD% )
ASSI { 140}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
3.200 1.300 1.300 peak 140 spectrum 1 weight 0.10000E+01 volume 0.52234E-02 ppm1 0.901 ppm2 7.205 CV 1
OR { 140}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 140}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 141}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1928 and name HD% )
2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.59949E-02 ppm1 0.831 ppm2 7.292 CV 1
OR { 141}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1928 and name HD% )
OR { 141}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1928 and name HD% )
OR { 141}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 141}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1928 and name HE% )
ASSI { 142}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
4.000 2.000 2.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.42395E-02 ppm1 0.830 ppm2 7.206 CV 1
OR { 142}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
OR { 142}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 143}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1917 and name HD1%)
5.200 3.400 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12447E-02 ppm1 0.902 ppm2 1.182 CV 1
OR { 143}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1917 and name HD1%)
OR { 143}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1917 and name HD1%)
ASSI { 144}
(( segid "B " and resid 46 and name HD12))
( segid "C " and resid 1928 and name HD% )
4.400 2.400 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.51081E-02 ppm1 1.066 ppm2 7.291 CV 1
OR { 144}
(( segid "B " and resid 46 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 144}
(( segid "B " and resid 46 and name HD11))
( segid "C " and resid 1928 and name HD% )
ASSI { 145}
(( segid "B " and resid 46 and name HD22))
( segid "C " and resid 1928 and name HD% )
3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17772E-01 ppm1 0.960 ppm2 7.294 CV 1
OR { 145}
(( segid "B " and resid 46 and name HD21))
( segid "C " and resid 1928 and name HD% )
OR { 145}
(( segid "B " and resid 46 and name HD23))
( segid "C " and resid 1928 and name HD% )
ASSI { 146}
(( segid "B " and resid 46 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
4.000 2.000 2.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.27727E-02 ppm1 0.961 ppm2 7.207 CV 1
OR { 146}
(( segid "B " and resid 46 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 147}
(( segid "B " and resid 46 and name HD22))
(( segid "C " and resid 1928 and name HA ))
4.100 2.100 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.30223E-02 ppm1 0.959 ppm2 5.319 CV 1
OR { 147}
(( segid "B " and resid 46 and name HD21))
(( segid "C " and resid 1928 and name HA ))
OR { 147}
(( segid "B " and resid 46 and name HD23))
(( segid "C " and resid 1928 and name HA ))
ASSI { 148}
(( segid "B " and resid 46 and name HD21))
(( segid "C " and resid 1927 and name HG2 ))
4.300 2.300 1.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 0.962 ppm2 1.366 CV 1
OR { 148}
(( segid "B " and resid 46 and name HD22))
(( segid "C " and resid 1927 and name HG2 ))
OR { 148}
(( segid "B " and resid 46 and name HD23))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 149}
(( segid "B " and resid 46 and name HD22))
( segid "C " and resid 1929 and name HG2%)
4.000 2.000 2.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.34027E-02 ppm1 0.959 ppm2 0.785 CV 1
ASSI { 151}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1929 and name HG1%)
4.900 3.000 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22987E-02 ppm1 1.040 ppm2 0.887 CV 1
OR { 151}
(( segid "B " and resid 38 and name HD23))
( segid "C " and resid 1929 and name HG1%)
OR { 151}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1929 and name HG1%)
ASSI { 152}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1927 and name HB2 ))
5.100 3.300 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 1.039 ppm2 1.894 CV 1
OR { 152}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1927 and name HB2 ))
OR { 152}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1927 and name HB2 ))
OR { 152}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1927 and name HB3 ))
OR { 152}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 154}
(( segid "B " and resid 38 and name HD12))
( segid "C " and resid 1928 and name HD% )
2.600 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.82829E-02 ppm1 1.040 ppm2 7.292 CV 1
OR { 154}
(( segid "B " and resid 38 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 154}
(( segid "B " and resid 38 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 154}
(( segid "B " and resid 38 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 154}
(( segid "B " and resid 38 and name HD11))
( segid "C " and resid 1928 and name HE% )
ASSI { 155}
(( segid "B " and resid 38 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
3.600 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.43175E-02 ppm1 1.039 ppm2 7.205 CV 1
OR { 155}
(( segid "B " and resid 38 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 155}
(( segid "B " and resid 38 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 156}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1928 and name HD% )
2.800 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.78129E-02 ppm1 1.039 ppm2 7.290 CV 1
OR { 156}
(( segid "B " and resid 38 and name HD23))
( segid "C " and resid 1928 and name HD% )
OR { 156}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1928 and name HD% )
OR { 156}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1928 and name HE% )
OR { 156}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1928 and name HE% )
ASSI { 157}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
3.400 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.42186E-02 ppm1 1.040 ppm2 7.207 CV 1
OR { 157}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
OR { 157}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 158}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1929 and name HG2%)
5.400 3.600 0.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.12602E-02 ppm1 1.036 ppm2 0.784 CV 1
OR { 158}
(( segid "B " and resid 38 and name HD23))
( segid "C " and resid 1929 and name HG2%)
OR { 158}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1929 and name HG2%)
ASSI { 159}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1930 and name HG2%)
4.700 2.800 1.300 peak 159 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 -0.163 ppm2 1.022 CV 1
OR { 159}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1930 and name HG2%)
OR { 159}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1930 and name HG2%)
ASSI { 160}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1929 and name HG1%)
4.300 2.300 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.45184E-02 ppm1 -0.163 ppm2 0.888 CV 1
OR { 160}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1929 and name HG1%)
OR { 160}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1929 and name HG1%)
ASSI { 161}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1929 and name HG2%)
2.900 2.900 3.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 -0.167 ppm2 0.789 CV 1
OR { 161}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1929 and name HG2%)
ASSI { 162}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1929 and name HG1%)
5.000 3.100 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.17887E-02 ppm1 0.255 ppm2 0.895 CV 1
OR { 162}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1929 and name HG1%)
OR { 162}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1929 and name HG1%)
ASSI { 163}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1926 and name HD1%)
4.800 2.900 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.16597E-02 ppm1 0.255 ppm2 0.935 CV 1
OR { 163}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1926 and name HD1%)
OR { 163}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1926 and name HD1%)
ASSI { 164}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1930 and name HG2%)
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.24601E-02 ppm1 0.255 ppm2 1.025 CV 1
OR { 164}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1930 and name HG2%)
OR { 164}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1930 and name HG2%)
ASSI { 166}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1928 and name HE% )
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.76311E-02 ppm1 -0.163 ppm2 7.293 CV 1
OR { 166}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 166}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 166}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1928 and name HD% )
ASSI { 167}
(( segid "B " and resid 82 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
3.000 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.23004E-02 ppm1 -0.163 ppm2 7.203 CV 1
OR { 167}
(( segid "B " and resid 82 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 167}
(( segid "B " and resid 82 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 168}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1928 and name HE% )
3.700 1.700 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 0.253 ppm2 7.288 CV 1
OR { 168}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1928 and name HE% )
OR { 168}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1928 and name HE% )
OR { 168}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1928 and name HD% )
ASSI { 169}
(( segid "B " and resid 82 and name HG21))
(( segid "C " and resid 1928 and name HZ ))
5.000 3.100 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18136E-02 ppm1 0.258 ppm2 7.204 CV 1
OR { 169}
(( segid "B " and resid 82 and name HG23))
(( segid "C " and resid 1928 and name HZ ))
OR { 169}
(( segid "B " and resid 82 and name HG22))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 172}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1926 and name HD1%)
5.000 3.100 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.96531E-03 ppm1 -0.163 ppm2 0.939 CV 1
OR { 172}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1926 and name HD1%)
OR { 172}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1926 and name HD1%)
ASSI { 173}
(( segid "A " and resid 85 and name HG2 ))
( segid "C " and resid 1903 and name HB% )
3.400 1.500 1.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.27421E-02 ppm1 2.738 ppm2 1.597 CV 1
ASSI { 174}
(( segid "A " and resid 85 and name HG3 ))
( segid "C " and resid 1903 and name HB% )
3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.19116E-02 ppm1 2.486 ppm2 1.596 CV 1
ASSI { 175}
(( segid "A " and resid 85 and name HA ))
( segid "C " and resid 1903 and name HB% )
5.100 3.200 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 4.292 ppm2 1.592 CV 1
ASSI { 176}
(( segid "A " and resid 85 and name HB2 ))
( segid "C " and resid 1903 and name HB% )
3.800 1.800 1.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 2.577 ppm2 1.598 CV 1
ASSI { 177}
(( segid "A " and resid 85 and name HB3 ))
( segid "C " and resid 1903 and name HB% )
2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 2.267 ppm2 1.597 CV 1
ASSI { 178}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1900 and name HD1%)
2.100 0.500 0.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.31283E-01 ppm1 2.187 ppm2 0.958 CV 1
OR { 178}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1900 and name HD1%)
OR { 178}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1900 and name HD1%)
ASSI { 179}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1900 and name HD2%)
2.900 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.90323E-02 ppm1 2.186 ppm2 1.091 CV 1
OR { 179}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1900 and name HD2%)
OR { 179}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1900 and name HD2%)
ASSI { 180}
(( segid "A " and resid 85 and name HE2 ))
( segid "C " and resid 1903 and name HB% )
2.000 0.500 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.25625E-01 ppm1 2.187 ppm2 1.598 CV 1
OR { 180}
(( segid "A " and resid 85 and name HE1 ))
( segid "C " and resid 1903 and name HB% )
OR { 180}
(( segid "A " and resid 85 and name HE3 ))
( segid "C " and resid 1903 and name HB% )
ASSI { 181}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1898 and name HG2 ))
2.800 2.800 3.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19732E-02 ppm1 2.186 ppm2 1.762 CV 1
OR { 181}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1898 and name HG2 ))
OR { 181}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1898 and name HG3 ))
OR { 181}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1898 and name HG3 ))
OR { 181}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1898 and name HG2 ))
ASSI { 183}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1899 and name HG3 ))
2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.46470E-02 ppm1 2.186 ppm2 2.333 CV 1
OR { 183}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1899 and name HG3 ))
OR { 183}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1899 and name HG3 ))
ASSI { 184}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1899 and name HG2 ))
3.400 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.89791E-02 ppm1 2.186 ppm2 2.501 CV 1
OR { 184}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1899 and name HG2 ))
OR { 184}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1899 and name HG2 ))
ASSI { 185}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1899 and name HB3 ))
2.600 0.800 0.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.32511E-02 ppm1 2.186 ppm2 1.936 CV 1
OR { 185}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1899 and name HB3 ))
OR { 185}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1899 and name HB3 ))
ASSI { 186}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1900 and name HA ))
3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.76223E-02 ppm1 2.186 ppm2 4.196 CV 1
OR { 186}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1900 and name HA ))
OR { 186}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1900 and name HA ))
ASSI { 187}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1903 and name HA ))
3.600 1.600 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.73961E-02 ppm1 2.187 ppm2 4.346 CV 1
OR { 187}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1903 and name HA ))
ASSI { 190}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1899 and name H ))
2.900 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 2.185 ppm2 8.724 CV 1
OR { 190}
(( segid "A " and resid 85 and name HE3 ))
(( segid "C " and resid 1899 and name H ))
OR { 190}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1899 and name H ))
ASSI { 192}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1903 and name H ))
4.100 2.100 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26795E-02 ppm1 2.187 ppm2 8.141 CV 1
ASSI { 193}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1929 and name HG2%)
2.500 2.500 3.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.39246E-02 ppm1 2.098 ppm2 0.784 CV 1
OR { 193}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1929 and name HG2%)
ASSI { 194}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1929 and name HG1%)
2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.18934E-01 ppm1 2.098 ppm2 0.887 CV 1
OR { 194}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1929 and name HG1%)
ASSI { 195}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1930 and name HG2%)
2.300 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.22463E-01 ppm1 2.098 ppm2 1.027 CV 1
OR { 195}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1930 and name HG2%)
OR { 195}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1930 and name HG2%)
ASSI { 196}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1921 and name HD1%)
2.200 0.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31425E-01 ppm1 2.098 ppm2 0.935 CV 1
OR { 196}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1921 and name HD1%)
OR { 196}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 197}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1918 and name HG2 ))
3.100 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 2.098 ppm2 1.548 CV 1
ASSI { 198}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1922 and name HG2 ))
3.000 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.52544E-02 ppm1 2.098 ppm2 1.829 CV 1
OR { 198}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name HG2 ))
ASSI { 199}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name HB3 ))
2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.76932E-02 ppm1 2.098 ppm2 1.688 CV 1
OR { 199}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name HB3 ))
OR { 199}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 200}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1930 and name HB ))
3.300 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.69882E-02 ppm1 2.099 ppm2 1.926 CV 1
OR { 200}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1930 and name HB ))
OR { 200}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1930 and name HB ))
ASSI { 201}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name HB2 ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.64073E-02 ppm1 2.100 ppm2 1.978 CV 1
OR { 201}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name HB3 ))
OR { 201}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name HB2 ))
OR { 201}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name HB3 ))
OR { 201}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1921 and name HB2 ))
OR { 201}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 207}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HB3 ))
2.500 2.500 3.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.42829E-02 ppm1 2.098 ppm2 3.032 CV 1
OR { 207}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HB3 ))
ASSI { 208}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HB2 ))
2.600 2.600 3.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.34373E-02 ppm1 2.100 ppm2 3.089 CV 1
OR { 208}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HB2 ))
ASSI { 209}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1922 and name HD2 ))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.55693E-02 ppm1 2.098 ppm2 3.322 CV 1
OR { 209}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1922 and name HD3 ))
OR { 209}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name HD2 ))
OR { 209}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1922 and name HD3 ))
ASSI { 211}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1918 and name HA ))
2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.42381E-02 ppm1 2.098 ppm2 3.915 CV 1
ASSI { 212}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1929 and name HA ))
2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.69128E-02 ppm1 2.098 ppm2 4.412 CV 1
OR { 212}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1929 and name HA ))
OR { 212}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1929 and name HA ))
ASSI { 213}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1930 and name HA ))
3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.59329E-02 ppm1 2.098 ppm2 4.323 CV 1
OR { 213}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1930 and name HA ))
OR { 213}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1930 and name HA ))
ASSI { 214}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name HA ))
3.700 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.34458E-02 ppm1 2.098 ppm2 4.249 CV 1
OR { 214}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name HA ))
ASSI { 216}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HZ ))
3.800 1.800 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.44386E-02 ppm1 2.099 ppm2 7.205 CV 1
OR { 216}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1928 and name HZ ))
OR { 216}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 217}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1928 and name HE% )
2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.13165E-01 ppm1 2.098 ppm2 7.295 CV 1
OR { 217}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1928 and name HE% )
OR { 217}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1928 and name HE% )
OR { 217}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1928 and name HD% )
OR { 217}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1928 and name HD% )
ASSI { 218}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1922 and name H ))
3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.18167E-02 ppm1 2.098 ppm2 7.684 CV 1
ASSI { 219}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1930 and name H ))
3.200 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.36147E-02 ppm1 2.099 ppm2 8.006 CV 1
OR { 219}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1930 and name H ))
OR { 219}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1930 and name H ))
ASSI { 220}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1921 and name H ))
2.800 2.800 3.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.18991E-02 ppm1 2.099 ppm2 8.311 CV 1
OR { 220}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1921 and name H ))
ASSI { 221}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1929 and name H ))
4.500 2.600 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 2.101 ppm2 8.582 CV 1
OR { 221}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1929 and name H ))
ASSI { 222}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name H ))
4.800 2.800 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 2.225 ppm2 8.153 CV 1
OR { 222}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name H ))
OR { 222}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name H ))
ASSI { 224}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1906 and name HB ))
3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.39685E-02 ppm1 2.224 ppm2 4.596 CV 1
OR { 224}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1906 and name HB ))
OR { 224}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1906 and name HB ))
ASSI { 225}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1903 and name HA ))
4.000 2.000 2.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12216E-02 ppm1 2.223 ppm2 4.338 CV 1
OR { 225}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1903 and name HA ))
ASSI { 226}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name HA ))
4.500 2.600 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 2.222 ppm2 4.258 CV 1
OR { 226}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name HA ))
OR { 226}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name HA ))
ASSI { 227}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1907 and name HA ))
2.900 2.900 3.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.15085E-02 ppm1 2.224 ppm2 3.776 CV 1
OR { 227}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1907 and name HA ))
ASSI { 230}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name HB3 ))
2.900 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.21692E-01 ppm1 2.223 ppm2 2.558 CV 1
OR { 230}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name HB3 ))
OR { 230}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 231}
(( segid "A " and resid 84 and name HE3 ))
( segid "C " and resid 1906 and name HG2%)
2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.17533E-01 ppm1 2.223 ppm2 1.303 CV 1
OR { 231}
(( segid "A " and resid 84 and name HE2 ))
( segid "C " and resid 1906 and name HG2%)
OR { 231}
(( segid "A " and resid 84 and name HE1 ))
( segid "C " and resid 1906 and name HG2%)
ASSI { 232}
(( segid "A " and resid 84 and name HE3 ))
( segid "C " and resid 1909 and name HB% )
4.300 2.300 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 2.222 ppm2 1.587 CV 1
OR { 232}
(( segid "A " and resid 84 and name HE1 ))
( segid "C " and resid 1909 and name HB% )
OR { 232}
(( segid "A " and resid 84 and name HE2 ))
( segid "C " and resid 1909 and name HB% )
ASSI { 233}
(( segid "A " and resid 84 and name HE3 ))
( segid "C " and resid 1910 and name HE% )
1.900 0.400 0.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.50194E-01 ppm1 2.223 ppm2 2.010 CV 1
OR { 233}
(( segid "A " and resid 84 and name HE1 ))
( segid "C " and resid 1910 and name HE% )
OR { 233}
(( segid "A " and resid 84 and name HE2 ))
( segid "C " and resid 1910 and name HE% )
ASSI { 237}
(( segid "B " and resid 84 and name HE3 ))
( segid "C " and resid 1914 and name HG2%)
1.600 0.300 0.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.52101E-01 ppm1 2.144 ppm2 0.986 CV 1
OR { 237}
(( segid "B " and resid 84 and name HE1 ))
( segid "C " and resid 1914 and name HG2%)
OR { 237}
(( segid "B " and resid 84 and name HE2 ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 238}
(( segid "B " and resid 84 and name HE3 ))
( segid "C " and resid 1914 and name HG1%)
2.200 0.600 0.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.83362E-02 ppm1 2.144 ppm2 1.171 CV 1
OR { 238}
(( segid "B " and resid 84 and name HE1 ))
( segid "C " and resid 1914 and name HG1%)
OR { 238}
(( segid "B " and resid 84 and name HE2 ))
( segid "C " and resid 1914 and name HG1%)
ASSI { 239}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HG3 ))
2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.16318E-01 ppm1 2.144 ppm2 1.542 CV 1
OR { 239}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HG2 ))
OR { 239}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HG3 ))
OR { 239}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HG2 ))
ASSI { 240}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HD2 ))
2.100 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15759E-01 ppm1 2.144 ppm2 1.674 CV 1
OR { 240}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HD2 ))
OR { 240}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HD2 ))
ASSI { 241}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HD3 ))
2.300 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.20619E-01 ppm1 2.144 ppm2 1.781 CV 1
OR { 241}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HD3 ))
OR { 241}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HD3 ))
ASSI { 242}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HB3 ))
1.900 0.500 0.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.14828E-01 ppm1 2.144 ppm2 2.084 CV 1
OR { 242}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HB3 ))
OR { 242}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HB2 ))
OR { 242}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HB2 ))
OR { 242}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1918 and name HB3 ))
ASSI { 245}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1913 and name HG3 ))
2.400 2.400 3.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.44519E-02 ppm1 2.145 ppm2 2.561 CV 1
OR { 245}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1913 and name HG3 ))
OR { 245}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 248}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1914 and name HA ))
3.300 1.400 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.29859E-02 ppm1 2.144 ppm2 3.598 CV 1
OR { 248}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1914 and name HA ))
OR { 248}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1914 and name HA ))
ASSI { 249}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1918 and name HA ))
3.700 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.54717E-02 ppm1 2.144 ppm2 3.915 CV 1
OR { 249}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1918 and name HA ))
ASSI { 250}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1915 and name HB2 ))
3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.69394E-02 ppm1 2.144 ppm2 4.097 CV 1
OR { 250}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1915 and name HB2 ))
OR { 250}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1915 and name HB2 ))
ASSI { 251}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1911 and name HA ))
3.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.26148E-02 ppm1 2.145 ppm2 4.255 CV 1
OR { 251}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1921 and name HA ))
OR { 251}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1921 and name HA ))
OR { 251}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1911 and name HA ))
OR { 251}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1911 and name HA ))
ASSI { 253}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1916 and name H ))
4.600 2.600 1.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.12008E-02 ppm1 2.145 ppm2 7.842 CV 1
OR { 253}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1916 and name H ))
OR { 253}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1916 and name H ))
ASSI { 254}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1919 and name H ))
4.200 2.200 1.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.13387E-02 ppm1 2.145 ppm2 7.486 CV 1
ASSI { 255}
(( segid "B " and resid 84 and name HE3 ))
(( segid "C " and resid 1915 and name H ))
4.200 2.200 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.17054E-02 ppm1 2.142 ppm2 8.442 CV 1
OR { 255}
(( segid "B " and resid 84 and name HE2 ))
(( segid "C " and resid 1915 and name H ))
OR { 255}
(( segid "B " and resid 84 and name HE1 ))
(( segid "C " and resid 1915 and name H ))
ASSI { 256}
(( segid "A " and resid 83 and name HB3 ))
( segid "C " and resid 1910 and name HE% )
4.400 2.400 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.25026E-02 ppm1 1.746 ppm2 2.025 CV 1
OR { 256}
(( segid "A " and resid 83 and name HB2 ))
( segid "C " and resid 1910 and name HE% )
OR { 256}
(( segid "A " and resid 83 and name HB1 ))
( segid "C " and resid 1910 and name HE% )
ASSI { 259}
(( segid "A " and resid 81 and name HB2 ))
( segid "C " and resid 1904 and name HG2%)
3.600 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.22313E-02 ppm1 3.309 ppm2 1.485 CV 1
ASSI { 260}
(( segid "A " and resid 81 and name HB3 ))
( segid "C " and resid 1904 and name HG2%)
3.700 1.800 1.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 2.789 ppm2 1.489 CV 1
ASSI { 261}
(( segid "A " and resid 81 and name HA ))
( segid "C " and resid 1910 and name HE% )
3.900 1.900 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.15963E-02 ppm1 4.240 ppm2 2.012 CV 1
OR { 261}
(( segid "A " and resid 81 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 262}
(( segid "A " and resid 81 and name HA ))
(( segid "A " and resid 81 and name HG ))
2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36945E-02 ppm1 4.238 ppm2 2.902 CV 1
ASSI { 263}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HG ))
2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.31247E-02 ppm1 3.312 ppm2 2.902 CV 1
ASSI { 264}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 81 and name HG ))
3.300 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.38045E-02 ppm1 2.781 ppm2 2.902 CV 1
ASSI { 265}
(( segid "A " and resid 81 and name HB3 ))
( segid "C " and resid 1903 and name HB% )
4.400 2.400 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.99546E-03 ppm1 2.778 ppm2 1.598 CV 1
OR { 265}
(( segid "A " and resid 81 and name HB3 ))
( segid "C " and resid 1909 and name HB% )
ASSI { 266}
(( segid "B " and resid 81 and name HB2 ))
( segid "C " and resid 1921 and name HD1%)
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.25381E-02 ppm1 3.164 ppm2 0.928 CV 1
ASSI { 267}
(( segid "B " and resid 81 and name HB2 ))
( segid "C " and resid 1917 and name HD1%)
4.600 2.600 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.14845E-02 ppm1 3.160 ppm2 1.179 CV 1
OR { 267}
(( segid "B " and resid 81 and name HB2 ))
( segid "C " and resid 1914 and name HG1%)
ASSI { 268}
(( segid "B " and resid 81 and name HA ))
(( segid "B " and resid 81 and name HG ))
3.300 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17475E-02 ppm1 4.379 ppm2 2.560 CV 1
ASSI { 269}
(( segid "B " and resid 81 and name HB2 ))
(( segid "B " and resid 81 and name HG ))
2.900 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.31367E-02 ppm1 3.163 ppm2 2.558 CV 1
ASSI { 271}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1921 and name HD1%)
2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.30325E-02 ppm1 2.566 ppm2 0.931 CV 1
OR { 271}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 272}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1917 and name HD1%)
4.400 2.400 1.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.18020E-02 ppm1 2.567 ppm2 1.188 CV 1
OR { 272}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1914 and name HG1%)
OR { 272}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 273}
(( segid "B " and resid 81 and name HA ))
( segid "C " and resid 1914 and name HG2%)
3.500 1.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.90101E-03 ppm1 4.374 ppm2 1.000 CV 1
ASSI { 274}
(( segid "A " and resid 80 and name HA ))
( segid "C " and resid 1910 and name HE% )
4.600 2.600 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 3.960 ppm2 2.011 CV 1
OR { 274}
(( segid "A " and resid 80 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 275}
(( segid "A " and resid 80 and name HB2 ))
( segid "C " and resid 1910 and name HE% )
3.800 1.800 1.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 4.258 ppm2 2.007 CV 1
OR { 275}
(( segid "A " and resid 80 and name HB2 ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 276}
(( segid "A " and resid 80 and name HB3 ))
( segid "C " and resid 1910 and name HE% )
3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17462E-02 ppm1 3.431 ppm2 2.012 CV 1
OR { 276}
(( segid "A " and resid 80 and name HB3 ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 283}
(( segid "B " and resid 80 and name HB2 ))
( segid "C " and resid 1914 and name HG1%)
5.300 3.600 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 4.306 ppm2 1.169 CV 1
ASSI { 284}
(( segid "B " and resid 80 and name HB3 ))
( segid "C " and resid 1914 and name HG1%)
4.900 3.000 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.13112E-02 ppm1 3.420 ppm2 1.169 CV 1
ASSI { 286}
(( segid "A " and resid 78 and name HA ))
( segid "C " and resid 1904 and name HG2%)
3.400 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.21115E-02 ppm1 4.282 ppm2 1.485 CV 1
ASSI { 288}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.24920E-02 ppm1 3.439 ppm2 2.009 CV 1
OR { 288}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 290}
(( segid "A " and resid 77 and name HG11))
( segid "C " and resid 1907 and name HB% )
4.400 2.500 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.36462E-02 ppm1 0.960 ppm2 1.647 CV 1
OR { 290}
(( segid "A " and resid 77 and name HG12))
( segid "C " and resid 1907 and name HB% )
OR { 290}
(( segid "A " and resid 77 and name HG13))
( segid "C " and resid 1907 and name HB% )
ASSI { 292}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1908 and name HA ))
4.700 2.800 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 0.961 ppm2 4.439 CV 1
OR { 292}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1908 and name HA ))
OR { 292}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1908 and name HA ))
ASSI { 293}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1917 and name H ))
5.300 3.500 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.98083E-03 ppm1 1.159 ppm2 8.135 CV 1
OR { 293}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1917 and name H ))
OR { 293}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1917 and name H ))
ASSI { 294}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name H ))
5.900 4.400 0.100 peak 294 spectrum 1 weight 0.10000E+01 volume 0.13551E-02 ppm1 1.160 ppm2 7.807 CV 1
OR { 294}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name H ))
OR { 294}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name H ))
ASSI { 295}
(( segid "B " and resid 77 and name HA ))
( segid "C " and resid 1914 and name HG1%)
4.100 2.100 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.57998E-02 ppm1 3.423 ppm2 1.171 CV 1
OR { 295}
(( segid "B " and resid 77 and name HA ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 296}
(( segid "B " and resid 77 and name HA ))
( segid "C " and resid 1910 and name HE% )
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.31824E-02 ppm1 3.425 ppm2 2.009 CV 1
OR { 296}
(( segid "B " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 297}
(( segid "A " and resid 76 and name HB2 ))
(( segid "C " and resid 1910 and name HG2 ))
5.000 3.100 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 3.156 ppm2 1.978 CV 1
OR { 297}
(( segid "A " and resid 76 and name HB2 ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 298}
(( segid "A " and resid 76 and name HB3 ))
(( segid "C " and resid 1910 and name HG2 ))
5.100 3.200 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.14313E-02 ppm1 2.550 ppm2 1.985 CV 1
OR { 298}
(( segid "A " and resid 76 and name HB3 ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 299}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
4.700 2.800 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.24977E-02 ppm1 3.571 ppm2 1.992 CV 1
OR { 299}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
OR { 299}
(( segid "A " and resid 76 and name HA ))
( segid "C " and resid 1910 and name HE% )
ASSI { 302}
(( segid "B " and resid 76 and name HA ))
( segid "C " and resid 1910 and name HE% )
4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.25483E-02 ppm1 3.559 ppm2 2.016 CV 1
ASSI { 303}
(( segid "B " and resid 76 and name HB2 ))
( segid "C " and resid 1910 and name HE% )
2.900 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29642E-02 ppm1 3.106 ppm2 2.019 CV 1
ASSI { 304}
(( segid "B " and resid 76 and name HB3 ))
( segid "C " and resid 1910 and name HE% )
2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 2.591 ppm2 2.014 CV 1
ASSI { 305}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HD21))
4.000 2.000 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.15856E-02 ppm1 4.000 ppm2 7.837 CV 1
ASSI { 306}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HD22))
3.500 1.500 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 3.998 ppm2 7.435 CV 1
ASSI { 307}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HD22))
4.100 2.100 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.15723E-02 ppm1 4.063 ppm2 7.430 CV 1
ASSI { 308}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HD21))
4.400 2.500 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.78883E-03 ppm1 4.062 ppm2 7.835 CV 1
ASSI { 309}
(( segid "A " and resid 64 and name HA ))
(( segid "C " and resid 1908 and name HA ))
4.500 2.600 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 4.351 ppm2 4.457 CV 1
ASSI { 310}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1908 and name HA ))
3.000 1.100 1.100 peak 310 spectrum 1 weight 0.10000E+01 volume 0.38178E-02 ppm1 4.063 ppm2 4.458 CV 1
ASSI { 311}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
4.100 2.100 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.39805E-02 ppm1 3.996 ppm2 4.458 CV 1
ASSI { 312}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HB2 ))
3.600 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16575E-02 ppm1 4.063 ppm2 3.154 CV 1
ASSI { 313}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1908 and name HB2 ))
4.000 2.000 2.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 4.065 ppm2 2.922 CV 1
ASSI { 314}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HB3 ))
3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.16890E-02 ppm1 4.061 ppm2 2.690 CV 1
ASSI { 315}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HB2 ))
4.100 2.100 1.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.16672E-02 ppm1 3.995 ppm2 3.157 CV 1
ASSI { 316}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1911 and name HB3 ))
4.000 2.000 2.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16615E-02 ppm1 3.994 ppm2 2.697 CV 1
ASSI { 317}
(( segid "A " and resid 64 and name HB3 ))
( segid "C " and resid 1907 and name HB% )
5.100 3.200 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 4.000 ppm2 1.649 CV 1
ASSI { 318}
(( segid "B " and resid 62 and name HA ))
( segid "C " and resid 1917 and name HD1%)
3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.14916E-02 ppm1 4.267 ppm2 1.188 CV 1
ASSI { 319}
(( segid "B " and resid 62 and name HA ))
( segid "C " and resid 1917 and name HD2%)
3.300 1.400 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.28751E-02 ppm1 4.271 ppm2 1.014 CV 1
ASSI { 320}
(( segid "A " and resid 61 and name HA ))
( segid "C " and resid 1907 and name HB% )
4.500 2.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 4.451 ppm2 1.647 CV 1
ASSI { 321}
(( segid "B " and resid 61 and name HB3 ))
( segid "C " and resid 1921 and name HD1%)
4.000 2.000 2.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 2.333 ppm2 0.930 CV 1
ASSI { 322}
(( segid "B " and resid 61 and name HB3 ))
( segid "C " and resid 1917 and name HD2%)
4.000 2.000 2.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 2.329 ppm2 1.006 CV 1
ASSI { 323}
(( segid "B " and resid 61 and name HA ))
( segid "C " and resid 1917 and name HD2%)
4.400 2.400 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.19936E-02 ppm1 4.555 ppm2 1.021 CV 1
ASSI { 324}
(( segid "B " and resid 61 and name HA ))
( segid "C " and resid 1921 and name HD1%)
4.900 3.000 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.10522E-02 ppm1 4.555 ppm2 0.932 CV 1
ASSI { 325}
(( segid "B " and resid 61 and name HA ))
(( segid "C " and resid 1926 and name HG ))
5.500 3.800 0.500 peak 325 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 4.554 ppm2 1.705 CV 1
OR { 325}
(( segid "B " and resid 61 and name HA ))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 326}
(( segid "B " and resid 61 and name HA ))
(( segid "C " and resid 1920 and name HG3 ))
4.200 2.300 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.17258E-02 ppm1 4.556 ppm2 1.837 CV 1
ASSI { 327}
(( segid "A " and resid 45 and name HB3 ))
( segid "C " and resid 1900 and name HD2%)
3.400 1.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.13391E-02 ppm1 2.865 ppm2 1.091 CV 1
ASSI { 329}
(( segid "A " and resid 45 and name HB3 ))
( segid "C " and resid 1900 and name HD1%)
3.500 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 2.870 ppm2 0.958 CV 1
ASSI { 343}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1904 and name H ))
4.700 2.800 1.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 0.868 ppm2 7.511 CV 1
OR { 343}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1904 and name H ))
OR { 343}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1904 and name H ))
ASSI { 344}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1903 and name H ))
5.400 3.700 0.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 0.863 ppm2 8.158 CV 1
OR { 344}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1903 and name H ))
OR { 344}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1903 and name H ))
ASSI { 345}
(( segid "B " and resid 58 and name HA ))
( segid "C " and resid 1926 and name HD2%)
2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 4.023 ppm2 0.870 CV 1
ASSI { 346}
(( segid "B " and resid 58 and name HA ))
( segid "C " and resid 1926 and name HD1%)
5.000 3.100 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.11826E-02 ppm1 4.028 ppm2 0.934 CV 1
ASSI { 348}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HD3 ))
3.300 1.400 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.31358E-02 ppm1 1.323 ppm2 3.699 CV 1
OR { 348}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HD3 ))
OR { 348}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 349}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HD2 ))
4.400 2.400 1.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.20792E-02 ppm1 1.324 ppm2 3.247 CV 1
OR { 349}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HD2 ))
OR { 349}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HD2 ))
ASSI { 350}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HG2 ))
2.500 2.500 3.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.35460E-02 ppm1 1.314 ppm2 2.222 CV 1
OR { 350}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HG2 ))
OR { 350}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 351}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1900 and name HG ))
3.900 1.900 1.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.20756E-02 ppm1 1.317 ppm2 2.153 CV 1
OR { 351}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1900 and name HG ))
OR { 351}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1900 and name HG ))
ASSI { 352}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1900 and name HB3 ))
4.500 1.200 1.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.93117E-02 ppm1 1.315 ppm2 2.065 CV 1
OR { 352}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1900 and name HB3 ))
OR { 352}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 353}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1897 and name HA ))
2.800 2.800 3.200 peak 353 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 1.315 ppm2 4.439 CV 1
OR { 353}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1897 and name HA ))
OR { 353}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1897 and name HA ))
ASSI { 355}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
4.400 2.500 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.33504E-02 ppm1 1.325 ppm2 7.296 CV 1
OR { 355}
(( segid "B " and resid 54 and name HB1 ))
( segid "C " and resid 1928 and name HD% )
OR { 355}
(( segid "B " and resid 54 and name HB2 ))
( segid "C " and resid 1928 and name HD% )
OR { 355}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1928 and name HE% )
ASSI { 356}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HA ))
4.200 2.200 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17005E-02 ppm1 1.322 ppm2 4.606 CV 1
OR { 356}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HA ))
OR { 356}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HA ))
ASSI { 357}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1898 and name HB3 ))
4.300 2.300 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.28525E-02 ppm1 1.322 ppm2 1.943 CV 1
OR { 357}
(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1898 and name HB3 ))
OR { 357}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1898 and name HB3 ))
ASSI { 358}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HB3 ))
3.600 1.600 1.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.20463E-02 ppm1 1.325 ppm2 1.890 CV 1
OR { 358}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HB3 ))
OR { 358}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HB3 ))
OR { 358}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HB2 ))
OR { 358}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HB2 ))
ASSI { 359}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HG3 ))
3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.35375E-02 ppm1 1.321 ppm2 1.611 CV 1
OR { 359}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HG3 ))
OR { 359}
(( segid "B " and resid 54 and name HB2 ))
(( segid "C " and resid 1927 and name HG3 ))
ASSI { 360}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1926 and name HD2%)
4.400 2.400 1.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 1.324 ppm2 0.868 CV 1
OR { 360}
(( segid "B " and resid 54 and name HB1 ))
( segid "C " and resid 1926 and name HD2%)
OR { 360}
(( segid "B " and resid 54 and name HB2 ))
( segid "C " and resid 1926 and name HD2%)
ASSI { 366}
(( segid "B " and resid 50 and name HG21))
( segid "C " and resid 1928 and name HD% )
4.000 2.000 2.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.33571E-02 ppm1 1.030 ppm2 7.294 CV 1
OR { 366}
(( segid "B " and resid 50 and name HG23))
( segid "C " and resid 1928 and name HD% )
OR { 366}
(( segid "B " and resid 50 and name HG22))
( segid "C " and resid 1928 and name HD% )
ASSI { 367}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HG2 ))
4.100 2.100 1.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.14610E-02 ppm1 1.027 ppm2 1.353 CV 1
OR { 367}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HG2 ))
OR { 367}
(( segid "B " and resid 50 and name HG23))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 368}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HB2 ))
3.500 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.27403E-02 ppm1 1.028 ppm2 1.876 CV 1
OR { 368}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HB2 ))
OR { 368}
(( segid "B " and resid 50 and name HG23))
(( segid "C " and resid 1927 and name HB2 ))
OR { 368}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HB3 ))
OR { 368}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 369}
(( segid "B " and resid 50 and name HG22))
(( segid "C " and resid 1927 and name HB2 ))
3.200 1.300 1.300 peak 369 spectrum 1 weight 0.10000E+01 volume 0.29088E-02 ppm1 1.028 ppm2 1.929 CV 1
OR { 369}
(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1927 and name HB2 ))
OR { 369}
(( segid "B " and resid 50 and name HG23))
(( segid "C " and resid 1927 and name HB2 ))
ASSI { 370}
(( segid "B " and resid 47 and name HA2 ))
( segid "C " and resid 1929 and name HG1%)
2.700 2.700 3.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.26481E-02 ppm1 4.179 ppm2 0.883 CV 1
ASSI { 371}
(( segid "B " and resid 47 and name HA2 ))
( segid "C " and resid 1929 and name HG2%)
4.900 2.900 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 4.173 ppm2 0.783 CV 1
ASSI { 372}
(( segid "B " and resid 47 and name HA3 ))
( segid "C " and resid 1929 and name HG1%)
2.600 2.600 3.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.30986E-02 ppm1 3.741 ppm2 0.880 CV 1
ASSI { 373}
(( segid "B " and resid 47 and name HA3 ))
( segid "C " and resid 1929 and name HG2%)
3.300 1.400 1.400 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24538E-02 ppm1 3.746 ppm2 0.783 CV 1
ASSI { 374}
(( segid "A " and resid 46 and name HD23))
( segid "C " and resid 1900 and name HD2%)
2.300 0.700 0.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.21080E-01 ppm1 0.978 ppm2 1.092 CV 1
OR { 374}
(( segid "A " and resid 46 and name HD21))
( segid "C " and resid 1900 and name HD2%)
OR { 374}
(( segid "A " and resid 46 and name HD22))
( segid "C " and resid 1900 and name HD2%)
ASSI { 375}
(( segid "B " and resid 46 and name HD12))
(( segid "C " and resid 1927 and name HG2 ))
4.500 2.500 1.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.23927E-02 ppm1 1.061 ppm2 1.357 CV 1
OR { 375}
(( segid "B " and resid 46 and name HD11))
(( segid "C " and resid 1927 and name HG2 ))
OR { 375}
(( segid "B " and resid 46 and name HD13))
(( segid "C " and resid 1927 and name HG2 ))
ASSI { 376}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1897 and name HG2 ))
2.700 2.700 3.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.26773E-02 ppm1 0.979 ppm2 2.225 CV 1
OR { 376}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1897 and name HG2 ))
OR { 376}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 377}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1900 and name HG ))
3.300 1.300 1.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.39725E-02 ppm1 0.976 ppm2 2.154 CV 1
OR { 377}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1900 and name HG ))
OR { 377}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1900 and name HG ))
ASSI { 378}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1900 and name HB3 ))
4.300 2.400 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.20645E-02 ppm1 0.978 ppm2 2.072 CV 1
OR { 378}
(( segid "A " and resid 46 and name HD21))
(( segid "C " and resid 1900 and name HB3 ))
OR { 378}
(( segid "A " and resid 46 and name HD22))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 379}
(( segid "A " and resid 46 and name HA ))
( segid "C " and resid 1900 and name HD2%)
3.400 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.24773E-02 ppm1 4.461 ppm2 1.090 CV 1
ASSI { 381}
(( segid "A " and resid 45 and name HB2 ))
( segid "C " and resid 1900 and name HD2%)
4.000 2.000 2.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17972E-02 ppm1 3.387 ppm2 1.090 CV 1
ASSI { 382}
(( segid "A " and resid 45 and name HB2 ))
( segid "C " and resid 1900 and name HD1%)
4.000 2.000 2.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 3.394 ppm2 0.957 CV 1
ASSI { 383}
(( segid "A " and resid 45 and name HA ))
( segid "C " and resid 1900 and name HD2%)
5.000 3.100 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.11099E-02 ppm1 4.472 ppm2 1.082 CV 1
ASSI { 384}
(( segid "A " and resid 45 and name HA ))
( segid "C " and resid 1900 and name HD1%)
5.000 3.100 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 4.463 ppm2 0.954 CV 1
ASSI { 385}
(( segid "A " and resid 42 and name HD11))
( segid "C " and resid 1900 and name HD2%)
5.200 3.300 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 0.874 ppm2 1.096 CV 1
OR { 385}
(( segid "A " and resid 42 and name HD13))
( segid "C " and resid 1900 and name HD2%)
OR { 385}
(( segid "A " and resid 42 and name HD12))
( segid "C " and resid 1900 and name HD2%)
ASSI { 386}
(( segid "A " and resid 42 and name HD22))
( segid "C " and resid 1900 and name HD2%)
4.600 2.700 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.18224E-02 ppm1 0.707 ppm2 1.087 CV 1
OR { 386}
(( segid "A " and resid 42 and name HD21))
( segid "C " and resid 1900 and name HD2%)
OR { 386}
(( segid "A " and resid 42 and name HD23))
( segid "C " and resid 1900 and name HD2%)
ASSI { 387}
(( segid "A " and resid 42 and name HD22))
( segid "C " and resid 1900 and name HD1%)
4.700 2.700 1.300 peak 387 spectrum 1 weight 0.10000E+01 volume 0.17776E-02 ppm1 0.706 ppm2 0.959 CV 1
OR { 387}
(( segid "A " and resid 42 and name HD21))
( segid "C " and resid 1900 and name HD1%)
OR { 387}
(( segid "A " and resid 42 and name HD23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 388}
(( segid "B " and resid 42 and name HD13))
( segid "C " and resid 1928 and name HD% )
5.500 3.700 0.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 0.775 ppm2 7.294 CV 1
OR { 388}
(( segid "B " and resid 42 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 388}
(( segid "B " and resid 42 and name HD11))
( segid "C " and resid 1928 and name HE% )
OR { 388}
(( segid "B " and resid 42 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 388}
(( segid "B " and resid 42 and name HD12))
( segid "C " and resid 1928 and name HD% )
ASSI { 389}
(( segid "B " and resid 42 and name HD22))
( segid "C " and resid 1928 and name HE% )
5.000 3.100 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.16956E-02 ppm1 0.685 ppm2 7.290 CV 1
OR { 389}
(( segid "B " and resid 42 and name HD23))
( segid "C " and resid 1928 and name HE% )
OR { 389}
(( segid "B " and resid 42 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 389}
(( segid "B " and resid 42 and name HD22))
( segid "C " and resid 1928 and name HD% )
ASSI { 390}
(( segid "B " and resid 50 and name HA ))
( segid "C " and resid 1928 and name HD% )
4.600 2.700 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.20224E-02 ppm1 4.230 ppm2 7.297 CV 1
OR { 390}
(( segid "B " and resid 50 and name HA ))
( segid "C " and resid 1928 and name HE% )
ASSI { 391}
(( segid "A " and resid 84 and name HE3 ))
(( segid "C " and resid 1910 and name HB2 ))
2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.74050E-02 ppm1 2.224 ppm2 2.274 CV 1
OR { 391}
(( segid "A " and resid 84 and name HE1 ))
(( segid "C " and resid 1910 and name HB2 ))
OR { 391}
(( segid "A " and resid 84 and name HE2 ))
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 392}
(( segid "A " and resid 46 and name HD23))
( segid "C " and resid 1900 and name HD1%)
3.800 1.800 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.43060E-02 ppm1 0.978 ppm2 0.954 CV 1
OR { 392}
(( segid "A " and resid 46 and name HD21))
( segid "C " and resid 1900 and name HD1%)
OR { 392}
(( segid "A " and resid 46 and name HD22))
( segid "C " and resid 1900 and name HD1%)
ASSI { 396}
(( segid "A " and resid 13 and name HG12))
( segid "C " and resid 1934 and name HE% )
4.600 2.600 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.20135E-02 ppm1 1.286 ppm2 2.148 CV 1
OR { 396}
(( segid "A " and resid 13 and name HG13))
( segid "C " and resid 1934 and name HE% )
OR { 396}
(( segid "A " and resid 13 and name HG11))
( segid "C " and resid 1934 and name HE% )
ASSI { 1}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HA ))
2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.34900E-02 ppm1 7.045 ppm2 5.321 CV 1
ASSI { 2}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HB2 ))
3.600 1.600 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.36359E-02 ppm1 7.042 ppm2 3.071 CV 1
ASSI { 3}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HB3 ))
2.400 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.52611E-02 ppm1 7.042 ppm2 3.021 CV 1
ASSI { 4}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1928 and name HB2 ))
2.700 0.900 0.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.74905E-02 ppm1 7.303 ppm2 3.093 CV 1
ASSI { 5}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1928 and name HB3 ))
2.200 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.78551E-02 ppm1 7.303 ppm2 3.030 CV 1
ASSI { 6}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1929 and name HA ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.33337E-02 ppm1 8.587 ppm2 4.422 CV 1
ASSI { 7}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1929 and name HB ))
3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.39588E-02 ppm1 8.586 ppm2 2.005 CV 1
ASSI { 8}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1929 and name HG1%)
3.700 1.700 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 8.586 ppm2 0.883 CV 1
ASSI { 9}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1929 and name HG2%)
2.800 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.78239E-02 ppm1 8.586 ppm2 0.786 CV 1
ASSI { 10}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HB2 ))
3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.24586E-02 ppm1 8.584 ppm2 3.083 CV 1
ASSI { 11}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HB3 ))
4.500 2.600 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.24274E-02 ppm1 8.583 ppm2 3.028 CV 1
ASSI { 12}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HA ))
2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.82302E-02 ppm1 8.584 ppm2 5.320 CV 1
ASSI { 13}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name H ))
4.800 2.900 1.200 peak 13 spectrum 1 weight 0.10000E+01 volume 0.14689E-02 ppm1 8.593 ppm2 7.039 CV 1
ASSI { 15}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name HA ))
2.100 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.21805E-01 ppm1 8.009 ppm2 4.424 CV 1
ASSI { 16}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name H ))
4.200 2.200 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 8.008 ppm2 8.575 CV 1
ASSI { 17}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1930 and name HA ))
2.500 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.71155E-02 ppm1 8.010 ppm2 4.329 CV 1
ASSI { 18}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1929 and name HG2%)
3.800 1.800 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.48860E-02 ppm1 8.008 ppm2 0.786 CV 1
ASSI { 19}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1929 and name HG1%)
3.500 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.89282E-02 ppm1 8.007 ppm2 0.883 CV 1
ASSI { 20}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name HB ))
2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.84802E-02 ppm1 8.008 ppm2 2.004 CV 1
ASSI { 21}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1930 and name HB ))
2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.96679E-02 ppm1 8.009 ppm2 1.926 CV 1
ASSI { 22}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1930 and name HG2%)
2.500 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13002E-01 ppm1 8.009 ppm2 1.030 CV 1
ASSI { 23}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1930 and name HG1%)
3.400 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.52819E-02 ppm1 8.011 ppm2 0.961 CV 1
ASSI { 24}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HD3 ))
5.100 3.300 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.94803E-03 ppm1 7.033 ppm2 3.692 CV 1
ASSI { 25}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HD2 ))
3.600 1.700 1.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 7.040 ppm2 3.257 CV 1
ASSI { 26}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HB2 ))
3.600 1.600 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.25316E-02 ppm1 7.043 ppm2 1.866 CV 1
OR { 26}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 27}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HG3 ))
4.800 2.900 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 7.043 ppm2 1.608 CV 1
ASSI { 28}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HG2 ))
2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.21565E-02 ppm1 7.042 ppm2 1.347 CV 1
ASSI { 29}
(( segid "C " and resid 1927 and name HB3 ))
(( segid "C " and resid 1927 and name HA ))
3.200 1.300 1.300 peak 29 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 1.887 ppm2 4.604 CV 1
OR { 29}
(( segid "C " and resid 1927 and name HB2 ))
(( segid "C " and resid 1927 and name HA ))
ASSI { 30}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HA ))
3.500 1.500 1.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.28128E-02 ppm1 8.253 ppm2 4.576 CV 1
ASSI { 31}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HB2 ))
3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.63237E-02 ppm1 8.253 ppm2 2.696 CV 1
OR { 31}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HB3 ))
ASSI { 32}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HA ))
3.100 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.44485E-02 ppm1 7.989 ppm2 4.576 CV 1
ASSI { 33}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HB3 ))
3.900 1.900 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.28962E-02 ppm1 7.990 ppm2 2.700 CV 1
OR { 33}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HB2 ))
ASSI { 34}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HB2 ))
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.57507E-02 ppm1 7.990 ppm2 1.855 CV 1
ASSI { 35}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HB3 ))
3.200 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.38026E-02 ppm1 7.991 ppm2 1.348 CV 1
ASSI { 36}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HG ))
2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.52611E-02 ppm1 7.990 ppm2 1.688 CV 1
ASSI { 37}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1926 and name HD1%)
2.900 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.99387E-02 ppm1 1.346 ppm2 0.949 CV 1
ASSI { 38}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1926 and name HD2%)
2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.80427E-02 ppm1 1.347 ppm2 0.868 CV 1
ASSI { 39}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1924 and name HA2 ))
4.200 2.200 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 8.252 ppm2 4.097 CV 1
ASSI { 40}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1924 and name HA3 ))
3.900 1.900 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.25420E-02 ppm1 8.252 ppm2 4.056 CV 1
ASSI { 41}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name H ))
3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.26149E-02 ppm1 8.036 ppm2 7.615 CV 1
ASSI { 42}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1922 and name H ))
2.600 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.42297E-02 ppm1 8.308 ppm2 7.681 CV 1
ASSI { 43}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HA ))
2.800 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.89594E-02 ppm1 7.683 ppm2 4.392 CV 1
ASSI { 44}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HD2 ))
4.600 2.700 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.21148E-02 ppm1 7.686 ppm2 3.323 CV 1
OR { 44}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HD3 ))
ASSI { 45}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HB2 ))
2.400 0.700 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.62091E-02 ppm1 7.683 ppm2 2.095 CV 1
ASSI { 46}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HB3 ))
3.300 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.91470E-02 ppm1 7.685 ppm2 2.008 CV 1
ASSI { 47}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HG3 ))
4.000 2.000 2.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.43651E-02 ppm1 7.684 ppm2 1.910 CV 1
ASSI { 48}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HG2 ))
3.900 1.900 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.36984E-02 ppm1 7.682 ppm2 1.827 CV 1
ASSI { 49}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HB3 ))
2.600 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.13908E-01 ppm1 7.619 ppm2 2.071 CV 1
ASSI { 50}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HB2 ))
2.300 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.14919E-01 ppm1 7.619 ppm2 1.955 CV 1
ASSI { 51}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HG3 ))
4.000 2.000 2.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.65425E-02 ppm1 7.620 ppm2 1.829 CV 1
ASSI { 52}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HG2 ))
4.100 2.100 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.51361E-02 ppm1 7.622 ppm2 1.791 CV 1
ASSI { 53}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name HB3 ))
3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.45631E-02 ppm1 8.038 ppm2 2.069 CV 1
ASSI { 54}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name HB2 ))
4.100 2.100 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.30212E-02 ppm1 8.038 ppm2 1.954 CV 1
ASSI { 55}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HD2 ))
4.400 2.400 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.44693E-02 ppm1 7.622 ppm2 3.304 CV 1
OR { 55}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HD3 ))
ASSI { 56}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HA ))
2.600 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13439E-01 ppm1 7.621 ppm2 4.404 CV 1
ASSI { 57}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1921 and name HA ))
2.600 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.61258E-02 ppm1 8.308 ppm2 4.248 CV 1
ASSI { 58}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1921 and name HA ))
3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.39901E-02 ppm1 7.684 ppm2 4.246 CV 1
ASSI { 59}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1921 and name HD1%)
3.600 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.69800E-02 ppm1 8.309 ppm2 0.927 CV 1
ASSI { 60}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1921 and name HD2%)
3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.71259E-02 ppm1 8.311 ppm2 0.907 CV 1
ASSI { 61}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name H ))
2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.54173E-02 ppm1 8.310 ppm2 7.833 CV 1
ASSI { 62}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HA ))
3.500 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.26045E-02 ppm1 8.307 ppm2 4.134 CV 1
ASSI { 63}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HA ))
2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.77614E-02 ppm1 7.831 ppm2 4.134 CV 1
ASSI { 64}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.36150E-02 ppm1 8.309 ppm2 1.832 CV 1
ASSI { 65}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HB2 ))
3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.55424E-02 ppm1 8.310 ppm2 1.935 CV 1
OR { 65}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HB3 ))
ASSI { 66}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HG2 ))
2.300 0.700 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.33650E-02 ppm1 7.835 ppm2 1.531 CV 1
ASSI { 67}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HG2 ))
4.500 2.600 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12189E-02 ppm1 8.310 ppm2 1.529 CV 1
ASSI { 68}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.80739E-02 ppm1 7.835 ppm2 1.830 CV 1
ASSI { 69}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1920 and name H ))
2.500 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.62404E-02 ppm1 7.484 ppm2 7.834 CV 1
ASSI { 70}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1919 and name HB3 ))
2.900 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.35317E-02 ppm1 7.838 ppm2 3.003 CV 1
ASSI { 71}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1919 and name HB2 ))
3.700 1.700 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.39172E-02 ppm1 7.837 ppm2 2.953 CV 1
ASSI { 72}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HB3 ))
2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.82406E-02 ppm1 7.485 ppm2 3.001 CV 1
ASSI { 73}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HB2 ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.81677E-02 ppm1 7.483 ppm2 2.952 CV 1
ASSI { 74}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HA ))
2.900 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.55944E-02 ppm1 7.484 ppm2 4.582 CV 1
ASSI { 75}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name H ))
2.600 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.44380E-02 ppm1 7.484 ppm2 8.902 CV 1
ASSI { 77}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HA ))
3.000 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.35317E-02 ppm1 7.485 ppm2 3.912 CV 1
ASSI { 78}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HA ))
2.300 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.96783E-02 ppm1 8.905 ppm2 3.913 CV 1
ASSI { 79}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HE2 ))
5.400 3.700 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 8.904 ppm2 3.046 CV 1
OR { 79}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HE3 ))
ASSI { 80}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10262E-01 ppm1 8.905 ppm2 2.095 CV 1
ASSI { 81}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
1.900 0.400 0.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10012E-01 ppm1 8.905 ppm2 2.063 CV 1
ASSI { 82}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16565E-02 ppm1 8.903 ppm2 1.811 CV 1
ASSI { 83}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1920 and name HG2 ))
3.500 1.600 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.32712E-02 ppm1 7.484 ppm2 1.542 CV 1
OR { 83}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HG2 ))
OR { 83}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HG3 ))
ASSI { 84}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HG3 ))
3.900 1.900 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.41568E-02 ppm1 8.904 ppm2 1.540 CV 1
OR { 84}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HG2 ))
ASSI { 85}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
3.300 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 7.485 ppm2 1.833 CV 1
OR { 85}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
ASSI { 86}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HD2 ))
4.000 2.000 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.55944E-02 ppm1 8.904 ppm2 1.666 CV 1
ASSI { 87}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1917 and name H ))
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.64487E-02 ppm1 8.907 ppm2 8.139 CV 1
ASSI { 89}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1917 and name HA ))
3.300 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.24274E-02 ppm1 8.906 ppm2 4.265 CV 1
ASSI { 90}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1917 and name HA ))
2.100 0.600 0.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19825E-01 ppm1 8.140 ppm2 4.265 CV 1
ASSI { 91}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1917 and name HB3 ))
2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25420E-02 ppm1 8.906 ppm2 1.984 CV 1
ASSI { 92}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1917 and name HB2 ))
2.500 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.73551E-02 ppm1 8.142 ppm2 1.634 CV 1
ASSI { 93}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.400 2.400 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 8.905 ppm2 1.184 CV 1
ASSI { 94}
(( segid "C " and resid 1917 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.400 2.400 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.35213E-02 ppm1 8.143 ppm2 1.184 CV 1
ASSI { 95}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1917 and name HD2%)
3.700 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.23753E-02 ppm1 8.906 ppm2 1.004 CV 1
ASSI { 98}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HA ))
2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.96366E-02 ppm1 7.854 ppm2 4.378 CV 1
ASSI { 99}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
2.400 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.18419E-01 ppm1 7.854 ppm2 4.095 CV 1
ASSI { 100}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HB3 ))
2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.11408E-01 ppm1 7.854 ppm2 4.043 CV 1
ASSI { 101}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name HB3 ))
3.000 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.52715E-02 ppm1 8.143 ppm2 4.052 CV 1
ASSI { 102}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1915 and name H ))
2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.51569E-02 ppm1 7.854 ppm2 8.440 CV 1
ASSI { 104}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name H ))
2.600 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.52506E-02 ppm1 8.443 ppm2 8.813 CV 1
ASSI { 106}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1914 and name HA ))
2.600 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.57924E-02 ppm1 8.814 ppm2 3.600 CV 1
ASSI { 107}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1914 and name HB ))
2.200 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.83448E-02 ppm1 8.813 ppm2 2.167 CV 1
ASSI { 109}
(( segid "C " and resid 1914 and name H ))
( segid "C " and resid 1914 and name HG2%)
3.800 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.51256E-02 ppm1 8.814 ppm2 0.988 CV 1
ASSI { 110}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name HB ))
3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.67925E-02 ppm1 8.445 ppm2 2.164 CV 1
ASSI { 111}
(( segid "C " and resid 1915 and name H ))
( segid "C " and resid 1914 and name HG1%)
2.400 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.45526E-02 ppm1 8.443 ppm2 1.170 CV 1
ASSI { 112}
(( segid "C " and resid 1915 and name H ))
( segid "C " and resid 1914 and name HG2%)
3.900 1.900 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.52923E-02 ppm1 8.444 ppm2 0.985 CV 1
ASSI { 113}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name HA ))
3.300 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.26149E-02 ppm1 8.444 ppm2 3.602 CV 1
ASSI { 114}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1914 and name H ))
2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.49694E-02 ppm1 7.815 ppm2 8.809 CV 1
ASSI { 115}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HA ))
2.900 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.81364E-02 ppm1 8.814 ppm2 4.248 CV 1
ASSI { 116}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HA ))
2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.14012E-01 ppm1 7.816 ppm2 4.248 CV 1
ASSI { 117}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.68342E-02 ppm1 7.815 ppm2 2.316 CV 1
OR { 117}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 118}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
2.900 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.73863E-02 ppm1 7.814 ppm2 2.565 CV 1
ASSI { 119}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HG2 ))
2.000 0.500 0.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.73759E-02 ppm1 7.814 ppm2 2.503 CV 1
ASSI { 120}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
3.900 1.900 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 8.813 ppm2 2.317 CV 1
OR { 120}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 121}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
2.900 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.23440E-02 ppm1 8.812 ppm2 2.564 CV 1
ASSI { 122}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HG2 ))
3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.20002E-02 ppm1 8.815 ppm2 2.502 CV 1
ASSI { 123}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name H ))
2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.69800E-02 ppm1 7.814 ppm2 7.614 CV 1
ASSI { 125}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HA ))
2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.62404E-02 ppm1 7.618 ppm2 4.248 CV 1
ASSI { 126}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HA ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.12970E-01 ppm1 7.618 ppm2 4.152 CV 1
ASSI { 127}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HA ))
3.200 1.300 1.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.46256E-02 ppm1 7.814 ppm2 4.152 CV 1
ASSI { 128}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HB2 ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.45839E-02 ppm1 7.815 ppm2 2.151 CV 1
ASSI { 129}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HB2 ))
2.600 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.75113E-02 ppm1 7.618 ppm2 2.147 CV 1
ASSI { 130}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HB3 ))
3.600 1.600 1.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.40213E-02 ppm1 7.815 ppm2 2.058 CV 1
ASSI { 131}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HG3 ))
5.100 3.300 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 7.816 ppm2 1.952 CV 1
ASSI { 132}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HG2 ))
2.900 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.35838E-02 ppm1 7.617 ppm2 1.698 CV 1
ASSI { 133}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HD3 ))
3.900 1.900 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11668E-02 ppm1 7.613 ppm2 3.399 CV 1
ASSI { 134}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HD2 ))
3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30733E-02 ppm1 7.618 ppm2 3.276 CV 1
ASSI { 135}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name H ))
2.700 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.49277E-02 ppm1 7.618 ppm2 9.005 CV 1
ASSI { 137}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HA ))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.96679E-02 ppm1 9.007 ppm2 4.250 CV 1
OR { 137}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HA ))
ASSI { 138}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HB2 ))
2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.71780E-02 ppm1 9.007 ppm2 3.158 CV 1
ASSI { 139}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HB3 ))
2.800 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.66987E-02 ppm1 9.006 ppm2 2.695 CV 1
ASSI { 140}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HB3 ))
2.800 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.39276E-02 ppm1 7.617 ppm2 2.700 CV 1
ASSI { 141}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HB2 ))
4.000 2.000 2.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.28649E-02 ppm1 7.618 ppm2 3.156 CV 1
ASSI { 143}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name H ))
2.600 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.64800E-02 ppm1 9.007 ppm2 8.141 CV 1
ASSI { 144}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HA ))
2.200 0.600 0.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17586E-01 ppm1 8.145 ppm2 4.257 CV 1
ASSI { 145}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
2.900 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.28858E-02 ppm1 9.005 ppm2 2.558 CV 1
ASSI { 146}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
2.000 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13106E-01 ppm1 8.142 ppm2 2.558 CV 1
ASSI { 147}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1910 and name HA ))
2.300 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.22513E-01 ppm1 2.561 ppm2 4.251 CV 1
ASSI { 148}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30629E-02 ppm1 9.005 ppm2 2.271 CV 1
ASSI { 149}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HG2 ))
3.500 1.600 1.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.35109E-02 ppm1 9.007 ppm2 1.992 CV 1
OR { 149}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 150}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.90740E-02 ppm1 8.145 ppm2 2.275 CV 1
ASSI { 151}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HG2 ))
3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.93762E-02 ppm1 8.143 ppm2 1.989 CV 1
OR { 151}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 152}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name H ))
2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.88969E-02 ppm1 8.042 ppm2 8.913 CV 1
ASSI { 153}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1909 and name HA ))
2.500 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.18565E-01 ppm1 8.041 ppm2 4.123 CV 1
ASSI { 154}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1909 and name HA ))
3.300 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.73759E-02 ppm1 8.144 ppm2 4.126 CV 1
ASSI { 155}
(( segid "C " and resid 1909 and name H ))
( segid "C " and resid 1909 and name HB% )
2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.38984E-01 ppm1 8.042 ppm2 1.577 CV 1
ASSI { 156}
(( segid "C " and resid 1910 and name H ))
( segid "C " and resid 1909 and name HB% )
2.200 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.27681E-01 ppm1 8.143 ppm2 1.579 CV 1
ASSI { 158}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HA ))
2.700 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11960E-01 ppm1 8.915 ppm2 4.453 CV 1
ASSI { 159}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HB2 ))
2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.17283E-01 ppm1 8.915 ppm2 2.930 CV 1
ASSI { 160}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HB3 ))
2.500 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.14252E-01 ppm1 8.915 ppm2 2.826 CV 1
ASSI { 161}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HA ))
3.500 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.43235E-02 ppm1 8.045 ppm2 4.447 CV 1
ASSI { 162}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HB3 ))
2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.99179E-02 ppm1 8.041 ppm2 2.827 CV 1
ASSI { 163}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HB2 ))
3.700 1.700 1.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.73759E-02 ppm1 8.042 ppm2 2.928 CV 1
ASSI { 164}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1908 and name H ))
2.800 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.65946E-02 ppm1 7.693 ppm2 8.911 CV 1
ASSI { 166}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1907 and name HA ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10741E-01 ppm1 7.693 ppm2 3.772 CV 1
ASSI { 167}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1907 and name HA ))
3.200 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.38755E-02 ppm1 8.916 ppm2 3.772 CV 1
ASSI { 168}
(( segid "C " and resid 1907 and name H ))
( segid "C " and resid 1907 and name HB% )
2.200 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.23472E-01 ppm1 7.693 ppm2 1.648 CV 1
ASSI { 169}
(( segid "C " and resid 1908 and name H ))
( segid "C " and resid 1907 and name HB% )
2.600 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11689E-01 ppm1 8.913 ppm2 1.648 CV 1
ASSI { 171}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HA ))
3.500 1.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.35213E-02 ppm1 7.743 ppm2 4.098 CV 1
ASSI { 172}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1907 and name H ))
2.500 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10283E-01 ppm1 7.746 ppm2 7.691 CV 1
ASSI { 174}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name H ))
2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.50006E-02 ppm1 7.743 ppm2 7.566 CV 1
ASSI { 176}
(( segid "C " and resid 1906 and name H ))
( segid "C " and resid 1906 and name HG2%)
3.400 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.80739E-02 ppm1 7.744 ppm2 1.305 CV 1
ASSI { 177}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1906 and name HB ))
2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.14689E-01 ppm1 1.305 ppm2 4.586 CV 1
ASSI { 178}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1906 and name HA ))
6.000 4.600 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.72926E-04 ppm1 7.744 ppm2 4.655 CV 1
ASSI { 179}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
2.300 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18086E-01 ppm1 7.568 ppm2 2.276 CV 1
OR { 179}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 180}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
3.000 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61987E-02 ppm1 7.743 ppm2 2.275 CV 1
OR { 180}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 181}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HA ))
2.600 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.12033E-01 ppm1 7.568 ppm2 4.097 CV 1
ASSI { 182}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HG3 ))
3.900 1.900 1.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.69384E-02 ppm1 7.567 ppm2 2.642 CV 1
ASSI { 183}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HG2 ))
4.100 2.100 1.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.61049E-02 ppm1 7.567 ppm2 2.588 CV 1
ASSI { 184}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HG2 ))
4.600 2.700 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 7.743 ppm2 2.603 CV 1
ASSI { 185}
(( segid "C " and resid 1904 and name H ))
( segid "C " and resid 1903 and name HB% )
2.600 0.800 0.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.50735E-02 ppm1 7.509 ppm2 1.599 CV 1
ASSI { 186}
(( segid "C " and resid 1904 and name H ))
( segid "C " and resid 1904 and name HG2%)
2.900 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.36984E-02 ppm1 7.508 ppm2 1.489 CV 1
ASSI { 187}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1903 and name H ))
3.100 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.36671E-02 ppm1 7.507 ppm2 8.147 CV 1
ASSI { 188}
(( segid "C " and resid 1903 and name H ))
( segid "C " and resid 1903 and name HB% )
2.000 0.500 0.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.30264E-01 ppm1 8.146 ppm2 1.600 CV 1
ASSI { 190}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1903 and name HA ))
2.600 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.11085E-01 ppm1 8.149 ppm2 4.337 CV 1
ASSI { 191}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1903 and name HA ))
3.700 1.700 1.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 7.512 ppm2 4.335 CV 1
ASSI { 192}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name HB3 ))
3.400 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.38338E-02 ppm1 8.149 ppm2 2.878 CV 1
ASSI { 193}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name HB2 ))
3.500 1.600 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.49069E-02 ppm1 8.148 ppm2 2.827 CV 1
ASSI { 194}
(( segid "C " and resid 1935 and name H ))
( segid "C " and resid 1935 and name HB% )
2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.16471E-01 ppm1 8.137 ppm2 1.384 CV 1
ASSI { 195}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1935 and name HA ))
2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.24795E-01 ppm1 1.385 ppm2 4.275 CV 1
ASSI { 196}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HB2 ))
3.100 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.81885E-02 ppm1 8.125 ppm2 1.741 CV 1
ASSI { 197}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HB3 ))
3.400 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.57195E-02 ppm1 8.125 ppm2 1.787 CV 1
ASSI { 198}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HG3 ))
3.400 1.400 1.400 peak 198 spectrum 1 weight 0.10000E+01 volume 0.66154E-02 ppm1 8.125 ppm2 1.538 CV 1
OR { 198}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HG2 ))
ASSI { 199}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HA ))
2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13981E-01 ppm1 8.128 ppm2 4.280 CV 1
ASSI { 201}
(( segid "C " and resid 1930 and name HB ))
(( segid "C " and resid 1930 and name HA ))
2.300 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12491E-01 ppm1 1.929 ppm2 4.328 CV 1
ASSI { 202}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1930 and name HA ))
2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.12335E-01 ppm1 1.030 ppm2 4.325 CV 1
ASSI { 203}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1930 and name HA ))
2.300 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.15241E-01 ppm1 0.968 ppm2 4.329 CV 1
ASSI { 204}
(( segid "C " and resid 1930 and name HB ))
( segid "C " and resid 1930 and name HG1%)
2.200 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21430E-01 ppm1 1.931 ppm2 0.959 CV 1
ASSI { 206}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1930 and name HB ))
2.100 0.500 0.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.26170E-01 ppm1 1.029 ppm2 1.929 CV 1
ASSI { 214}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1929 and name HA ))
2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.15179E-01 ppm1 0.884 ppm2 4.423 CV 1
ASSI { 215}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1929 and name HA ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.85219E-02 ppm1 0.788 ppm2 4.423 CV 1
ASSI { 216}
(( segid "C " and resid 1929 and name HB ))
(( segid "C " and resid 1929 and name HA ))
2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12585E-01 ppm1 2.004 ppm2 4.426 CV 1
ASSI { 217}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1929 and name HB ))
2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.19669E-01 ppm1 0.788 ppm2 2.003 CV 1
ASSI { 219}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1928 and name HA ))
3.500 1.500 1.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.61674E-02 ppm1 7.305 ppm2 5.319 CV 1
ASSI { 220}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1928 and name HD% )
3.000 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.28649E-02 ppm1 8.583 ppm2 7.302 CV 1
ASSI { 222}
( segid "C " and resid 1928 and name HD% )
( segid "C " and resid 1929 and name HG2%)
4.000 2.000 2.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.42818E-02 ppm1 7.305 ppm2 0.787 CV 1
ASSI { 223}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1927 and name HG2 ))
3.500 1.500 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.27191E-02 ppm1 7.306 ppm2 1.355 CV 1
OR { 223}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1926 and name HB3 ))
ASSI { 224}
(( segid "C " and resid 1928 and name HZ ))
( segid "C " and resid 1929 and name HG1%)
4.300 2.400 1.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.36775E-02 ppm1 7.207 ppm2 0.880 CV 1
ASSI { 225}
(( segid "C " and resid 1928 and name HZ ))
( segid "C " and resid 1921 and name HD1%)
2.600 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.60007E-02 ppm1 7.207 ppm2 0.948 CV 1
OR { 225}
( segid "A " and resid 45 and name HD% )
( segid "C " and resid 1900 and name HD1%)
OR { 225}
(( segid "C " and resid 1928 and name HZ ))
( segid "C " and resid 1926 and name HD1%)
ASSI { 226}
(( segid "C " and resid 1928 and name HZ ))
( segid "C " and resid 1917 and name HD2%)
4.800 2.900 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 7.205 ppm2 1.035 CV 1
OR { 226}
(( segid "C " and resid 1928 and name HZ ))
( segid "C " and resid 1930 and name HG2%)
ASSI { 227}
( segid "C " and resid 1928 and name HE% )
( segid "C " and resid 1929 and name HG2%)
4.700 2.800 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.23753E-02 ppm1 7.288 ppm2 0.789 CV 1
ASSI { 228}
( segid "C " and resid 1928 and name HD% )
( segid "C " and resid 1929 and name HG1%)
3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.73238E-02 ppm1 7.303 ppm2 0.881 CV 1
ASSI { 229}
( segid "C " and resid 1928 and name HE% )
( segid "C " and resid 1929 and name HG1%)
3.900 1.900 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.55736E-02 ppm1 7.285 ppm2 0.881 CV 1
ASSI { 230}
( segid "C " and resid 1928 and name HD% )
( segid "C " and resid 1926 and name HD1%)
2.700 0.900 0.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.86573E-02 ppm1 7.302 ppm2 0.949 CV 1
ASSI { 231}
( segid "C " and resid 1928 and name HE% )
( segid "C " and resid 1926 and name HD1%)
3.100 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.69696E-02 ppm1 7.285 ppm2 0.950 CV 1
ASSI { 232}
( segid "C " and resid 1928 and name HD% )
( segid "C " and resid 1930 and name HG2%)
3.700 1.700 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.50527E-02 ppm1 7.303 ppm2 1.028 CV 1
ASSI { 233}
( segid "C " and resid 1928 and name HE% )
( segid "C " and resid 1930 and name HG2%)
3.800 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.49485E-02 ppm1 7.286 ppm2 1.028 CV 1
ASSI { 234}
( segid "C " and resid 1928 and name HD% )
(( segid "C " and resid 1926 and name HG ))
4.900 3.000 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 7.305 ppm2 1.694 CV 1
ASSI { 235}
(( segid "C " and resid 1919 and name HD22))
(( segid "C " and resid 1919 and name HB2 ))
4.400 2.400 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.27712E-02 ppm1 7.039 ppm2 2.949 CV 1
ASSI { 236}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1900 and name HD2%)
3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.56049E-02 ppm1 7.048 ppm2 1.093 CV 1
ASSI { 237}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1926 and name HD1%)
2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.84073E-02 ppm1 7.042 ppm2 0.954 CV 1
OR { 237}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1900 and name HD1%)
ASSI { 238}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1926 and name HD2%)
4.000 2.000 2.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 7.044 ppm2 0.877 CV 1
OR { 238}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1929 and name HG1%)
ASSI { 239}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1926 and name HG ))
4.900 3.000 1.100 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13856E-02 ppm1 7.042 ppm2 1.688 CV 1
ASSI { 242}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD22))
4.400 2.400 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16565E-02 ppm1 0.965 ppm2 7.430 CV 1
OR { 242}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD22))
OR { 242}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD22))
ASSI { 243}
( segid "C " and resid 1929 and name HG2%)
( segid "C " and resid 1928 and name HD% )
4.100 2.100 1.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.50631E-02 ppm1 0.787 ppm2 7.299 CV 1
OR { 243}
( segid "C " and resid 1929 and name HG2%)
( segid "C " and resid 1928 and name HE% )
OR { 243}
(( segid "B " and resid 42 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 243}
(( segid "B " and resid 42 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 243}
(( segid "B " and resid 42 and name HD11))
( segid "C " and resid 1928 and name HE% )
ASSI { 244}
( segid "C " and resid 1926 and name HD1%)
( segid "C " and resid 1928 and name HD% )
2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.17940E-01 ppm1 0.959 ppm2 7.293 CV 1
OR { 244}
(( segid "B " and resid 46 and name HD22))
( segid "C " and resid 1928 and name HD% )
OR { 244}
(( segid "B " and resid 46 and name HD21))
( segid "C " and resid 1928 and name HD% )
OR { 244}
( segid "C " and resid 1926 and name HD1%)
( segid "C " and resid 1928 and name HE% )
OR { 244}
(( segid "B " and resid 46 and name HD23))
( segid "C " and resid 1928 and name HD% )
ASSI { 245}
( segid "C " and resid 1926 and name HD2%)
( segid "C " and resid 1928 and name HE% )
3.800 1.800 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.53236E-02 ppm1 0.870 ppm2 7.293 CV 1
ASSI { 246}
(( segid "B " and resid 42 and name HD22))
( segid "C " and resid 1928 and name HE% )
5.100 3.300 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.18752E-02 ppm1 0.682 ppm2 7.293 CV 1
OR { 246}
(( segid "B " and resid 42 and name HD23))
( segid "C " and resid 1928 and name HE% )
OR { 246}
(( segid "B " and resid 42 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 246}
(( segid "A " and resid 9 and name HD22))
( segid "C " and resid 1928 and name HE% )
OR { 246}
(( segid "A " and resid 9 and name HD23))
( segid "C " and resid 1928 and name HE% )
OR { 246}
(( segid "B " and resid 42 and name HD22))
( segid "C " and resid 1928 and name HD% )
OR { 246}
(( segid "A " and resid 9 and name HD21))
( segid "C " and resid 1928 and name HE% )
ASSI { 247}
(( segid "B " and resid 46 and name HD12))
( segid "C " and resid 1928 and name HD% )
4.600 2.700 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.40422E-02 ppm1 1.067 ppm2 7.293 CV 1
OR { 247}
(( segid "B " and resid 46 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 247}
(( segid "B " and resid 46 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 247}
(( segid "B " and resid 46 and name HD12))
( segid "C " and resid 1928 and name HE% )
ASSI { 248}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1928 and name HD% )
2.400 0.700 0.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.17471E-01 ppm1 1.038 ppm2 7.291 CV 1
OR { 248}
(( segid "B " and resid 38 and name HD23))
( segid "C " and resid 1928 and name HD% )
OR { 248}
(( segid "B " and resid 38 and name HD12))
( segid "C " and resid 1928 and name HD% )
OR { 248}
(( segid "B " and resid 38 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 248}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1928 and name HD% )
OR { 248}
(( segid "B " and resid 38 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 248}
(( segid "B " and resid 38 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 248}
(( segid "B " and resid 38 and name HD11))
( segid "C " and resid 1928 and name HE% )
OR { 248}
(( segid "B " and resid 38 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 248}
(( segid "B " and resid 38 and name HD22))
( segid "C " and resid 1928 and name HE% )
OR { 248}
(( segid "B " and resid 38 and name HD21))
( segid "C " and resid 1928 and name HE% )
ASSI { 249}
( segid "C " and resid 1921 and name HD2%)
( segid "C " and resid 1928 and name HE% )
2.500 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14241E-01 ppm1 0.903 ppm2 7.290 CV 1
OR { 249}
( segid "C " and resid 1929 and name HG1%)
( segid "C " and resid 1928 and name HD% )
OR { 249}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 249}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1928 and name HE% )
OR { 249}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 249}
(( segid "B " and resid 58 and name HD13))
( segid "C " and resid 1928 and name HD% )
OR { 249}
(( segid "B " and resid 58 and name HD12))
( segid "C " and resid 1928 and name HD% )
OR { 249}
(( segid "B " and resid 58 and name HD11))
( segid "C " and resid 1928 and name HD% )
ASSI { 250}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1928 and name HD% )
2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.72821E-02 ppm1 0.832 ppm2 7.291 CV 1
OR { 250}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1928 and name HD% )
OR { 250}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1928 and name HD% )
OR { 250}
(( segid "B " and resid 58 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 250}
(( segid "B " and resid 58 and name HD23))
( segid "C " and resid 1928 and name HE% )
OR { 250}
(( segid "B " and resid 58 and name HD22))
( segid "C " and resid 1928 and name HE% )
ASSI { 251}
(( segid "B " and resid 82 and name HG12))
( segid "C " and resid 1928 and name HE% )
3.200 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 0.562 ppm2 7.287 CV 1
OR { 251}
(( segid "B " and resid 82 and name HG12))
( segid "C " and resid 1928 and name HD% )
ASSI { 252}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1928 and name HE% )
3.900 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.25732E-02 ppm1 0.258 ppm2 7.290 CV 1
OR { 252}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1928 and name HE% )
OR { 252}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1928 and name HE% )
OR { 252}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1928 and name HD% )
ASSI { 253}
(( segid "B " and resid 82 and name HG13))
( segid "C " and resid 1928 and name HE% )
5.300 3.500 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.88553E-03 ppm1 0.486 ppm2 7.285 CV 1
OR { 253}
(( segid "B " and resid 82 and name HG13))
( segid "C " and resid 1928 and name HD% )
ASSI { 255}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1928 and name HE% )
4.200 2.200 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.84385E-03 ppm1 0.419 ppm2 7.281 CV 1
OR { 255}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1928 and name HE% )
OR { 255}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1928 and name HE% )
OR { 255}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1928 and name HD% )
ASSI { 256}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1928 and name HZ ))
3.000 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 0.931 ppm2 7.207 CV 1
OR { 256}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1928 and name HZ ))
ASSI { 258}
(( segid "B " and resid 38 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
3.300 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.75843E-02 ppm1 1.040 ppm2 7.204 CV 1
OR { 258}
(( segid "B " and resid 38 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 258}
(( segid "B " and resid 38 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
OR { 258}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
OR { 258}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
OR { 258}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 259}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1928 and name HZ ))
3.700 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 0.956 ppm2 7.205 CV 1
OR { 259}
(( segid "B " and resid 46 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 260}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1928 and name HZ ))
2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.61778E-02 ppm1 0.903 ppm2 7.204 CV 1
OR { 260}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
OR { 260}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 260}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 261}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1928 and name HZ ))
4.200 2.200 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.26878E-02 ppm1 0.867 ppm2 7.204 CV 1
ASSI { 262}
(( segid "A " and resid 9 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
4.100 2.100 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.56049E-02 ppm1 0.831 ppm2 7.204 CV 1
OR { 262}
(( segid "B " and resid 58 and name HD21))
(( segid "C " and resid 1928 and name HZ ))
OR { 262}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1928 and name HZ ))
OR { 262}
(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HZ ))
OR { 262}
(( segid "A " and resid 9 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 263}
(( segid "B " and resid 82 and name HG12))
(( segid "C " and resid 1928 and name HZ ))
3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.87511E-03 ppm1 0.556 ppm2 7.200 CV 1
OR { 263}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 264}
(( segid "B " and resid 82 and name HG21))
(( segid "C " and resid 1928 and name HZ ))
5.600 3.900 0.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.91678E-03 ppm1 0.257 ppm2 7.200 CV 1
OR { 264}
(( segid "B " and resid 82 and name HG23))
(( segid "C " and resid 1928 and name HZ ))
OR { 264}
(( segid "B " and resid 82 and name HG22))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 265}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1928 and name HE% )
2.900 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.31983E-02 ppm1 -0.154 ppm2 7.292 CV 1
OR { 265}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1928 and name HE% )
OR { 265}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1928 and name HE% )
OR { 265}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1928 and name HD% )
ASSI { 267}
(( segid "B " and resid 82 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
3.400 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.10835E-02 ppm1 -0.164 ppm2 7.200 CV 1
OR { 267}
(( segid "B " and resid 82 and name HD11))
(( segid "C " and resid 1928 and name HZ ))
OR { 267}
(( segid "B " and resid 82 and name HD13))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 268}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HD22))
3.600 1.600 1.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.34171E-02 ppm1 1.160 ppm2 7.433 CV 1
ASSI { 269}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HD21))
3.100 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.55736E-02 ppm1 1.163 ppm2 7.824 CV 1
ASSI { 270}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name H ))
5.500 3.800 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 1.159 ppm2 7.691 CV 1
OR { 270}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name H ))
OR { 270}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name H ))
ASSI { 271}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1912 and name H ))
4.700 2.700 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.82302E-03 ppm1 1.171 ppm2 7.613 CV 1
ASSI { 273}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1917 and name H ))
4.200 2.300 1.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.37088E-02 ppm1 1.164 ppm2 8.141 CV 1
ASSI { 276}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name H ))
3.900 1.900 1.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.56986E-02 ppm1 1.022 ppm2 8.139 CV 1
ASSI { 277}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1903 and name H ))
4.400 2.400 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24795E-02 ppm1 0.962 ppm2 8.139 CV 1
OR { 277}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name H ))
OR { 277}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name H ))
OR { 277}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name H ))
ASSI { 278}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1921 and name H ))
4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.25837E-02 ppm1 1.018 ppm2 8.304 CV 1
ASSI { 279}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name H ))
3.900 1.900 1.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.37817E-02 ppm1 1.021 ppm2 7.832 CV 1
OR { 279}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1920 and name H ))
ASSI { 280}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1916 and name H ))
4.800 2.900 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 0.984 ppm2 7.837 CV 1
OR { 280}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1911 and name HD21))
ASSI { 281}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HD21))
2.600 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.29170E-02 ppm1 0.962 ppm2 7.830 CV 1
OR { 281}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HD21))
OR { 281}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HD21))
ASSI { 282}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1920 and name H ))
5.000 3.100 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 0.934 ppm2 7.825 CV 1
ASSI { 283}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1922 and name H ))
4.800 2.900 1.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 0.932 ppm2 7.689 CV 1
OR { 283}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1922 and name H ))
ASSI { 284}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1922 and name H ))
4.900 3.000 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 0.906 ppm2 7.684 CV 1
ASSI { 285}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1912 and name H ))
4.300 2.300 1.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.11356E-02 ppm1 0.950 ppm2 7.619 CV 1
OR { 285}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1923 and name H ))
ASSI { 286}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1930 and name H ))
3.600 1.600 1.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.70113E-02 ppm1 0.883 ppm2 8.006 CV 1
OR { 286}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name H ))
OR { 286}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1926 and name H ))
ASSI { 287}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1930 and name H ))
3.900 1.900 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.43130E-02 ppm1 0.788 ppm2 8.006 CV 1
ASSI { 290}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1928 and name H ))
3.400 1.500 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 0.954 ppm2 7.044 CV 1
ASSI { 291}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1928 and name H ))
4.800 2.900 1.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 0.871 ppm2 7.037 CV 1
ASSI { 292}
(( segid "C " and resid 1927 and name HG2 ))
( segid "C " and resid 1928 and name HD% )
3.600 1.600 1.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 1.358 ppm2 7.298 CV 1
OR { 292}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
OR { 292}
(( segid "C " and resid 1927 and name HG2 ))
( segid "C " and resid 1928 and name HE% )
OR { 292}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1928 and name HE% )
ASSI { 293}
(( segid "C " and resid 1927 and name HG2 ))
( segid "C " and resid 1928 and name HD% )
3.400 1.500 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.47402E-02 ppm1 1.333 ppm2 7.297 CV 1
OR { 293}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
OR { 293}
(( segid "C " and resid 1927 and name HG2 ))
( segid "C " and resid 1928 and name HE% )
OR { 293}
(( segid "C " and resid 1926 and name HB3 ))
( segid "C " and resid 1928 and name HE% )
OR { 293}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
ASSI { 294}
(( segid "C " and resid 1927 and name HG2 ))
(( segid "C " and resid 1928 and name H ))
2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.22919E-02 ppm1 1.346 ppm2 7.040 CV 1
ASSI { 298}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name H ))
3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 1.161 ppm2 9.004 CV 1
OR { 298}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name H ))
ASSI { 299}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name H ))
3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.26253E-02 ppm1 0.964 ppm2 9.004 CV 1
OR { 299}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name H ))
OR { 299}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name H ))
ASSI { 303}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1918 and name H ))
4.500 2.600 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 1.162 ppm2 8.908 CV 1
OR { 303}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1908 and name H ))
OR { 303}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1918 and name H ))
OR { 303}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1918 and name H ))
ASSI { 306}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1918 and name H ))
4.100 2.100 1.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 0.988 ppm2 8.896 CV 1
ASSI { 307}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name H ))
2.600 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12825E-01 ppm1 1.169 ppm2 8.809 CV 1
ASSI { 308}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name H ))
3.400 1.500 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 1.022 ppm2 8.809 CV 1
OR { 308}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name H ))
OR { 308}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name H ))
ASSI { 317}
(( segid "C " and resid 1928 and name HB2 ))
(( segid "C " and resid 1928 and name HA ))
2.500 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.48131E-02 ppm1 3.092 ppm2 5.322 CV 1
ASSI { 318}
(( segid "C " and resid 1928 and name HB3 ))
(( segid "C " and resid 1928 and name HA ))
3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.35838E-02 ppm1 3.024 ppm2 5.321 CV 1
ASSI { 319}
(( segid "B " and resid 46 and name HD22))
(( segid "C " and resid 1928 and name HA ))
4.700 2.800 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 0.964 ppm2 5.324 CV 1
OR { 319}
(( segid "B " and resid 46 and name HD21))
(( segid "C " and resid 1928 and name HA ))
OR { 319}
(( segid "B " and resid 46 and name HD23))
(( segid "C " and resid 1928 and name HA ))
ASSI { 320}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1928 and name HA ))
4.300 2.300 1.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 0.884 ppm2 5.318 CV 1
ASSI { 321}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1928 and name HA ))
3.700 1.700 1.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.22294E-02 ppm1 0.787 ppm2 5.320 CV 1
ASSI { 322}
(( segid "C " and resid 1927 and name HB3 ))
(( segid "C " and resid 1927 and name HD3 ))
4.100 2.100 1.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 1.885 ppm2 3.703 CV 1
OR { 322}
(( segid "C " and resid 1927 and name HB2 ))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 323}
(( segid "C " and resid 1927 and name HG3 ))
(( segid "C " and resid 1927 and name HD3 ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.32191E-02 ppm1 1.611 ppm2 3.702 CV 1
ASSI { 324}
(( segid "C " and resid 1927 and name HG2 ))
(( segid "C " and resid 1927 and name HD3 ))
3.500 1.500 1.500 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32296E-02 ppm1 1.354 ppm2 3.703 CV 1
ASSI { 325}
(( segid "C " and resid 1927 and name HG2 ))
(( segid "C " and resid 1927 and name HD3 ))
3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.28337E-02 ppm1 1.337 ppm2 3.701 CV 1
OR { 325}
(( segid "C " and resid 1926 and name HB3 ))
(( segid "C " and resid 1927 and name HD3 ))
OR { 325}
(( segid "B " and resid 54 and name HB3 ))
(( segid "C " and resid 1927 and name HD3 ))
OR { 325}
(( segid "B " and resid 54 and name HB1 ))
(( segid "C " and resid 1927 and name HD3 ))
ASSI { 327}
(( segid "C " and resid 1927 and name HD2 ))
(( segid "C " and resid 1927 and name HG2 ))
2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.54069E-02 ppm1 3.253 ppm2 1.354 CV 1
ASSI { 328}
(( segid "C " and resid 1926 and name H ))
( segid "C " and resid 1926 and name HD1%)
3.500 1.600 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.50319E-02 ppm1 7.992 ppm2 0.950 CV 1
ASSI { 329}
(( segid "C " and resid 1926 and name H ))
( segid "C " and resid 1926 and name HD2%)
3.600 1.600 1.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.50631E-02 ppm1 7.990 ppm2 0.869 CV 1
ASSI { 335}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HG ))
2.100 0.500 0.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15919E-01 ppm1 0.868 ppm2 1.684 CV 1
ASSI { 336}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HB2 ))
3.000 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.48027E-02 ppm1 0.867 ppm2 1.853 CV 1
ASSI { 337}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name HB2 ))
2.400 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.12335E-01 ppm1 0.950 ppm2 1.848 CV 1
ASSI { 339}
(( segid "C " and resid 1926 and name HB3 ))
(( segid "C " and resid 1926 and name HB2 ))
1.800 0.400 0.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12679E-01 ppm1 1.348 ppm2 1.860 CV 1
ASSI { 340}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1900 and name HG ))
2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 0.866 ppm2 2.149 CV 1
OR { 340}
(( segid "A " and resid 58 and name HD13))
(( segid "C " and resid 1900 and name HG ))
OR { 340}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1900 and name HG ))
ASSI { 341}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1923 and name HB3 ))
2.400 2.400 3.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.47610E-02 ppm1 0.866 ppm2 2.077 CV 1
ASSI { 342}
(( segid "A " and resid 58 and name HD11))
( segid "C " and resid 1904 and name HG2%)
2.300 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.10533E-01 ppm1 0.868 ppm2 1.489 CV 1
OR { 342}
(( segid "A " and resid 58 and name HD12))
( segid "C " and resid 1904 and name HG2%)
OR { 342}
(( segid "A " and resid 58 and name HD13))
( segid "C " and resid 1904 and name HG2%)
ASSI { 343}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1927 and name HG3 ))
4.100 2.100 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.57611E-02 ppm1 0.869 ppm2 1.622 CV 1
ASSI { 346}
(( segid "C " and resid 1926 and name HG ))
( segid "C " and resid 1926 and name HD1%)
2.100 0.500 0.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.28160E-01 ppm1 1.689 ppm2 0.943 CV 1
ASSI { 349}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1923 and name HB2 ))
4.700 2.700 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.17190E-02 ppm1 8.255 ppm2 1.938 CV 1
OR { 349}
(( segid "A " and resid 49 and name H ))
(( segid "C " and resid 1898 and name HB3 ))
OR { 349}
(( segid "A " and resid 51 and name H ))
(( segid "C " and resid 1898 and name HB3 ))
ASSI { 350}
(( segid "B " and resid 80 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
4.200 2.200 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 8.253 ppm2 1.833 CV 1
OR { 350}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1922 and name HG2 ))
OR { 350}
(( segid "A " and resid 73 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
OR { 350}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1923 and name HG3 ))
ASSI { 351}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1926 and name HG ))
4.600 2.700 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 8.252 ppm2 1.678 CV 1
OR { 351}
(( segid "B " and resid 59 and name H ))
(( segid "C " and resid 1926 and name HG ))
OR { 351}
(( segid "B " and resid 80 and name H ))
(( segid "C " and resid 1918 and name HD2 ))
OR { 351}
(( segid "A " and resid 73 and name H ))
(( segid "C " and resid 1918 and name HD2 ))
ASSI { 352}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1923 and name HA ))
4.500 2.500 1.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 8.253 ppm2 4.429 CV 1
ASSI { 353}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1924 and name HA2 ))
2.700 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11949E-01 ppm1 8.039 ppm2 4.096 CV 1
ASSI { 354}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1924 and name HA3 ))
3.900 1.900 1.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.29587E-02 ppm1 8.038 ppm2 4.058 CV 1
ASSI { 355}
(( segid "B " and resid 45 and name H ))
(( segid "C " and resid 1930 and name HA ))
3.600 1.600 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.19773E-01 ppm1 8.038 ppm2 4.308 CV 1
ASSI { 358}
(( segid "B " and resid 57 and name HD3 ))
(( segid "C " and resid 1924 and name H ))
3.000 3.000 3.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.33858E-02 ppm1 1.752 ppm2 8.034 CV 1
OR { 358}
(( segid "A " and resid 83 and name HB3 ))
(( segid "C " and resid 1909 and name H ))
OR { 358}
(( segid "A " and resid 83 and name HB2 ))
(( segid "C " and resid 1909 and name H ))
OR { 358}
(( segid "A " and resid 83 and name HB1 ))
(( segid "C " and resid 1909 and name H ))
OR { 358}
(( segid "A " and resid 87 and name HB3 ))
(( segid "C " and resid 1909 and name H ))
OR { 358}
(( segid "C " and resid 1898 and name HG2 ))
(( segid "C " and resid 1909 and name H ))
OR { 358}
(( segid "C " and resid 1898 and name HG3 ))
(( segid "C " and resid 1909 and name H ))
ASSI { 360}
(( segid "C " and resid 1926 and name HG ))
(( segid "C " and resid 1924 and name H ))
3.300 1.400 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.41672E-02 ppm1 1.672 ppm2 8.033 CV 1
OR { 360}
(( segid "C " and resid 1921 and name HB3 ))
(( segid "C " and resid 1924 and name H ))
ASSI { 361}
(( segid "C " and resid 1909 and name H ))
( segid "C " and resid 1907 and name HB% )
3.600 1.700 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.84802E-02 ppm1 8.038 ppm2 1.667 CV 1
ASSI { 363}
(( segid "B " and resid 45 and name H ))
( segid "C " and resid 1930 and name HG1%)
5.300 3.500 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 8.035 ppm2 0.961 CV 1
ASSI { 364}
(( segid "B " and resid 60 and name H ))
( segid "C " and resid 1926 and name HD2%)
4.400 2.500 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.25941E-02 ppm1 8.039 ppm2 0.881 CV 1
OR { 364}
(( segid "C " and resid 1924 and name H ))
( segid "C " and resid 1929 and name HG1%)
OR { 364}
(( segid "C " and resid 1924 and name H ))
( segid "C " and resid 1926 and name HD2%)
ASSI { 365}
(( segid "B " and resid 45 and name H ))
( segid "C " and resid 1930 and name HG2%)
6.000 4.600 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.28337E-02 ppm1 8.037 ppm2 1.035 CV 1
ASSI { 367}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1921 and name HA ))
4.100 2.100 1.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.13752E-02 ppm1 8.035 ppm2 4.245 CV 1
ASSI { 368}
(( segid "C " and resid 1912 and name H ))
( segid "C " and resid 1914 and name HG1%)
4.400 2.400 1.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 7.620 ppm2 1.178 CV 1
OR { 368}
(( segid "B " and resid 81 and name H ))
( segid "C " and resid 1914 and name HG1%)
OR { 368}
(( segid "B " and resid 81 and name H ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 370}
(( segid "C " and resid 1923 and name HB2 ))
(( segid "C " and resid 1923 and name H ))
2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10355E-01 ppm1 1.955 ppm2 7.616 CV 1
OR { 370}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name H ))
ASSI { 375}
(( segid "C " and resid 1923 and name HB3 ))
(( segid "C " and resid 1923 and name HA ))
3.000 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.11637E-01 ppm1 2.068 ppm2 4.423 CV 1
ASSI { 376}
(( segid "C " and resid 1923 and name HG3 ))
(( segid "C " and resid 1923 and name HA ))
3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.79281E-02 ppm1 1.831 ppm2 4.398 CV 1
ASSI { 377}
(( segid "C " and resid 1922 and name HB2 ))
(( segid "C " and resid 1922 and name HA ))
2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.13866E-01 ppm1 2.099 ppm2 4.392 CV 1
ASSI { 378}
(( segid "C " and resid 1923 and name HG2 ))
(( segid "C " and resid 1923 and name HA ))
3.500 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.34379E-02 ppm1 1.789 ppm2 4.423 CV 1
ASSI { 379}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1923 and name H ))
2.600 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.52090E-02 ppm1 7.675 ppm2 7.614 CV 1
ASSI { 380}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1909 and name HA ))
2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.10085E-01 ppm1 7.619 ppm2 4.132 CV 1
OR { 380}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1920 and name HA ))
ASSI { 382}
(( segid "B " and resid 78 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.200 2.200 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.17919E-02 ppm1 7.683 ppm2 1.178 CV 1
ASSI { 383}
(( segid "C " and resid 1922 and name H ))
( segid "C " and resid 1921 and name HD1%)
4.400 2.400 1.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.30837E-02 ppm1 7.683 ppm2 0.927 CV 1
ASSI { 388}
(( segid "C " and resid 1922 and name HB3 ))
(( segid "C " and resid 1922 and name HA ))
2.600 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12074E-01 ppm1 2.008 ppm2 4.392 CV 1
ASSI { 389}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HA ))
3.400 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.44485E-02 ppm1 1.902 ppm2 4.394 CV 1
ASSI { 390}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1920 and name HA ))
4.000 2.000 2.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 7.682 ppm2 4.133 CV 1
ASSI { 391}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1919 and name HA ))
3.500 1.500 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17919E-02 ppm1 7.684 ppm2 4.585 CV 1
ASSI { 392}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1918 and name HA ))
4.100 2.100 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 7.685 ppm2 3.913 CV 1
ASSI { 393}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1921 and name HB3 ))
3.600 1.600 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.41984E-02 ppm1 8.310 ppm2 1.691 CV 1
ASSI { 394}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1921 and name HB2 ))
2.400 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.83344E-02 ppm1 8.310 ppm2 1.998 CV 1
ASSI { 397}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1921 and name H ))
4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.27920E-02 ppm1 2.096 ppm2 8.304 CV 1
ASSI { 398}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1921 and name H ))
4.300 2.300 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23128E-02 ppm1 2.072 ppm2 8.305 CV 1
ASSI { 399}
(( segid "C " and resid 1920 and name HB2 ))
(( segid "C " and resid 1921 and name H ))
3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.50527E-02 ppm1 1.941 ppm2 8.305 CV 1
OR { 399}
(( segid "C " and resid 1920 and name HB3 ))
(( segid "C " and resid 1921 and name H ))
ASSI { 402}
(( segid "C " and resid 1921 and name HB3 ))
(( segid "C " and resid 1921 and name HA ))
2.100 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11397E-01 ppm1 1.693 ppm2 4.249 CV 1
ASSI { 403}
(( segid "C " and resid 1921 and name HB2 ))
(( segid "C " and resid 1921 and name HA ))
2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.16356E-01 ppm1 2.003 ppm2 4.252 CV 1
ASSI { 404}
(( segid "C " and resid 1920 and name HB2 ))
(( segid "C " and resid 1917 and name HA ))
3.600 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.76259E-02 ppm1 1.951 ppm2 4.248 CV 1
OR { 404}
(( segid "C " and resid 1920 and name HB3 ))
(( segid "C " and resid 1917 and name HA ))
OR { 404}
(( segid "C " and resid 1920 and name HB2 ))
(( segid "C " and resid 1921 and name HA ))
ASSI { 405}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1921 and name HA ))
2.000 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.28681E-01 ppm1 0.904 ppm2 4.244 CV 1
ASSI { 406}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1918 and name HA ))
3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 8.309 ppm2 3.913 CV 1
ASSI { 407}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HD21))
1.700 0.300 0.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13773E-01 ppm1 7.435 ppm2 7.830 CV 1
ASSI { 410}
(( segid "C " and resid 1911 and name HD21))
(( segid "C " and resid 1911 and name HB2 ))
2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 7.828 ppm2 3.163 CV 1
ASSI { 411}
(( segid "C " and resid 1911 and name HD21))
(( segid "C " and resid 1911 and name HB3 ))
3.900 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 7.831 ppm2 2.699 CV 1
ASSI { 412}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HB2 ))
3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.36150E-02 ppm1 7.436 ppm2 3.155 CV 1
ASSI { 413}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HB3 ))
4.100 2.100 1.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.30525E-02 ppm1 7.435 ppm2 2.700 CV 1
ASSI { 415}
(( segid "C " and resid 1911 and name HD21))
( segid "C " and resid 1907 and name HB% )
4.700 2.800 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.33858E-02 ppm1 7.831 ppm2 1.654 CV 1
ASSI { 416}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1921 and name HB3 ))
4.700 2.700 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.26670E-02 ppm1 7.837 ppm2 1.691 CV 1
OR { 416}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1926 and name HG ))
ASSI { 417}
(( segid "C " and resid 1920 and name H ))
( segid "C " and resid 1917 and name HD2%)
4.100 2.100 1.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25211E-02 ppm1 7.836 ppm2 1.012 CV 1
ASSI { 418}
(( segid "C " and resid 1920 and name H ))
( segid "C " and resid 1921 and name HD2%)
4.800 2.900 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.16044E-02 ppm1 7.836 ppm2 0.922 CV 1
OR { 418}
(( segid "C " and resid 1920 and name H ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 419}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HB2 ))
3.400 1.400 1.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.41568E-02 ppm1 7.835 ppm2 1.936 CV 1
OR { 419}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HB3 ))
ASSI { 423}
(( segid "C " and resid 1921 and name HB3 ))
(( segid "C " and resid 1920 and name H ))
4.600 2.700 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.21148E-02 ppm1 1.694 ppm2 7.835 CV 1
OR { 423}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1911 and name HD21))
ASSI { 425}
(( segid "C " and resid 1912 and name HB3 ))
(( segid "C " and resid 1913 and name H ))
3.500 1.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.58653E-02 ppm1 2.074 ppm2 7.828 CV 1
OR { 425}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1920 and name H ))
ASSI { 428}
(( segid "C " and resid 1920 and name HG3 ))
(( segid "C " and resid 1920 and name HA ))
3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11908E-01 ppm1 1.833 ppm2 4.134 CV 1
ASSI { 429}
(( segid "C " and resid 1920 and name HG2 ))
(( segid "C " and resid 1920 and name HA ))
2.900 1.100 1.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.79176E-02 ppm1 1.527 ppm2 4.126 CV 1
ASSI { 430}
(( segid "C " and resid 1920 and name HB3 ))
(( segid "C " and resid 1920 and name HA ))
2.600 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.10178E-01 ppm1 1.936 ppm2 4.132 CV 1
OR { 430}
(( segid "C " and resid 1920 and name HB2 ))
(( segid "C " and resid 1920 and name HA ))
ASSI { 431}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1918 and name HA ))
3.600 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 7.836 ppm2 3.912 CV 1
ASSI { 432}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1917 and name HA ))
3.000 1.100 1.100 peak 432 spectrum 1 weight 0.10000E+01 volume 0.78864E-02 ppm1 7.834 ppm2 4.265 CV 1
ASSI { 433}
(( segid "C " and resid 1923 and name HB3 ))
(( segid "C " and resid 1920 and name HA ))
2.600 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.16200E-01 ppm1 1.994 ppm2 4.252 CV 1
ASSI { 434}
(( segid "C " and resid 1912 and name HB2 ))
(( segid "C " and resid 1909 and name HA ))
2.900 2.900 3.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.80322E-02 ppm1 2.148 ppm2 4.131 CV 1
ASSI { 435}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1909 and name HA ))
2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.57882E-01 ppm1 1.578 ppm2 4.129 CV 1
ASSI { 436}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1919 and name H ))
2.900 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.46568E-02 ppm1 2.081 ppm2 7.484 CV 1
ASSI { 437}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1919 and name H ))
3.800 1.800 1.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.19377E-02 ppm1 1.537 ppm2 7.488 CV 1
OR { 437}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1919 and name H ))
ASSI { 438}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1916 and name HA ))
3.900 1.900 1.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.18752E-02 ppm1 7.486 ppm2 4.376 CV 1
ASSI { 439}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
2.800 2.800 3.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.18856E-02 ppm1 7.483 ppm2 4.099 CV 1
ASSI { 440}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1917 and name HA ))
3.900 1.900 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 7.483 ppm2 4.268 CV 1
ASSI { 442}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1914 and name HA ))
3.300 1.400 1.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 8.904 ppm2 3.601 CV 1
ASSI { 443}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
2.500 2.500 3.500 peak 443 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 8.905 ppm2 4.090 CV 1
ASSI { 444}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
4.600 2.700 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 8.909 ppm2 2.558 CV 1
OR { 444}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
OR { 444}
(( segid "A " and resid 84 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 445}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1921 and name HD1%)
4.800 2.800 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 8.907 ppm2 0.929 CV 1
ASSI { 450}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name H ))
4.300 2.400 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.22294E-02 ppm1 1.540 ppm2 8.901 CV 1
OR { 450}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name H ))
ASSI { 452}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1908 and name H ))
4.600 2.700 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 1.578 ppm2 8.911 CV 1
ASSI { 453}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name H ))
5.100 3.300 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 1.681 ppm2 8.906 CV 1
ASSI { 454}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HA ))
2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.93657E-02 ppm1 1.545 ppm2 3.910 CV 1
OR { 454}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HA ))
ASSI { 455}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name HA ))
1.800 0.400 0.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13179E-01 ppm1 2.093 ppm2 3.914 CV 1
ASSI { 456}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name HA ))
2.300 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13939E-01 ppm1 2.073 ppm2 3.914 CV 1
ASSI { 457}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HE3 ))
2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.17523E-01 ppm1 1.540 ppm2 3.048 CV 1
OR { 457}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HE2 ))
OR { 457}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HE3 ))
OR { 457}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HE2 ))
ASSI { 458}
(( segid "C " and resid 1921 and name HB2 ))
(( segid "C " and resid 1918 and name HA ))
3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 2.000 ppm2 3.909 CV 1
ASSI { 459}
(( segid "C " and resid 1921 and name HB3 ))
(( segid "C " and resid 1918 and name HA ))
4.100 2.100 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.25003E-02 ppm1 1.682 ppm2 3.911 CV 1
ASSI { 460}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1918 and name HA ))
2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.83656E-02 ppm1 0.933 ppm2 3.914 CV 1
ASSI { 461}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1918 and name HA ))
4.300 2.300 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23545E-02 ppm1 0.906 ppm2 3.916 CV 1
ASSI { 462}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1918 and name HA ))
5.000 3.100 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15939E-02 ppm1 0.985 ppm2 3.911 CV 1
ASSI { 463}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1918 and name HA ))
3.800 1.800 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.22815E-02 ppm1 1.020 ppm2 3.913 CV 1
OR { 463}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1918 and name HA ))
OR { 463}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1918 and name HA ))
ASSI { 464}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name H ))
2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.56153E-02 ppm1 8.142 ppm2 7.846 CV 1
ASSI { 465}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1918 and name HA ))
4.700 2.700 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 8.142 ppm2 3.908 CV 1
ASSI { 466}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1907 and name HA ))
3.200 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.49173E-02 ppm1 8.143 ppm2 3.772 CV 1
ASSI { 467}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1914 and name HA ))
3.000 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.30108E-02 ppm1 8.145 ppm2 3.604 CV 1
ASSI { 468}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1911 and name HB2 ))
4.800 2.900 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 8.139 ppm2 3.150 CV 1
ASSI { 472}
(( segid "C " and resid 1917 and name HB3 ))
(( segid "C " and resid 1917 and name H ))
2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.84385E-02 ppm1 1.979 ppm2 8.138 CV 1
ASSI { 473}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1910 and name H ))
3.900 1.900 1.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.63341E-02 ppm1 1.644 ppm2 8.141 CV 1
ASSI { 476}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HA ))
3.300 1.300 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.82510E-02 ppm1 1.186 ppm2 4.261 CV 1
ASSI { 477}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name HA ))
2.300 0.700 0.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.26972E-01 ppm1 1.020 ppm2 4.264 CV 1
ASSI { 478}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name HB3 ))
2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.18086E-01 ppm1 1.022 ppm2 1.982 CV 1
ASSI { 479}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HB3 ))
2.900 1.000 1.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 1.184 ppm2 1.989 CV 1
OR { 479}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1910 and name HG2 ))
OR { 479}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1910 and name HG3 ))
OR { 479}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1917 and name HB3 ))
OR { 479}
( segid "C " and resid 1914 and name HG1%)
( segid "C " and resid 1910 and name HE% )
ASSI { 480}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HB3 ))
2.600 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.11387E-01 ppm1 1.184 ppm2 1.989 CV 1
ASSI { 481}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HB2 ))
2.600 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.79697E-02 ppm1 1.185 ppm2 1.646 CV 1
ASSI { 482}
(( segid "A " and resid 77 and name HG22))
( segid "C " and resid 1907 and name HB% )
2.300 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.18992E-01 ppm1 1.159 ppm2 1.647 CV 1
OR { 482}
(( segid "A " and resid 77 and name HG21))
( segid "C " and resid 1907 and name HB% )
OR { 482}
(( segid "A " and resid 77 and name HG23))
( segid "C " and resid 1907 and name HB% )
ASSI { 485}
(( segid "C " and resid 1917 and name HB2 ))
( segid "C " and resid 1917 and name HD2%)
3.200 1.300 1.300 peak 485 spectrum 1 weight 0.10000E+01 volume 0.68446E-02 ppm1 1.645 ppm2 1.019 CV 1
ASSI { 487}
(( segid "C " and resid 1920 and name HG3 ))
( segid "C " and resid 1917 and name HD1%)
3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13147E-01 ppm1 1.837 ppm2 1.189 CV 1
ASSI { 488}
(( segid "C " and resid 1920 and name HG3 ))
( segid "C " and resid 1917 and name HD2%)
2.300 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.16815E-01 ppm1 1.835 ppm2 1.019 CV 1
ASSI { 489}
(( segid "C " and resid 1920 and name HG3 ))
(( segid "C " and resid 1917 and name HA ))
2.000 0.500 0.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.88761E-02 ppm1 1.832 ppm2 4.263 CV 1
ASSI { 490}
(( segid "C " and resid 1920 and name HG2 ))
(( segid "C " and resid 1917 and name HA ))
2.400 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.46256E-02 ppm1 1.530 ppm2 4.260 CV 1
ASSI { 491}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
4.900 3.000 1.100 peak 491 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 7.851 ppm2 2.316 CV 1
ASSI { 492}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1912 and name HB2 ))
3.100 3.100 2.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.12189E-02 ppm1 7.854 ppm2 2.156 CV 1
ASSI { 493}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
4.000 2.000 2.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.31671E-02 ppm1 7.849 ppm2 2.075 CV 1
OR { 493}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
OR { 493}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1923 and name HB3 ))
OR { 493}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
OR { 493}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 494}
(( segid "C " and resid 1916 and name H ))
( segid "C " and resid 1914 and name HG2%)
5.100 3.300 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13022E-02 ppm1 7.857 ppm2 0.987 CV 1
ASSI { 495}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1913 and name HA ))
2.900 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.82614E-02 ppm1 7.853 ppm2 4.247 CV 1
ASSI { 496}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HA ))
3.200 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 8.445 ppm2 4.172 CV 1
ASSI { 497}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HB2 ))
2.600 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.16752E-01 ppm1 8.443 ppm2 4.095 CV 1
ASSI { 498}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HB3 ))
2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.53444E-02 ppm1 8.444 ppm2 4.030 CV 1
ASSI { 499}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1911 and name HA ))
3.900 1.900 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.28233E-02 ppm1 8.445 ppm2 4.249 CV 1
OR { 499}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1913 and name HA ))
ASSI { 500}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1915 and name HA ))
3.600 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 7.857 ppm2 4.170 CV 1
ASSI { 501}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1914 and name HA ))
4.000 2.000 2.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 7.854 ppm2 3.602 CV 1
ASSI { 502}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1912 and name HA ))
3.400 1.500 1.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.27087E-02 ppm1 7.855 ppm2 4.155 CV 1
ASSI { 503}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1916 and name HA ))
3.000 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50215E-02 ppm1 2.955 ppm2 4.372 CV 1
ASSI { 506}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1915 and name H ))
5.300 3.500 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.18127E-02 ppm1 0.961 ppm2 8.441 CV 1
OR { 506}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1915 and name H ))
OR { 506}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1915 and name H ))
ASSI { 508}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name HA ))
2.200 0.600 0.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.26420E-01 ppm1 2.278 ppm2 4.097 CV 1
OR { 508}
(( segid "C " and resid 1905 and name HB3 ))
(( segid "C " and resid 1905 and name HA ))
ASSI { 509}
(( segid "A " and resid 57 and name HD3 ))
(( segid "C " and resid 1905 and name HA ))
3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.85740E-02 ppm1 1.760 ppm2 4.097 CV 1
ASSI { 510}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1915 and name HB2 ))
3.200 1.300 1.300 peak 510 spectrum 1 weight 0.10000E+01 volume 0.10116E-01 ppm1 1.675 ppm2 4.097 CV 1
ASSI { 511}
(( segid "C " and resid 1912 and name HB2 ))
(( segid "C " and resid 1912 and name HA ))
2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.12408E-01 ppm1 2.150 ppm2 4.164 CV 1
ASSI { 512}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name HA ))
3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12293E-01 ppm1 1.699 ppm2 4.155 CV 1
ASSI { 513}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HA ))
3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.10283E-01 ppm1 1.956 ppm2 4.150 CV 1
ASSI { 514}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1915 and name HB2 ))
4.600 2.600 1.400 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20940E-02 ppm1 8.816 ppm2 4.097 CV 1
OR { 514}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
ASSI { 516}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
4.600 2.600 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.13439E-02 ppm1 8.815 ppm2 2.058 CV 1
OR { 516}
(( segid "B " and resid 83 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
ASSI { 517}
(( segid "C " and resid 1914 and name H ))
( segid "C " and resid 1910 and name HE% )
5.700 4.100 0.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.11356E-02 ppm1 8.813 ppm2 2.025 CV 1
ASSI { 518}
(( segid "C " and resid 1913 and name HB3 ))
(( segid "C " and resid 1914 and name H ))
3.900 1.900 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.44901E-02 ppm1 2.321 ppm2 8.810 CV 1
ASSI { 520}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name H ))
4.600 2.700 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.14689E-02 ppm1 0.963 ppm2 8.810 CV 1
OR { 520}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name H ))
OR { 520}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name H ))
ASSI { 521}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name HA ))
2.500 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.22440E-01 ppm1 1.170 ppm2 3.600 CV 1
ASSI { 522}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1914 and name HA ))
2.900 1.100 1.100 peak 522 spectrum 1 weight 0.10000E+01 volume 0.22982E-01 ppm1 1.022 ppm2 3.600 CV 1
ASSI { 523}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1914 and name HA ))
2.100 0.500 0.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.15366E-01 ppm1 0.988 ppm2 3.600 CV 1
ASSI { 524}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1914 and name HA ))
3.900 1.900 1.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.39067E-02 ppm1 1.191 ppm2 3.604 CV 1
ASSI { 525}
(( segid "C " and resid 1917 and name HB2 ))
(( segid "C " and resid 1914 and name HA ))
3.700 1.700 1.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.19898E-02 ppm1 1.641 ppm2 3.602 CV 1
ASSI { 526}
(( segid "C " and resid 1913 and name HB2 ))
(( segid "C " and resid 1914 and name HA ))
4.200 2.300 1.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.28545E-02 ppm1 2.318 ppm2 3.604 CV 1
OR { 526}
(( segid "C " and resid 1913 and name HB3 ))
(( segid "C " and resid 1914 and name HA ))
ASSI { 527}
(( segid "B " and resid 81 and name HG ))
(( segid "C " and resid 1914 and name HA ))
3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.40317E-02 ppm1 2.561 ppm2 3.595 CV 1
OR { 527}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "C " and resid 1914 and name HA ))
ASSI { 528}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name HB ))
2.100 0.500 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.14231E-01 ppm1 1.170 ppm2 2.168 CV 1
ASSI { 529}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1914 and name HB ))
1.900 0.500 0.500 peak 529 spectrum 1 weight 0.10000E+01 volume 0.17773E-01 ppm1 0.986 ppm2 2.168 CV 1
ASSI { 530}
( segid "C " and resid 1914 and name HG2%)
( segid "C " and resid 1914 and name HG1%)
1.900 0.500 0.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.35296E-01 ppm1 0.987 ppm2 1.169 CV 1
ASSI { 534}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1912 and name HA ))
4.200 2.200 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.90636E-03 ppm1 8.812 ppm2 4.153 CV 1
ASSI { 535}
(( segid "C " and resid 1917 and name HB3 ))
(( segid "C " and resid 1914 and name HA ))
2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.25628E-02 ppm1 1.981 ppm2 3.596 CV 1
ASSI { 538}
(( segid "C " and resid 1913 and name HB3 ))
(( segid "C " and resid 1913 and name H ))
3.000 1.100 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.71363E-02 ppm1 2.319 ppm2 7.812 CV 1
OR { 538}
(( segid "C " and resid 1913 and name HB2 ))
(( segid "C " and resid 1913 and name H ))
ASSI { 540}
(( segid "C " and resid 1913 and name HB3 ))
(( segid "C " and resid 1913 and name HA ))
2.400 0.700 0.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.21794E-01 ppm1 2.320 ppm2 4.247 CV 1
OR { 540}
(( segid "C " and resid 1913 and name HB2 ))
(( segid "C " and resid 1913 and name HA ))
ASSI { 541}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "C " and resid 1913 and name HA ))
3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.68342E-02 ppm1 2.501 ppm2 4.247 CV 1
ASSI { 542}
(( segid "C " and resid 1914 and name HB ))
(( segid "C " and resid 1911 and name HA ))
2.300 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.60632E-02 ppm1 2.166 ppm2 4.247 CV 1
ASSI { 543}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HA ))
1.700 0.400 0.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.20503E-01 ppm1 1.166 ppm2 4.249 CV 1
ASSI { 544}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1910 and name HA ))
2.200 0.600 0.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.77093E-02 ppm1 2.278 ppm2 4.250 CV 1
ASSI { 545}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1911 and name HA ))
2.600 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.96054E-02 ppm1 2.699 ppm2 4.247 CV 1
ASSI { 546}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1917 and name HD1%)
3.200 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13262E-01 ppm1 2.563 ppm2 1.177 CV 1
OR { 546}
(( segid "C " and resid 1913 and name HG3 ))
( segid "C " and resid 1914 and name HG1%)
OR { 546}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1914 and name HG1%)
OR { 546}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1917 and name HD1%)
OR { 546}
(( segid "C " and resid 1913 and name HG3 ))
( segid "C " and resid 1917 and name HD1%)
OR { 546}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1914 and name HG1%)
ASSI { 547}
(( segid "B " and resid 77 and name HB ))
( segid "C " and resid 1917 and name HD1%)
3.800 1.800 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.53757E-02 ppm1 2.316 ppm2 1.174 CV 1
OR { 547}
(( segid "B " and resid 77 and name HB ))
( segid "C " and resid 1914 and name HG1%)
OR { 547}
(( segid "C " and resid 1913 and name HB2 ))
( segid "C " and resid 1917 and name HD1%)
OR { 547}
(( segid "C " and resid 1913 and name HB2 ))
( segid "C " and resid 1914 and name HG1%)
OR { 547}
(( segid "C " and resid 1913 and name HB3 ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 548}
(( segid "B " and resid 85 and name HB3 ))
( segid "C " and resid 1930 and name HG2%)
3.200 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.49589E-02 ppm1 2.325 ppm2 1.020 CV 1
OR { 548}
(( segid "B " and resid 61 and name HB3 ))
( segid "C " and resid 1917 and name HD2%)
OR { 548}
(( segid "C " and resid 1913 and name HB2 ))
( segid "C " and resid 1917 and name HD2%)
ASSI { 549}
(( segid "B " and resid 81 and name HG ))
( segid "C " and resid 1914 and name HG2%)
3.000 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.47818E-02 ppm1 2.563 ppm2 0.989 CV 1
OR { 549}
(( segid "C " and resid 1913 and name HG3 ))
( segid "C " and resid 1914 and name HG2%)
OR { 549}
(( segid "A " and resid 76 and name HB3 ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 550}
(( segid "B " and resid 81 and name HB3 ))
( segid "C " and resid 1921 and name HD1%)
2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.57299E-02 ppm1 2.569 ppm2 0.930 CV 1
ASSI { 551}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1909 and name HA ))
3.600 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.36984E-02 ppm1 7.814 ppm2 4.127 CV 1
ASSI { 552}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
4.500 2.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 7.617 ppm2 2.565 CV 1
OR { 552}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 553}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
4.700 2.800 1.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 7.613 ppm2 2.286 CV 1
ASSI { 554}
(( segid "C " and resid 1912 and name H ))
( segid "C " and resid 1909 and name HB% )
4.800 2.800 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 7.615 ppm2 1.581 CV 1
ASSI { 555}
(( segid "B " and resid 81 and name H ))
( segid "C " and resid 1921 and name HD1%)
5.200 3.400 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 7.620 ppm2 0.930 CV 1
OR { 555}
(( segid "C " and resid 1923 and name H ))
( segid "C " and resid 1926 and name HD1%)
ASSI { 556}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1912 and name H ))
2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.44901E-02 ppm1 2.696 ppm2 7.613 CV 1
ASSI { 557}
(( segid "C " and resid 1922 and name HB3 ))
(( segid "C " and resid 1923 and name H ))
4.400 2.400 1.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.13856E-02 ppm1 2.006 ppm2 7.619 CV 1
OR { 557}
(( segid "C " and resid 1921 and name HB2 ))
(( segid "C " and resid 1923 and name H ))
ASSI { 558}
(( segid "C " and resid 1923 and name HB2 ))
(( segid "C " and resid 1922 and name H ))
4.600 2.700 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17815E-02 ppm1 1.943 ppm2 7.676 CV 1
OR { 558}
(( segid "C " and resid 1920 and name HB2 ))
(( segid "C " and resid 1922 and name H ))
ASSI { 560}
(( segid "C " and resid 1912 and name HB3 ))
(( segid "C " and resid 1912 and name HA ))
2.300 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.17794E-01 ppm1 2.071 ppm2 4.152 CV 1
ASSI { 561}
(( segid "C " and resid 1912 and name HB3 ))
(( segid "C " and resid 1909 and name HA ))
3.600 1.600 1.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.14168E-01 ppm1 2.071 ppm2 4.127 CV 1
ASSI { 562}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1908 and name HA ))
4.300 2.300 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.39901E-02 ppm1 7.435 ppm2 4.454 CV 1
ASSI { 563}
(( segid "C " and resid 1911 and name HD21))
(( segid "C " and resid 1908 and name HA ))
4.600 2.700 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 7.831 ppm2 4.462 CV 1
ASSI { 564}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HA ))
4.100 2.100 1.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 7.436 ppm2 4.244 CV 1
ASSI { 565}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1908 and name HA ))
3.500 1.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.31150E-02 ppm1 9.005 ppm2 4.453 CV 1
ASSI { 566}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1909 and name HA ))
3.800 1.800 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.19690E-02 ppm1 9.006 ppm2 4.135 CV 1
ASSI { 567}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1907 and name HA ))
3.900 1.900 1.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18648E-02 ppm1 9.005 ppm2 3.772 CV 1
ASSI { 568}
(( segid "C " and resid 1911 and name H ))
( segid "C " and resid 1907 and name HB% )
4.800 2.900 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 9.001 ppm2 1.650 CV 1
ASSI { 569}
(( segid "C " and resid 1911 and name H ))
( segid "C " and resid 1909 and name HB% )
4.500 2.600 1.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 9.007 ppm2 1.575 CV 1
ASSI { 570}
(( segid "C " and resid 1911 and name H ))
( segid "C " and resid 1914 and name HG1%)
5.400 3.700 0.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.88553E-03 ppm1 8.998 ppm2 1.164 CV 1
ASSI { 572}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HD21))
4.500 2.600 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.22190E-02 ppm1 9.005 ppm2 7.821 CV 1
ASSI { 573}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1909 and name H ))
3.900 1.900 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.14585E-02 ppm1 9.004 ppm2 8.041 CV 1
ASSI { 575}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name H ))
5.100 3.300 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 7.435 ppm2 9.004 CV 1
ASSI { 578}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "C " and resid 1911 and name H ))
3.800 1.800 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 1.986 ppm2 9.008 CV 1
OR { 578}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "C " and resid 1911 and name H ))
ASSI { 579}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1911 and name H ))
4.600 2.700 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18856E-02 ppm1 1.579 ppm2 9.001 CV 1
ASSI { 580}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1911 and name HD22))
5.800 4.300 0.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.22294E-02 ppm1 1.648 ppm2 7.432 CV 1
ASSI { 582}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HA ))
1.800 0.400 0.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.26785E-01 ppm1 0.960 ppm2 4.198 CV 1
ASSI { 583}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1921 and name HA ))
1.900 0.500 0.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.22440E-01 ppm1 0.956 ppm2 4.243 CV 1
OR { 583}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HA ))
OR { 583}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HA ))
OR { 583}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HA ))
ASSI { 584}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HA ))
2.900 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.85740E-02 ppm1 1.093 ppm2 4.195 CV 1
ASSI { 587}
(( segid "C " and resid 1907 and name HA ))
( segid "C " and resid 1907 and name HB% )
2.100 0.500 0.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.26034E-01 ppm1 3.774 ppm2 1.648 CV 1
ASSI { 588}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
3.400 1.400 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.71571E-02 ppm1 3.774 ppm2 2.002 CV 1
OR { 588}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 589}
(( segid "B " and resid 76 and name HA ))
( segid "C " and resid 1910 and name HE% )
3.700 1.700 1.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.57195E-02 ppm1 3.570 ppm2 1.995 CV 1
OR { 589}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
OR { 589}
(( segid "B " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
OR { 589}
(( segid "A " and resid 76 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 590}
(( segid "C " and resid 1914 and name HA ))
(( segid "C " and resid 1917 and name HB3 ))
2.800 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.34171E-02 ppm1 3.594 ppm2 1.997 CV 1
OR { 590}
(( segid "C " and resid 1914 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
OR { 590}
(( segid "C " and resid 1914 and name HA ))
( segid "C " and resid 1910 and name HE% )
ASSI { 591}
(( segid "C " and resid 1903 and name H ))
( segid "C " and resid 1900 and name HD1%)
4.800 2.900 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.19898E-02 ppm1 8.141 ppm2 0.951 CV 1
OR { 591}
(( segid "C " and resid 1933 and name H ))
( segid "C " and resid 1930 and name HG1%)
ASSI { 592}
(( segid "C " and resid 1917 and name HB2 ))
(( segid "C " and resid 1917 and name HA ))
2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.46360E-02 ppm1 1.647 ppm2 4.257 CV 1
ASSI { 593}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1907 and name HA ))
4.100 2.100 1.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 8.042 ppm2 3.773 CV 1
ASSI { 594}
(( segid "C " and resid 1908 and name HB2 ))
(( segid "C " and resid 1908 and name HA ))
2.500 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.15189E-01 ppm1 2.931 ppm2 4.453 CV 1
ASSI { 595}
(( segid "C " and resid 1908 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
3.000 1.100 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.12491E-01 ppm1 2.829 ppm2 4.452 CV 1
ASSI { 596}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.50110E-02 ppm1 2.704 ppm2 4.449 CV 1
ASSI { 597}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1908 and name HA ))
3.800 1.800 1.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.26983E-02 ppm1 1.648 ppm2 4.453 CV 1
ASSI { 598}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1908 and name HA ))
4.300 2.300 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.25628E-02 ppm1 0.976 ppm2 4.449 CV 1
OR { 598}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1908 and name HA ))
OR { 598}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1908 and name HA ))
ASSI { 599}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1905 and name HA ))
3.300 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.32504E-02 ppm1 8.914 ppm2 4.105 CV 1
ASSI { 600}
(( segid "C " and resid 1908 and name H ))
( segid "C " and resid 1909 and name HB% )
4.200 2.200 1.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.57611E-02 ppm1 8.913 ppm2 1.568 CV 1
ASSI { 602}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1907 and name H ))
4.600 2.600 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.19377E-02 ppm1 1.304 ppm2 7.694 CV 1
ASSI { 603}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1910 and name HB3 ))
3.700 1.700 1.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.31775E-02 ppm1 7.691 ppm2 2.561 CV 1
ASSI { 604}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
4.600 2.700 1.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.22815E-02 ppm1 7.692 ppm2 2.275 CV 1
OR { 604}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 605}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1907 and name HA ))
2.400 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.50944E-02 ppm1 2.559 ppm2 3.771 CV 1
ASSI { 606}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1907 and name HA ))
3.500 1.500 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.76676E-02 ppm1 2.271 ppm2 3.771 CV 1
ASSI { 607}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1907 and name HA ))
4.400 2.400 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.48652E-02 ppm1 2.006 ppm2 3.776 CV 1
ASSI { 610}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1907 and name HA ))
2.900 1.000 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15325E-01 ppm1 1.159 ppm2 3.772 CV 1
OR { 610}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1907 and name HA ))
OR { 610}
(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1907 and name HA ))
ASSI { 612}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1908 and name HB2 ))
4.000 2.000 2.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 1.646 ppm2 2.915 CV 1
ASSI { 613}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HA ))
3.500 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.30212E-02 ppm1 7.692 ppm2 4.099 CV 1
ASSI { 615}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1907 and name HA ))
4.800 2.900 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.15939E-02 ppm1 7.743 ppm2 3.773 CV 1
ASSI { 616}
(( segid "C " and resid 1906 and name H ))
( segid "C " and resid 1907 and name HB% )
4.400 2.400 1.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.34900E-02 ppm1 7.744 ppm2 1.648 CV 1
ASSI { 618}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name H ))
5.300 3.500 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 1.306 ppm2 7.571 CV 1
ASSI { 619}
(( segid "C " and resid 1905 and name HB3 ))
(( segid "C " and resid 1906 and name H ))
3.200 1.300 1.300 peak 619 spectrum 1 weight 0.10000E+01 volume 0.37400E-02 ppm1 2.278 ppm2 7.739 CV 1
OR { 619}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1906 and name H ))
ASSI { 620}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HA ))
4.700 2.800 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.19898E-02 ppm1 1.307 ppm2 4.101 CV 1
ASSI { 621}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1910 and name HB2 ))
3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.64175E-02 ppm1 1.306 ppm2 2.276 CV 1
OR { 621}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HB3 ))
OR { 621}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 622}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HG2 ))
3.700 1.700 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.52090E-02 ppm1 1.305 ppm2 2.562 CV 1
ASSI { 623}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HG3 ))
3.800 1.800 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40838E-02 ppm1 1.305 ppm2 2.622 CV 1
ASSI { 624}
(( segid "C " and resid 1905 and name HB3 ))
( segid "C " and resid 1906 and name HG2%)
3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.55007E-02 ppm1 2.278 ppm2 1.305 CV 1
OR { 624}
(( segid "C " and resid 1905 and name HB2 ))
( segid "C " and resid 1906 and name HG2%)
ASSI { 625}
(( segid "A " and resid 84 and name HE3 ))
( segid "C " and resid 1906 and name HG2%)
3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.64591E-02 ppm1 2.224 ppm2 1.304 CV 1
OR { 625}
(( segid "A " and resid 84 and name HE2 ))
( segid "C " and resid 1906 and name HG2%)
OR { 625}
(( segid "A " and resid 84 and name HE1 ))
( segid "C " and resid 1906 and name HG2%)
ASSI { 627}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1903 and name HA ))
3.800 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.20836E-02 ppm1 7.569 ppm2 4.336 CV 1
ASSI { 628}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1903 and name HB% )
4.700 2.800 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 7.569 ppm2 1.602 CV 1
ASSI { 629}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1904 and name HG2%)
4.800 2.800 1.200 peak 629 spectrum 1 weight 0.10000E+01 volume 0.13022E-02 ppm1 7.568 ppm2 1.486 CV 1
ASSI { 632}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1900 and name HD1%)
5.500 3.800 0.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 7.566 ppm2 0.979 CV 1
ASSI { 635}
(( segid "C " and resid 1905 and name HB3 ))
(( segid "C " and resid 1905 and name H ))
2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.13648E-01 ppm1 2.278 ppm2 7.567 CV 1
OR { 635}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name H ))
ASSI { 637}
(( segid "A " and resid 57 and name HD2 ))
(( segid "C " and resid 1905 and name HA ))
3.700 1.700 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.46672E-02 ppm1 1.654 ppm2 4.097 CV 1
OR { 637}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1905 and name HA ))
OR { 637}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1915 and name HB2 ))
ASSI { 638}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1915 and name HB2 ))
4.300 2.400 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.24795E-02 ppm1 1.169 ppm2 4.100 CV 1
ASSI { 640}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1915 and name HB2 ))
4.300 2.400 1.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.59695E-02 ppm1 0.987 ppm2 4.095 CV 1
OR { 640}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1916 and name HB2 ))
ASSI { 642}
(( segid "B " and resid 74 and name HG3 ))
( segid "C " and resid 1921 and name HD1%)
4.400 2.400 1.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.35421E-02 ppm1 2.592 ppm2 0.929 CV 1
OR { 642}
(( segid "B " and resid 76 and name HB3 ))
( segid "C " and resid 1921 and name HD1%)
OR { 642}
(( segid "B " and resid 74 and name HG3 ))
( segid "C " and resid 1926 and name HD1%)
ASSI { 646}
( segid "C " and resid 1904 and name HG2%)
( segid "C " and resid 1900 and name HD1%)
2.900 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 1.488 ppm2 0.955 CV 1
ASSI { 647}
( segid "C " and resid 1904 and name HG2%)
( segid "C " and resid 1900 and name HD2%)
4.700 2.700 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 1.488 ppm2 1.092 CV 1
ASSI { 648}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
4.800 2.900 1.200 peak 648 spectrum 1 weight 0.10000E+01 volume 0.18023E-02 ppm1 7.507 ppm2 2.277 CV 1
OR { 648}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 649}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
3.700 1.800 1.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.51881E-02 ppm1 8.147 ppm2 2.300 CV 1
OR { 649}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
OR { 649}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 650}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1903 and name HA ))
1.900 0.500 0.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.39547E-01 ppm1 1.600 ppm2 4.335 CV 1
ASSI { 651}
(( segid "C " and resid 1898 and name HG2 ))
(( segid "C " and resid 1898 and name HA ))
2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11053E-01 ppm1 1.759 ppm2 4.334 CV 1
OR { 651}
(( segid "C " and resid 1898 and name HG3 ))
(( segid "C " and resid 1898 and name HA ))
ASSI { 652}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name HA ))
2.700 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.78656E-02 ppm1 1.956 ppm2 4.337 CV 1
OR { 652}
(( segid "C " and resid 1899 and name HB3 ))
(( segid "C " and resid 1898 and name HA ))
ASSI { 653}
(( segid "A " and resid 85 and name HE2 ))
(( segid "C " and resid 1903 and name HA ))
3.700 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.64175E-02 ppm1 2.187 ppm2 4.337 CV 1
OR { 653}
(( segid "A " and resid 85 and name HE1 ))
(( segid "C " and resid 1903 and name HA ))
ASSI { 654}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1900 and name HA ))
1.800 0.400 0.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.20680E-01 ppm1 1.602 ppm2 4.194 CV 1
ASSI { 655}
( segid "C " and resid 1903 and name HB% )
( segid "C " and resid 1900 and name HD1%)
2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14700E-01 ppm1 1.604 ppm2 0.957 CV 1
OR { 655}
(( segid "C " and resid 1900 and name HB2 ))
( segid "C " and resid 1900 and name HD1%)
ASSI { 656}
(( segid "C " and resid 1900 and name HB2 ))
( segid "C " and resid 1900 and name HD2%)
2.400 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12335E-01 ppm1 1.611 ppm2 1.092 CV 1
OR { 656}
( segid "C " and resid 1903 and name HB% )
( segid "C " and resid 1900 and name HD2%)
ASSI { 657}
(( segid "C " and resid 1910 and name H ))
( segid "C " and resid 1910 and name HE% )
4.000 2.000 2.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.75009E-02 ppm1 8.143 ppm2 2.008 CV 1
ASSI { 658}
(( segid "C " and resid 1919 and name HD21))
(( segid "C " and resid 1919 and name HD22))
2.100 0.500 0.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17127E-01 ppm1 7.655 ppm2 7.037 CV 1
ASSI { 660}
(( segid "C " and resid 1919 and name HD21))
(( segid "C " and resid 1919 and name HB2 ))
3.300 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.29483E-02 ppm1 7.655 ppm2 2.958 CV 1
ASSI { 661}
(( segid "C " and resid 1919 and name HD21))
(( segid "C " and resid 1919 and name HB3 ))
3.300 1.400 1.400 peak 661 spectrum 1 weight 0.10000E+01 volume 0.30420E-02 ppm1 7.656 ppm2 2.999 CV 1
ASSI { 662}
(( segid "C " and resid 1919 and name HD22))
(( segid "C " and resid 1916 and name HA ))
4.900 3.000 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.20315E-02 ppm1 7.043 ppm2 4.377 CV 1
ASSI { 665}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HA ))
2.800 0.900 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.93657E-02 ppm1 8.125 ppm2 4.297 CV 1
ASSI { 667}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1899 and name H ))
3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.32400E-02 ppm1 8.223 ppm2 8.720 CV 1
ASSI { 669}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HA ))
2.100 0.500 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13460E-01 ppm1 8.721 ppm2 4.338 CV 1
ASSI { 670}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HG2 ))
1.900 0.500 0.500 peak 670 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 8.721 ppm2 2.502 CV 1
ASSI { 671}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HG3 ))
3.100 1.200 1.200 peak 671 spectrum 1 weight 0.10000E+01 volume 0.46881E-02 ppm1 8.720 ppm2 2.335 CV 1
ASSI { 672}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HB2 ))
3.500 1.600 1.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.67300E-02 ppm1 8.721 ppm2 2.148 CV 1
ASSI { 673}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HB3 ))
3.200 1.200 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.62299E-02 ppm1 8.721 ppm2 1.944 CV 1
ASSI { 674}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HG2 ))
3.500 1.600 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 8.719 ppm2 1.760 CV 1
OR { 674}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HG3 ))
ASSI { 675}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HG3 ))
3.700 1.700 1.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.87719E-02 ppm1 8.223 ppm2 1.757 CV 1
OR { 675}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HG2 ))
ASSI { 676}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HB2 ))
2.600 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14502E-01 ppm1 8.223 ppm2 1.973 CV 1
ASSI { 677}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HB3 ))
2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.13095E-01 ppm1 8.223 ppm2 1.934 CV 1
ASSI { 678}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HD2 ))
4.100 2.100 1.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.62299E-02 ppm1 8.224 ppm2 3.298 CV 1
OR { 678}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HD3 ))
ASSI { 679}
(( segid "A " and resid 82 and name HG21))
(( segid "C " and resid 1900 and name HB2 ))
2.700 2.700 3.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.23128E-02 ppm1 0.049 ppm2 1.598 CV 1
OR { 679}
(( segid "A " and resid 82 and name HG22))
(( segid "C " and resid 1900 and name HB2 ))
OR { 679}
(( segid "A " and resid 82 and name HG23))
(( segid "C " and resid 1900 and name HB2 ))
ASSI { 680}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1900 and name HD1%)
3.300 1.400 1.400 peak 680 spectrum 1 weight 0.10000E+01 volume 0.58132E-02 ppm1 0.051 ppm2 0.961 CV 1
OR { 680}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1900 and name HD1%)
OR { 680}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1900 and name HD1%)
ASSI { 681}
(( segid "A " and resid 82 and name HG21))
( segid "C " and resid 1900 and name HD2%)
4.100 2.100 1.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 0.050 ppm2 1.095 CV 1
OR { 681}
(( segid "A " and resid 82 and name HG22))
( segid "C " and resid 1900 and name HD2%)
OR { 681}
(( segid "A " and resid 82 and name HG23))
( segid "C " and resid 1900 and name HD2%)
ASSI { 682}
(( segid "A " and resid 82 and name HD12))
(( segid "C " and resid 1900 and name HB2 ))
2.700 2.700 3.300 peak 682 spectrum 1 weight 0.10000E+01 volume 0.26878E-02 ppm1 -0.104 ppm2 1.597 CV 1
OR { 682}
(( segid "A " and resid 82 and name HD13))
(( segid "C " and resid 1900 and name HB2 ))
OR { 682}
(( segid "A " and resid 82 and name HD11))
(( segid "C " and resid 1900 and name HB2 ))
ASSI { 683}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1900 and name HD2%)
3.200 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.60737E-02 ppm1 -0.105 ppm2 1.092 CV 1
OR { 683}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1900 and name HD2%)
OR { 683}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1900 and name HD2%)
ASSI { 684}
(( segid "A " and resid 82 and name HD12))
( segid "C " and resid 1900 and name HD1%)
2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12554E-01 ppm1 -0.105 ppm2 0.960 CV 1
OR { 684}
(( segid "A " and resid 82 and name HD13))
( segid "C " and resid 1900 and name HD1%)
OR { 684}
(( segid "A " and resid 82 and name HD11))
( segid "C " and resid 1900 and name HD1%)
ASSI { 685}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1898 and name HA ))
4.600 2.600 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.95845E-03 ppm1 9.146 ppm2 4.327 CV 1
ASSI { 686}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HA ))
3.200 1.300 1.300 peak 686 spectrum 1 weight 0.10000E+01 volume 0.93762E-03 ppm1 9.142 ppm2 4.192 CV 1
ASSI { 687}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HG ))
4.100 2.100 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.16565E-02 ppm1 9.149 ppm2 2.167 CV 1
ASSI { 688}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HB3 ))
3.600 1.700 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.27087E-02 ppm1 9.148 ppm2 2.081 CV 1
ASSI { 689}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HB2 ))
2.400 0.700 0.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.11126E-01 ppm1 1.093 ppm2 1.610 CV 1
ASSI { 694}
(( segid "A " and resid 58 and name HD22))
( segid "C " and resid 1900 and name HD2%)
2.900 1.000 1.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.11793E-01 ppm1 0.808 ppm2 1.093 CV 1
OR { 694}
(( segid "A " and resid 58 and name HD21))
( segid "C " and resid 1900 and name HD2%)
OR { 694}
(( segid "A " and resid 58 and name HD23))
( segid "C " and resid 1900 and name HD2%)
ASSI { 695}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD2%)
2.700 0.900 0.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.98762E-02 ppm1 0.558 ppm2 1.020 CV 1
OR { 695}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD2%)
OR { 695}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD2%)
ASSI { 696}
(( segid "B " and resid 82 and name HG12))
( segid "C " and resid 1921 and name HD1%)
2.900 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.47818E-02 ppm1 0.558 ppm2 0.919 CV 1
OR { 696}
(( segid "B " and resid 82 and name HG12))
( segid "C " and resid 1921 and name HD2%)
OR { 696}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1921 and name HD1%)
OR { 696}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1921 and name HD2%)
OR { 696}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1921 and name HD2%)
OR { 696}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1921 and name HD1%)
ASSI { 697}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1917 and name HD1%)
2.500 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.13679E-01 ppm1 0.558 ppm2 1.189 CV 1
OR { 697}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1917 and name HD1%)
OR { 697}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1917 and name HD1%)
ASSI { 698}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD2%)
3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.31566E-02 ppm1 0.415 ppm2 1.021 CV 1
OR { 698}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD2%)
OR { 698}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD2%)
ASSI { 699}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1921 and name HD2%)
3.400 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.21878E-02 ppm1 0.416 ppm2 0.912 CV 1
OR { 699}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1921 and name HD2%)
OR { 699}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1921 and name HD2%)
OR { 699}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1921 and name HD1%)
ASSI { 700}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD1%)
4.000 2.000 2.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 0.416 ppm2 1.187 CV 1
OR { 700}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD1%)
OR { 700}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD1%)
ASSI { 701}
(( segid "A " and resid 62 and name HD23))
( segid "C " and resid 1904 and name HG2%)
3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.36880E-02 ppm1 0.290 ppm2 1.489 CV 1
OR { 701}
(( segid "A " and resid 62 and name HD21))
( segid "C " and resid 1904 and name HG2%)
OR { 701}
(( segid "A " and resid 62 and name HD22))
( segid "C " and resid 1904 and name HG2%)
ASSI { 702}
(( segid "A " and resid 82 and name HG12))
( segid "C " and resid 1900 and name HD1%)
3.000 1.100 1.100 peak 702 spectrum 1 weight 0.10000E+01 volume 0.35109E-02 ppm1 0.323 ppm2 0.962 CV 1
ASSI { 707}
(( segid "B " and resid 82 and name HG12))
(( segid "C " and resid 1918 and name HD3 ))
3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 0.560 ppm2 1.827 CV 1
OR { 707}
(( segid "B " and resid 82 and name HG12))
(( segid "C " and resid 1922 and name HG2 ))
OR { 707}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1918 and name HD3 ))
OR { 707}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1918 and name HD3 ))
OR { 707}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1918 and name HD3 ))
OR { 707}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1920 and name HG3 ))
ASSI { 708}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1917 and name HB3 ))
4.900 3.000 1.100 peak 708 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 0.560 ppm2 1.988 CV 1
OR { 708}
(( segid "B " and resid 82 and name HG12))
(( segid "C " and resid 1921 and name HB2 ))
OR { 708}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1917 and name HB3 ))
OR { 708}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1917 and name HB3 ))
OR { 708}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1910 and name HE% )
OR { 708}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1910 and name HE% )
OR { 708}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1910 and name HE% )
OR { 708}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1921 and name HB2 ))
ASSI { 709}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HB2 ))
3.100 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.64279E-02 ppm1 1.023 ppm2 2.316 CV 1
OR { 709}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HB3 ))
OR { 709}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HB2 ))
OR { 709}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 711}
(( segid "C " and resid 1897 and name HE22))
(( segid "C " and resid 1897 and name HG2 ))
4.000 2.000 2.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.49798E-02 ppm1 6.485 ppm2 2.226 CV 1
ASSI { 712}
(( segid "C " and resid 1897 and name HE22))
(( segid "C " and resid 1897 and name HG3 ))
4.500 2.500 1.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.25211E-02 ppm1 6.486 ppm2 2.149 CV 1
ASSI { 713}
(( segid "C " and resid 1897 and name HE21))
(( segid "C " and resid 1897 and name HG3 ))
3.300 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.29587E-02 ppm1 7.103 ppm2 2.146 CV 1
ASSI { 714}
(( segid "C " and resid 1897 and name HE21))
(( segid "C " and resid 1897 and name HG2 ))
3.300 1.300 1.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.41984E-02 ppm1 7.104 ppm2 2.225 CV 1
ASSI { 715}
( segid "A " and resid 55 and name HE% )
(( segid "C " and resid 1900 and name HG ))
4.500 2.500 1.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.24274E-02 ppm1 7.219 ppm2 2.152 CV 1
OR { 715}
( segid "A " and resid 55 and name HD% )
(( segid "C " and resid 1900 and name HG ))
ASSI { 717}
( segid "A " and resid 78 and name HD% )
( segid "C " and resid 1904 and name HG2%)
2.600 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.48964E-02 ppm1 7.119 ppm2 1.489 CV 1
ASSI { 718}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1904 and name HG2%)
3.500 1.500 1.500 peak 718 spectrum 1 weight 0.10000E+01 volume 0.27608E-02 ppm1 7.041 ppm2 1.485 CV 1
ASSI { 719}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1917 and name HD2%)
4.000 2.000 2.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.26462E-02 ppm1 8.307 ppm2 1.019 CV 1
ASSI { 720}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.800 2.900 1.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 8.323 ppm2 1.176 CV 1
OR { 720}
(( segid "B " and resid 76 and name H ))
( segid "C " and resid 1917 and name HD1%)
OR { 720}
(( segid "B " and resid 64 and name H ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 721}
(( segid "A " and resid 58 and name H ))
(( segid "C " and resid 1898 and name HD3 ))
3.000 1.100 1.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.36463E-02 ppm1 8.341 ppm2 3.299 CV 1
OR { 721}
(( segid "A " and resid 53 and name H ))
(( segid "C " and resid 1898 and name HD3 ))
OR { 721}
(( segid "A " and resid 53 and name H ))
(( segid "C " and resid 1898 and name HD2 ))
ASSI { 725}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1899 and name HG3 ))
3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 9.148 ppm2 2.336 CV 1
ASSI { 731}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name HA ))
3.100 1.200 1.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.64070E-02 ppm1 8.039 ppm2 4.429 CV 1
ASSI { 1}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name H ))
2.600 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.58293E-02 ppm1 8.444 ppm2 8.825 CV 1
ASSI { 2}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1916 and name H ))
2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.66730E-02 ppm1 8.444 ppm2 7.839 CV 1
ASSI { 3}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1912 and name H ))
3.900 1.900 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.24501E-02 ppm1 8.442 ppm2 7.610 CV 1
OR { 3}
(( segid "C " and resid 1915 and name H ))
(( segid "B " and resid 81 and name H ))
ASSI { 5}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HB3 ))
2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.78235E-02 ppm1 8.442 ppm2 4.037 CV 1
OR { 5}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HB2 ))
ASSI { 6}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1915 and name HA ))
2.500 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11480E-01 ppm1 8.442 ppm2 4.107 CV 1
ASSI { 7}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1912 and name HA ))
3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.40345E-02 ppm1 8.442 ppm2 4.167 CV 1
ASSI { 8}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1911 and name HA ))
3.800 1.800 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 8.446 ppm2 4.254 CV 1
ASSI { 9}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name HB ))
3.300 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.51518E-02 ppm1 8.441 ppm2 2.166 CV 1
ASSI { 10}
(( segid "C " and resid 1915 and name H ))
( segid "C " and resid 1914 and name HG1%)
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.44717E-02 ppm1 8.445 ppm2 1.170 CV 1
ASSI { 11}
(( segid "C " and resid 1915 and name H ))
( segid "C " and resid 1914 and name HG2%)
3.800 1.800 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.62946E-02 ppm1 8.441 ppm2 0.984 CV 1
ASSI { 12}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1914 and name HA ))
3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.23693E-02 ppm1 8.440 ppm2 3.605 CV 1
ASSI { 14}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
5.000 3.100 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17506E-02 ppm1 8.445 ppm2 2.317 CV 1
OR { 14}
(( segid "C " and resid 1915 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 15}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1919 and name HA ))
3.800 1.800 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 8.314 ppm2 4.618 CV 1
ASSI { 16}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1921 and name HA ))
2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.43080E-02 ppm1 8.311 ppm2 4.255 CV 1
ASSI { 17}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HA ))
3.600 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20804E-02 ppm1 8.314 ppm2 4.143 CV 1
ASSI { 18}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1918 and name HA ))
3.300 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.20249E-02 ppm1 8.310 ppm2 3.922 CV 1
ASSI { 19}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1917 and name HD2%)
3.900 1.900 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27254E-02 ppm1 8.312 ppm2 1.013 CV 1
ASSI { 20}
(( segid "C " and resid 1921 and name H ))
( segid "C " and resid 1921 and name HD1%)
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.65273E-02 ppm1 8.310 ppm2 0.920 CV 1
ASSI { 21}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1922 and name HB2 ))
4.000 2.000 2.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.41265E-02 ppm1 8.313 ppm2 2.089 CV 1
OR { 21}
(( segid "C " and resid 1921 and name H ))
(( segid "B " and resid 85 and name HE2 ))
OR { 21}
(( segid "C " and resid 1921 and name H ))
(( segid "B " and resid 85 and name HE1 ))
OR { 21}
(( segid "C " and resid 1921 and name H ))
(( segid "B " and resid 85 and name HE3 ))
ASSI { 22}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1922 and name HB3 ))
4.300 2.300 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.68494E-02 ppm1 8.311 ppm2 1.994 CV 1
OR { 22}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1917 and name HB3 ))
ASSI { 23}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1921 and name HB3 ))
3.100 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.60210E-02 ppm1 8.312 ppm2 1.939 CV 1
OR { 23}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HB2 ))
OR { 23}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HB3 ))
ASSI { 24}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.40856E-02 ppm1 8.309 ppm2 1.832 CV 1
ASSI { 25}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1926 and name HG ))
3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.43132E-02 ppm1 8.308 ppm2 1.696 CV 1
ASSI { 26}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1920 and name HG2 ))
4.300 2.300 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.17442E-02 ppm1 8.312 ppm2 1.528 CV 1
ASSI { 28}
(( segid "C " and resid 1921 and name H ))
(( segid "C " and resid 1922 and name H ))
2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.46660E-02 ppm1 8.311 ppm2 7.676 CV 1
ASSI { 35}
(( segid "C " and resid 1935 and name H ))
(( segid "C " and resid 1935 and name HA ))
2.700 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.89740E-02 ppm1 8.046 ppm2 4.310 CV 1
ASSI { 36}
(( segid "C " and resid 1935 and name H ))
(( segid "C " and resid 1934 and name HA ))
2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13686E-01 ppm1 8.045 ppm2 4.468 CV 1
ASSI { 37}
(( segid "C " and resid 1935 and name H ))
( segid "C " and resid 1935 and name HB% )
2.800 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23634E-01 ppm1 8.045 ppm2 1.359 CV 1
ASSI { 38}
(( segid "C " and resid 1935 and name H ))
(( segid "C " and resid 1934 and name HB2 ))
3.400 1.400 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19855E-02 ppm1 8.046 ppm2 1.954 CV 1
ASSI { 39}
(( segid "C " and resid 1935 and name H ))
(( segid "C " and resid 1934 and name HB3 ))
3.900 1.900 1.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.28865E-02 ppm1 8.049 ppm2 2.117 CV 1
ASSI { 40}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1934 and name HA ))
2.900 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.61719E-02 ppm1 8.093 ppm2 4.470 CV 1
ASSI { 41}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1933 and name HA ))
2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.91760E-02 ppm1 8.091 ppm2 4.279 CV 1
ASSI { 42}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1934 and name HG2 ))
3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.40856E-02 ppm1 8.094 ppm2 2.545 CV 1
ASSI { 43}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1934 and name HB3 ))
3.900 1.900 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.49268E-02 ppm1 8.094 ppm2 2.118 CV 1
ASSI { 44}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1934 and name HB2 ))
2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.59418E-02 ppm1 8.097 ppm2 1.949 CV 1
ASSI { 45}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1933 and name HG2 ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.34004E-02 ppm1 8.095 ppm2 1.538 CV 1
ASSI { 46}
(( segid "C " and resid 1934 and name H ))
(( segid "C " and resid 1933 and name HB2 ))
3.600 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.38529E-02 ppm1 8.097 ppm2 1.772 CV 1
ASSI { 47}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HD2 ))
4.700 2.700 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26743E-02 ppm1 8.168 ppm2 3.137 CV 1
OR { 47}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HD3 ))
ASSI { 48}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1932 and name HA ))
2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.92910E-02 ppm1 8.168 ppm2 4.090 CV 1
ASSI { 49}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HA ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.69849E-02 ppm1 8.168 ppm2 4.277 CV 1
ASSI { 50}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HG2 ))
3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.82735E-02 ppm1 8.168 ppm2 1.540 CV 1
ASSI { 51}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HB2 ))
3.000 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11239E-01 ppm1 8.168 ppm2 1.777 CV 1
OR { 51}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HB3 ))
ASSI { 52}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1932 and name HB2 ))
3.500 1.500 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.40294E-02 ppm1 8.167 ppm2 1.713 CV 1
ASSI { 53}
(( segid "C " and resid 1933 and name H ))
(( segid "C " and resid 1933 and name HG3 ))
4.200 2.200 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.19597E-02 ppm1 8.169 ppm2 1.616 CV 1
ASSI { 54}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1932 and name HA ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.50341E-02 ppm1 8.110 ppm2 4.088 CV 1
ASSI { 55}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1931 and name HA ))
2.600 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12970E-01 ppm1 8.108 ppm2 4.298 CV 1
ASSI { 56}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1932 and name HG2 ))
3.400 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.39603E-02 ppm1 8.109 ppm2 1.550 CV 1
ASSI { 57}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1932 and name HG3 ))
3.300 1.400 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.31473E-02 ppm1 8.112 ppm2 1.616 CV 1
ASSI { 58}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1932 and name HB2 ))
2.800 1.000 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.85803E-02 ppm1 8.109 ppm2 1.707 CV 1
ASSI { 59}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1931 and name HB3 ))
4.300 2.400 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.28354E-02 ppm1 8.109 ppm2 2.084 CV 1
ASSI { 60}
(( segid "C " and resid 1932 and name H ))
(( segid "C " and resid 1932 and name HB3 ))
3.400 1.400 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.40473E-02 ppm1 8.110 ppm2 1.763 CV 1
ASSI { 61}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1929 and name HG2%)
3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.54560E-02 ppm1 7.977 ppm2 0.768 CV 1
ASSI { 62}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1930 and name HG2%)
2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.15775E-01 ppm1 7.980 ppm2 1.024 CV 1
ASSI { 63}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1930 and name HG1%)
3.300 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.66346E-02 ppm1 7.979 ppm2 0.943 CV 1
ASSI { 64}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1929 and name HG1%)
3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.98433E-02 ppm1 7.980 ppm2 0.877 CV 1
ASSI { 65}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1930 and name HB ))
2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.10690E-01 ppm1 7.979 ppm2 1.891 CV 1
ASSI { 66}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name HB ))
2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12316E-01 ppm1 7.979 ppm2 2.000 CV 1
ASSI { 67}
(( segid "C " and resid 1930 and name H ))
(( segid "B " and resid 85 and name HE1 ))
3.400 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 7.976 ppm2 2.103 CV 1
OR { 67}
(( segid "C " and resid 1930 and name H ))
(( segid "B " and resid 85 and name HE3 ))
OR { 67}
(( segid "C " and resid 1930 and name H ))
(( segid "B " and resid 85 and name HE2 ))
ASSI { 68}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1930 and name HA ))
2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.63764E-02 ppm1 7.979 ppm2 4.311 CV 1
ASSI { 69}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name HA ))
2.100 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.23008E-01 ppm1 7.979 ppm2 4.430 CV 1
ASSI { 70}
(( segid "C " and resid 1930 and name H ))
(( segid "C " and resid 1929 and name H ))
3.800 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.27715E-02 ppm1 7.981 ppm2 8.610 CV 1
ASSI { 71}
(( segid "C " and resid 1930 and name H ))
( segid "C " and resid 1928 and name HD% )
4.300 2.300 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.18048E-02 ppm1 7.977 ppm2 7.324 CV 1
ASSI { 73}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1928 and name HD% )
2.900 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 8.605 ppm2 7.325 CV 1
ASSI { 74}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name H ))
4.600 2.600 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 8.600 ppm2 7.025 CV 1
ASSI { 75}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HA ))
2.400 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.75116E-02 ppm1 8.605 ppm2 5.359 CV 1
ASSI { 76}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1929 and name HA ))
2.900 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.28686E-02 ppm1 8.606 ppm2 4.426 CV 1
ASSI { 79}
(( segid "C " and resid 1929 and name H ))
(( segid "B " and resid 45 and name HA ))
3.400 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 8.607 ppm2 4.852 CV 1
ASSI { 80}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HB3 ))
4.400 2.400 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.30016E-02 ppm1 8.604 ppm2 3.021 CV 1
ASSI { 81}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1928 and name HB2 ))
3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.35717E-02 ppm1 8.606 ppm2 3.110 CV 1
ASSI { 82}
(( segid "C " and resid 1929 and name H ))
(( segid "C " and resid 1929 and name HB ))
3.700 1.700 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.28788E-02 ppm1 8.604 ppm2 2.000 CV 1
ASSI { 83}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1929 and name HG2%)
2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.72534E-02 ppm1 8.604 ppm2 0.769 CV 1
ASSI { 84}
(( segid "C " and resid 1929 and name H ))
( segid "C " and resid 1929 and name HG1%)
3.700 1.700 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.36842E-02 ppm1 8.608 ppm2 0.878 CV 1
ASSI { 85}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HB2 ))
3.300 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.58421E-02 ppm1 7.022 ppm2 3.094 CV 1
ASSI { 86}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HB3 ))
2.300 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.69261E-02 ppm1 7.023 ppm2 3.009 CV 1
ASSI { 87}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HD2 ))
3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 7.024 ppm2 3.239 CV 1
ASSI { 88}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1926 and name HB2 ))
3.300 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.41240E-02 ppm1 7.024 ppm2 1.863 CV 1
ASSI { 89}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HB2 ))
3.200 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.29709E-02 ppm1 7.023 ppm2 1.918 CV 1
ASSI { 90}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HG2 ))
2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.43873E-02 ppm1 7.023 ppm2 1.352 CV 1
OR { 90}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HB3 ))
ASSI { 91}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1926 and name HD1%)
2.900 1.100 1.100 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33186E-02 ppm1 7.022 ppm2 0.951 CV 1
ASSI { 92}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1926 and name HD2%)
4.000 2.000 2.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.32496E-02 ppm1 7.025 ppm2 0.864 CV 1
ASSI { 93}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1927 and name HA ))
3.200 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.63355E-02 ppm1 7.020 ppm2 4.614 CV 1
ASSI { 94}
(( segid "C " and resid 1928 and name H ))
(( segid "C " and resid 1928 and name HA ))
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.53103E-02 ppm1 7.021 ppm2 5.354 CV 1
ASSI { 95}
(( segid "C " and resid 1928 and name H ))
( segid "C " and resid 1928 and name HD% )
3.100 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.51083E-02 ppm1 7.022 ppm2 7.315 CV 1
ASSI { 97}
(( segid "C " and resid 1926 and name H ))
( segid "C " and resid 1926 and name HD2%)
3.400 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.67318E-02 ppm1 7.985 ppm2 0.863 CV 1
ASSI { 98}
(( segid "C " and resid 1926 and name H ))
( segid "C " and resid 1926 and name HD1%)
3.300 1.400 1.400 peak 98 spectrum 1 weight 0.10000E+01 volume 0.73710E-02 ppm1 7.984 ppm2 0.951 CV 1
ASSI { 99}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HB3 ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.84294E-02 ppm1 7.985 ppm2 1.353 CV 1
ASSI { 100}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HG ))
2.500 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.95416E-02 ppm1 7.985 ppm2 1.689 CV 1
ASSI { 101}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HB2 ))
2.800 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12318E-01 ppm1 7.985 ppm2 1.864 CV 1
ASSI { 102}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HB3 ))
3.400 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.68008E-02 ppm1 7.986 ppm2 2.697 CV 1
OR { 102}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HB2 ))
ASSI { 103}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1927 and name HD2 ))
4.700 2.700 1.300 peak 103 spectrum 1 weight 0.10000E+01 volume 0.19541E-02 ppm1 7.985 ppm2 3.240 CV 1
ASSI { 104}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1927 and name HD3 ))
4.800 2.900 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.25720E-02 ppm1 7.977 ppm2 3.692 CV 1
ASSI { 105}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1920 and name HA ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 7.990 ppm2 4.122 CV 1
OR { 105}
(( segid "C " and resid 1926 and name H ))
(( segid "B " and resid 54 and name HA ))
ASSI { 106}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1925 and name HA ))
2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.10776E-01 ppm1 7.985 ppm2 4.591 CV 1
ASSI { 107}
(( segid "C " and resid 1926 and name H ))
(( segid "C " and resid 1926 and name HA ))
2.900 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.70105E-02 ppm1 7.984 ppm2 4.692 CV 1
ASSI { 109}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HB2 ))
2.900 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10557E-01 ppm1 8.254 ppm2 2.695 CV 1
OR { 109}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HB3 ))
ASSI { 110}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1925 and name HA ))
2.900 1.100 1.100 peak 110 spectrum 1 weight 0.10000E+01 volume 0.75729E-02 ppm1 8.254 ppm2 4.591 CV 1
ASSI { 112}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1924 and name HA2 ))
3.500 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.52438E-02 ppm1 8.253 ppm2 4.115 CV 1
ASSI { 113}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1924 and name HA3 ))
3.600 1.700 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.35461E-02 ppm1 8.253 ppm2 4.058 CV 1
ASSI { 114}
(( segid "C " and resid 1925 and name H ))
(( segid "C " and resid 1926 and name H ))
3.400 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.80076E-02 ppm1 8.254 ppm2 7.987 CV 1
ASSI { 115}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name HA ))
3.400 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.33493E-02 ppm1 8.036 ppm2 4.426 CV 1
ASSI { 118}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1924 and name HA2 ))
3.300 1.300 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.36228E-02 ppm1 8.028 ppm2 4.110 CV 1
ASSI { 119}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1924 and name HA3 ))
3.900 1.900 1.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.28149E-02 ppm1 8.034 ppm2 4.049 CV 1
ASSI { 120}
(( segid "C " and resid 1924 and name H ))
(( segid "C " and resid 1923 and name H ))
3.400 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23882E-02 ppm1 8.027 ppm2 7.617 CV 1
ASSI { 121}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HA ))
2.600 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15783E-01 ppm1 7.615 ppm2 4.416 CV 1
ASSI { 122}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1920 and name HA ))
3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.22317E-02 ppm1 7.616 ppm2 4.140 CV 1
ASSI { 123}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1922 and name HD3 ))
2.500 2.500 3.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.42492E-02 ppm1 7.616 ppm2 3.320 CV 1
OR { 123}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1922 and name HD2 ))
ASSI { 124}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HB3 ))
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11541E-01 ppm1 7.615 ppm2 2.081 CV 1
ASSI { 125}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HB2 ))
2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11845E-01 ppm1 7.613 ppm2 1.953 CV 1
ASSI { 126}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HG3 ))
3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10434E-01 ppm1 7.614 ppm2 1.822 CV 1
OR { 126}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1923 and name HG2 ))
OR { 126}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1922 and name HG2 ))
ASSI { 127}
(( segid "C " and resid 1923 and name H ))
(( segid "C " and resid 1922 and name H ))
2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.92859E-02 ppm1 7.615 ppm2 7.677 CV 1
ASSI { 130}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HA ))
2.800 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.82812E-02 ppm1 7.673 ppm2 4.393 CV 1
ASSI { 131}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1921 and name HA ))
3.200 1.300 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.28865E-02 ppm1 7.680 ppm2 4.248 CV 1
ASSI { 132}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HD2 ))
4.400 2.400 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.28916E-02 ppm1 7.678 ppm2 3.325 CV 1
OR { 132}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HD3 ))
ASSI { 133}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1920 and name HA ))
4.300 2.300 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 7.680 ppm2 4.146 CV 1
ASSI { 134}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1919 and name HA ))
3.300 1.400 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.23706E-02 ppm1 7.672 ppm2 4.593 CV 1
ASSI { 135}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HB2 ))
2.200 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.88615E-02 ppm1 7.675 ppm2 2.098 CV 1
ASSI { 136}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HB3 ))
3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.11388E-01 ppm1 7.675 ppm2 2.008 CV 1
ASSI { 137}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HG3 ))
3.600 1.700 1.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.74016E-02 ppm1 7.674 ppm2 1.909 CV 1
ASSI { 138}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1922 and name HG2 ))
3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.65400E-02 ppm1 7.674 ppm2 1.826 CV 1
ASSI { 139}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1926 and name HG ))
4.100 2.100 1.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.27254E-02 ppm1 7.676 ppm2 1.687 CV 1
OR { 139}
(( segid "C " and resid 1922 and name H ))
(( segid "C " and resid 1918 and name HD2 ))
ASSI { 140}
(( segid "C " and resid 1922 and name H ))
( segid "C " and resid 1921 and name HD2%)
4.400 2.400 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.30143E-02 ppm1 7.676 ppm2 0.909 CV 1
OR { 140}
(( segid "C " and resid 1922 and name H ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 141}
(( segid "C " and resid 1920 and name H ))
( segid "C " and resid 1921 and name HD1%)
4.500 2.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25122E-02 ppm1 7.827 ppm2 0.918 CV 1
ASSI { 142}
(( segid "C " and resid 1920 and name H ))
( segid "C " and resid 1917 and name HD2%)
3.900 1.900 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.35231E-02 ppm1 7.831 ppm2 1.018 CV 1
ASSI { 143}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HG2 ))
2.200 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.41955E-02 ppm1 7.831 ppm2 1.529 CV 1
ASSI { 144}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1926 and name HG ))
4.400 2.400 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.30885E-02 ppm1 7.827 ppm2 1.699 CV 1
ASSI { 145}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HB2 ))
3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.59546E-02 ppm1 7.829 ppm2 1.934 CV 1
ASSI { 146}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
2.800 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.82556E-02 ppm1 7.829 ppm2 1.828 CV 1
ASSI { 147}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.58625E-02 ppm1 7.830 ppm2 2.074 CV 1
OR { 147}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1923 and name HB3 ))
OR { 147}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
OR { 147}
(( segid "C " and resid 1920 and name H ))
(( segid "B " and resid 85 and name HE2 ))
ASSI { 148}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1919 and name HB3 ))
2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.43208E-02 ppm1 7.828 ppm2 3.007 CV 1
ASSI { 149}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1919 and name HB2 ))
3.700 1.700 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.35385E-02 ppm1 7.829 ppm2 2.953 CV 1
ASSI { 150}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1920 and name HA ))
2.900 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.54918E-02 ppm1 7.828 ppm2 4.138 CV 1
ASSI { 151}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1917 and name HA ))
3.500 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.33033E-02 ppm1 7.830 ppm2 4.262 CV 1
ASSI { 153}
(( segid "C " and resid 1920 and name H ))
(( segid "C " and resid 1921 and name H ))
2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.62358E-02 ppm1 7.827 ppm2 8.318 CV 1
ASSI { 154}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HA ))
2.900 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.59290E-02 ppm1 7.476 ppm2 4.595 CV 1
ASSI { 155}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1916 and name HA ))
3.600 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 7.474 ppm2 4.381 CV 1
ASSI { 156}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HA ))
3.100 1.200 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.27382E-02 ppm1 7.479 ppm2 3.917 CV 1
ASSI { 157}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
2.800 2.800 3.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.22121E-02 ppm1 7.479 ppm2 4.107 CV 1
ASSI { 158}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HB3 ))
2.700 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11068E-01 ppm1 7.478 ppm2 2.999 CV 1
ASSI { 159}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1919 and name HB2 ))
2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10278E-01 ppm1 7.476 ppm2 2.959 CV 1
ASSI { 160}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1920 and name H ))
2.400 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.79462E-02 ppm1 7.478 ppm2 7.835 CV 1
ASSI { 161}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name H ))
2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.62690E-02 ppm1 7.480 ppm2 8.907 CV 1
ASSI { 162}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HG3 ))
4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.39654E-02 ppm1 7.478 ppm2 1.538 CV 1
ASSI { 163}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HD2 ))
4.700 2.700 1.300 peak 163 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 7.472 ppm2 1.688 CV 1
ASSI { 164}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
2.900 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.20842E-02 ppm1 7.477 ppm2 1.828 CV 1
ASSI { 165}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.86723E-02 ppm1 7.478 ppm2 2.078 CV 1
OR { 165}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 166}
(( segid "C " and resid 1919 and name H ))
(( segid "C " and resid 1922 and name HB3 ))
5.000 3.100 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.19656E-02 ppm1 7.477 ppm2 2.006 CV 1
ASSI { 167}
(( segid "C " and resid 1919 and name H ))
(( segid "B " and resid 84 and name HE2 ))
4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.35947E-02 ppm1 7.474 ppm2 2.121 CV 1
OR { 167}
(( segid "C " and resid 1919 and name H ))
(( segid "B " and resid 84 and name HE3 ))
OR { 167}
(( segid "C " and resid 1919 and name H ))
(( segid "B " and resid 84 and name HE1 ))
ASSI { 168}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1917 and name H ))
2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.55429E-02 ppm1 8.906 ppm2 8.150 CV 1
ASSI { 170}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1916 and name H ))
3.800 1.800 1.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22995E-02 ppm1 8.913 ppm2 7.837 CV 1
OR { 170}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1920 and name H ))
ASSI { 172}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1917 and name HA ))
3.300 1.400 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 8.906 ppm2 4.269 CV 1
ASSI { 173}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HA ))
2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.55506E-02 ppm1 8.906 ppm2 3.920 CV 1
ASSI { 174}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1915 and name HA ))
3.700 1.700 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.29632E-02 ppm1 8.903 ppm2 4.094 CV 1
ASSI { 175}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
1.900 0.400 0.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 8.908 ppm2 2.077 CV 1
ASSI { 176}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
4.900 3.000 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.31780E-02 ppm1 8.903 ppm2 1.998 CV 1
OR { 176}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1922 and name HB3 ))
OR { 176}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1910 and name HE% )
OR { 176}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 177}
(( segid "C " and resid 1918 and name H ))
(( segid "B " and resid 84 and name HE2 ))
3.500 1.600 1.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.31524E-02 ppm1 8.903 ppm2 2.134 CV 1
OR { 177}
(( segid "C " and resid 1918 and name H ))
(( segid "B " and resid 84 and name HE1 ))
OR { 177}
(( segid "C " and resid 1918 and name H ))
(( segid "B " and resid 84 and name HE3 ))
ASSI { 178}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HD3 ))
3.400 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.21001E-02 ppm1 8.902 ppm2 1.816 CV 1
ASSI { 179}
(( segid "C " and resid 1918 and name H ))
(( segid "C " and resid 1918 and name HG3 ))
4.400 2.400 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 8.903 ppm2 1.538 CV 1
ASSI { 180}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1917 and name HD2%)
3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.30783E-02 ppm1 8.906 ppm2 1.018 CV 1
ASSI { 181}
(( segid "C " and resid 1918 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.400 2.400 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24411E-02 ppm1 8.909 ppm2 1.183 CV 1
ASSI { 183}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name H ))
2.600 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.59341E-02 ppm1 8.151 ppm2 7.839 CV 1
ASSI { 184}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name HA ))
3.700 1.700 1.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25521E-02 ppm1 8.151 ppm2 4.382 CV 1
ASSI { 185}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1917 and name HA ))
2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.48884E-02 ppm1 8.149 ppm2 4.274 CV 1
ASSI { 186}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
3.800 1.800 1.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.40191E-02 ppm1 8.146 ppm2 4.097 CV 1
ASSI { 187}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1916 and name HB3 ))
3.000 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.47299E-02 ppm1 8.149 ppm2 4.049 CV 1
ASSI { 188}
(( segid "C " and resid 1917 and name H ))
( segid "C " and resid 1917 and name HD2%)
3.800 1.800 1.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.61156E-02 ppm1 8.151 ppm2 1.018 CV 1
ASSI { 189}
(( segid "C " and resid 1917 and name H ))
( segid "C " and resid 1917 and name HD1%)
4.400 2.400 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.34132E-02 ppm1 8.152 ppm2 1.184 CV 1
ASSI { 190}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1917 and name HB2 ))
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38887E-02 ppm1 8.152 ppm2 1.647 CV 1
ASSI { 191}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1917 and name HB3 ))
2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.44793E-02 ppm1 8.151 ppm2 1.979 CV 1
ASSI { 192}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1918 and name HB3 ))
4.100 2.100 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 8.153 ppm2 2.077 CV 1
OR { 192}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 193}
(( segid "C " and resid 1917 and name H ))
(( segid "C " and resid 1920 and name HG3 ))
4.600 2.600 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 8.153 ppm2 1.817 CV 1
ASSI { 195}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1917 and name H ))
2.600 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.72687E-02 ppm1 7.836 ppm2 8.151 CV 1
ASSI { 196}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HA ))
2.800 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.92399E-02 ppm1 7.836 ppm2 4.387 CV 1
ASSI { 197}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1913 and name HA ))
3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.48501E-02 ppm1 7.838 ppm2 4.254 CV 1
ASSI { 198}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
2.400 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.19487E-01 ppm1 7.837 ppm2 4.095 CV 1
ASSI { 199}
(( segid "C " and resid 1916 and name H ))
(( segid "C " and resid 1916 and name HB3 ))
2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.16015E-01 ppm1 7.838 ppm2 4.054 CV 1
ASSI { 200}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name H ))
2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.52080E-02 ppm1 8.825 ppm2 7.804 CV 1
ASSI { 202}
(( segid "C " and resid 1914 and name H ))
(( segid "B " and resid 77 and name HA ))
5.600 3.900 0.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 8.821 ppm2 3.427 CV 1
OR { 202}
(( segid "C " and resid 1914 and name H ))
(( segid "B " and resid 80 and name HB3 ))
OR { 202}
(( segid "C " and resid 1914 and name H ))
(( segid "A " and resid 77 and name HA ))
ASSI { 203}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1914 and name HA ))
3.000 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.25240E-02 ppm1 8.823 ppm2 3.596 CV 1
ASSI { 204}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1915 and name HA ))
4.600 2.600 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21208E-02 ppm1 8.823 ppm2 4.099 CV 1
OR { 204}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1916 and name HB2 ))
ASSI { 205}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HA ))
3.000 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.53409E-02 ppm1 8.822 ppm2 4.261 CV 1
OR { 205}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1911 and name HA ))
ASSI { 206}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1914 and name HB ))
2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.58369E-02 ppm1 8.824 ppm2 2.165 CV 1
ASSI { 207}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
3.700 1.800 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.45509E-02 ppm1 8.825 ppm2 2.322 CV 1
OR { 207}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 208}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 8.822 ppm2 2.561 CV 1
ASSI { 209}
(( segid "C " and resid 1914 and name H ))
(( segid "C " and resid 1913 and name HG2 ))
3.600 1.600 1.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 8.820 ppm2 2.504 CV 1
ASSI { 210}
(( segid "C " and resid 1914 and name H ))
( segid "C " and resid 1914 and name HG2%)
3.800 1.800 1.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.55762E-02 ppm1 8.824 ppm2 0.985 CV 1
ASSI { 211}
(( segid "C " and resid 1914 and name H ))
( segid "C " and resid 1914 and name HG1%)
2.600 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11170E-01 ppm1 8.825 ppm2 1.170 CV 1
ASSI { 213}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name H ))
2.500 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.65400E-02 ppm1 7.795 ppm2 7.615 CV 1
ASSI { 214}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HA ))
2.900 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.94470E-02 ppm1 7.797 ppm2 4.255 CV 1
OR { 214}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1910 and name HA ))
ASSI { 215}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HA ))
3.300 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.41035E-02 ppm1 7.796 ppm2 4.170 CV 1
ASSI { 216}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HG3 ))
2.900 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.76241E-02 ppm1 7.797 ppm2 2.559 CV 1
ASSI { 217}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HG2 ))
2.000 0.500 0.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.68571E-02 ppm1 7.798 ppm2 2.504 CV 1
ASSI { 218}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HB3 ))
3.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.80920E-02 ppm1 7.798 ppm2 2.315 CV 1
OR { 218}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 219}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HB2 ))
2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.48373E-02 ppm1 7.798 ppm2 2.153 CV 1
ASSI { 220}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HB3 ))
3.600 1.700 1.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.38734E-02 ppm1 7.800 ppm2 2.067 CV 1
ASSI { 221}
(( segid "C " and resid 1913 and name H ))
(( segid "C " and resid 1912 and name HG3 ))
4.800 2.800 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.25163E-02 ppm1 7.796 ppm2 1.962 CV 1
ASSI { 222}
(( segid "C " and resid 1913 and name H ))
( segid "C " and resid 1914 and name HG1%)
4.100 2.100 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.40882E-02 ppm1 7.800 ppm2 1.168 CV 1
ASSI { 224}
(( segid "C " and resid 1913 and name H ))
( segid "C " and resid 1914 and name HG2%)
5.800 4.200 0.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.21213E-02 ppm1 7.800 ppm2 0.991 CV 1
ASSI { 225}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name H ))
2.600 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.67446E-02 ppm1 7.613 ppm2 9.033 CV 1
ASSI { 227}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HA ))
2.900 1.100 1.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.46660E-02 ppm1 7.614 ppm2 4.252 CV 1
ASSI { 228}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HA ))
2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.95186E-02 ppm1 7.613 ppm2 4.158 CV 1
ASSI { 229}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HD3 ))
3.400 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 7.615 ppm2 3.395 CV 1
ASSI { 230}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HD2 ))
3.600 1.600 1.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.22438E-02 ppm1 7.616 ppm2 3.263 CV 1
ASSI { 231}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HB2 ))
3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.36101E-02 ppm1 7.613 ppm2 3.153 CV 1
ASSI { 232}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1911 and name HB3 ))
2.900 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.33416E-02 ppm1 7.616 ppm2 2.699 CV 1
ASSI { 233}
(( segid "C " and resid 1912 and name H ))
( segid "C " and resid 1909 and name HB% )
4.400 2.400 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.27127E-02 ppm1 7.609 ppm2 1.577 CV 1
ASSI { 234}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HG2 ))
2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.44282E-02 ppm1 7.613 ppm2 1.699 CV 1
ASSI { 235}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HG3 ))
3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.79795E-02 ppm1 7.613 ppm2 1.955 CV 1
ASSI { 236}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HB3 ))
3.600 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.74451E-02 ppm1 7.612 ppm2 2.071 CV 1
ASSI { 237}
(( segid "C " and resid 1912 and name H ))
(( segid "C " and resid 1912 and name HB2 ))
2.500 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.94854E-02 ppm1 7.612 ppm2 2.147 CV 1
ASSI { 238}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name H ))
2.600 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.65170E-02 ppm1 9.028 ppm2 8.138 CV 1
ASSI { 239}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HD21))
4.300 2.300 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.29044E-02 ppm1 9.026 ppm2 7.812 CV 1
ASSI { 241}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HD22))
5.200 3.400 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.28533E-02 ppm1 9.025 ppm2 7.441 CV 1
ASSI { 242}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HA ))
2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.54713E-02 ppm1 9.029 ppm2 4.261 CV 1
OR { 242}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HA ))
ASSI { 243}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1908 and name HA ))
3.600 1.600 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.24529E-02 ppm1 9.030 ppm2 4.463 CV 1
ASSI { 244}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HB2 ))
2.600 0.800 0.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.58446E-02 ppm1 9.028 ppm2 3.152 CV 1
ASSI { 245}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1911 and name HB3 ))
2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.53563E-02 ppm1 9.030 ppm2 2.696 CV 1
ASSI { 247}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
4.100 2.100 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 9.029 ppm2 2.559 CV 1
ASSI { 248}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
3.900 1.900 1.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.29121E-02 ppm1 9.030 ppm2 1.990 CV 1
OR { 248}
(( segid "C " and resid 1911 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 249}
(( segid "C " and resid 1911 and name H ))
( segid "C " and resid 1914 and name HG1%)
3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.50111E-02 ppm1 9.028 ppm2 1.161 CV 1
OR { 249}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG22))
OR { 249}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG23))
OR { 249}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG21))
ASSI { 250}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG12))
3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.30578E-02 ppm1 9.028 ppm2 0.976 CV 1
OR { 250}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG11))
OR { 250}
(( segid "C " and resid 1911 and name H ))
(( segid "A " and resid 77 and name HG13))
ASSI { 251}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG23))
2.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 7.816 ppm2 1.164 CV 1
OR { 251}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG22))
OR { 251}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG21))
OR { 251}
(( segid "C " and resid 1911 and name HD21))
( segid "C " and resid 1914 and name HG1%)
ASSI { 252}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG11))
2.600 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.26513E-02 ppm1 7.819 ppm2 0.966 CV 1
OR { 252}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG13))
OR { 252}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 77 and name HG12))
ASSI { 253}
(( segid "C " and resid 1911 and name HD21))
(( segid "C " and resid 1911 and name HB3 ))
3.800 1.800 1.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 7.820 ppm2 2.685 CV 1
ASSI { 254}
(( segid "C " and resid 1911 and name HD21))
(( segid "C " and resid 1911 and name HB2 ))
2.700 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.21758E-02 ppm1 7.812 ppm2 3.153 CV 1
ASSI { 255}
(( segid "C " and resid 1911 and name HD21))
( segid "C " and resid 1907 and name HB% )
5.300 3.500 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 7.805 ppm2 1.638 CV 1
ASSI { 256}
(( segid "C " and resid 1911 and name HD21))
(( segid "A " and resid 64 and name HB3 ))
3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.18600E-02 ppm1 7.812 ppm2 3.997 CV 1
ASSI { 257}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HB3 ))
4.300 2.300 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.22755E-02 ppm1 7.434 ppm2 2.689 CV 1
ASSI { 258}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1911 and name HB2 ))
3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.26999E-02 ppm1 7.435 ppm2 3.150 CV 1
ASSI { 259}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1915 and name HA ))
4.800 2.800 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19743E-02 ppm1 7.427 ppm2 4.077 CV 1
OR { 259}
(( segid "C " and resid 1911 and name HD22))
(( segid "B " and resid 84 and name HA ))
ASSI { 260}
(( segid "C " and resid 1911 and name HD22))
(( segid "C " and resid 1908 and name HA ))
4.700 2.800 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 7.433 ppm2 4.461 CV 1
ASSI { 261}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG11))
4.100 2.100 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.24999E-02 ppm1 7.436 ppm2 0.965 CV 1
OR { 261}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG13))
OR { 261}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG12))
ASSI { 262}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG23))
3.900 1.900 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.39041E-02 ppm1 7.436 ppm2 1.164 CV 1
OR { 262}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG22))
OR { 262}
(( segid "C " and resid 1911 and name HD22))
( segid "C " and resid 1914 and name HG1%)
OR { 262}
(( segid "C " and resid 1911 and name HD22))
(( segid "A " and resid 77 and name HG21))
ASSI { 263}
(( segid "C " and resid 1911 and name HD22))
( segid "C " and resid 1907 and name HB% )
5.800 4.200 0.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.21954E-02 ppm1 7.435 ppm2 1.641 CV 1
ASSI { 264}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1908 and name H ))
4.100 2.100 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 8.136 ppm2 8.908 CV 1
ASSI { 266}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1909 and name H ))
2.600 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11035E-01 ppm1 8.135 ppm2 8.077 CV 1
ASSI { 267}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1912 and name H ))
3.900 1.900 1.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24033E-02 ppm1 8.137 ppm2 7.614 CV 1
ASSI { 268}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HA ))
2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.79513E-02 ppm1 8.134 ppm2 4.260 CV 1
ASSI { 269}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1909 and name HA ))
3.700 1.700 1.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.35461E-02 ppm1 8.137 ppm2 4.130 CV 1
ASSI { 270}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1907 and name HA ))
3.500 1.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.31626E-02 ppm1 8.133 ppm2 3.765 CV 1
ASSI { 271}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HB2 ))
2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.90661E-02 ppm1 8.136 ppm2 2.557 CV 1
ASSI { 272}
(( segid "C " and resid 1910 and name H ))
(( segid "B " and resid 73 and name HB3 ))
4.000 2.000 2.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.77673E-02 ppm1 8.135 ppm2 2.269 CV 1
ASSI { 273}
(( segid "C " and resid 1910 and name H ))
(( segid "C " and resid 1910 and name HG3 ))
3.600 1.600 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.66193E-02 ppm1 8.133 ppm2 1.988 CV 1
ASSI { 274}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG12))
4.600 2.600 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.21098E-02 ppm1 8.134 ppm2 0.966 CV 1
OR { 274}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG13))
OR { 274}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG11))
ASSI { 275}
(( segid "C " and resid 1910 and name H ))
( segid "C " and resid 1914 and name HG1%)
4.300 2.300 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53358E-02 ppm1 8.137 ppm2 1.162 CV 1
OR { 275}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG22))
OR { 275}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG23))
OR { 275}
(( segid "C " and resid 1910 and name H ))
(( segid "A " and resid 77 and name HG21))
ASSI { 276}
(( segid "C " and resid 1910 and name H ))
( segid "C " and resid 1909 and name HB% )
2.400 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13729E-01 ppm1 8.134 ppm2 1.574 CV 1
ASSI { 277}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name H ))
2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.12390E-01 ppm1 8.066 ppm2 8.905 CV 1
ASSI { 279}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HA ))
3.400 1.500 1.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.47197E-02 ppm1 8.070 ppm2 4.460 CV 1
ASSI { 280}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1909 and name HA ))
2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11866E-01 ppm1 8.068 ppm2 4.134 CV 1
ASSI { 281}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1906 and name HB ))
4.300 2.400 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 8.068 ppm2 4.589 CV 1
ASSI { 282}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1906 and name HA ))
3.400 1.400 1.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 8.068 ppm2 4.666 CV 1
ASSI { 283}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HB2 ))
3.500 1.600 1.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.91658E-02 ppm1 8.067 ppm2 2.935 CV 1
ASSI { 284}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1908 and name HB3 ))
2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10605E-01 ppm1 8.069 ppm2 2.820 CV 1
ASSI { 285}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1910 and name HA ))
4.500 2.600 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.24174E-02 ppm1 8.070 ppm2 4.266 CV 1
OR { 285}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1911 and name HA ))
ASSI { 286}
(( segid "C " and resid 1909 and name H ))
( segid "C " and resid 1909 and name HB% )
2.200 0.600 0.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.37865E-01 ppm1 8.068 ppm2 1.572 CV 1
ASSI { 287}
(( segid "C " and resid 1909 and name H ))
( segid "C " and resid 1907 and name HB% )
4.300 2.300 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.32854E-02 ppm1 8.065 ppm2 1.642 CV 1
ASSI { 288}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
2.600 2.600 3.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.28916E-02 ppm1 8.074 ppm2 2.268 CV 1
OR { 288}
(( segid "C " and resid 1909 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 291}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1907 and name H ))
2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11083E-01 ppm1 8.901 ppm2 7.670 CV 1
ASSI { 292}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HA ))
2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.12433E-01 ppm1 8.902 ppm2 4.462 CV 1
ASSI { 293}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1906 and name HA ))
3.600 1.600 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.30118E-02 ppm1 8.900 ppm2 4.667 CV 1
ASSI { 294}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1907 and name HA ))
3.300 1.400 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.32445E-02 ppm1 8.904 ppm2 3.762 CV 1
ASSI { 295}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HB3 ))
2.400 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.18546E-01 ppm1 8.902 ppm2 2.821 CV 1
ASSI { 296}
(( segid "C " and resid 1908 and name H ))
(( segid "C " and resid 1908 and name HB2 ))
2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21694E-01 ppm1 8.902 ppm2 2.936 CV 1
ASSI { 298}
(( segid "C " and resid 1908 and name H ))
(( segid "A " and resid 77 and name HG22))
4.200 2.200 1.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.29607E-02 ppm1 8.901 ppm2 1.161 CV 1
OR { 298}
(( segid "C " and resid 1908 and name H ))
(( segid "A " and resid 77 and name HG21))
OR { 298}
(( segid "C " and resid 1908 and name H ))
(( segid "A " and resid 77 and name HG23))
ASSI { 299}
(( segid "C " and resid 1908 and name H ))
( segid "C " and resid 1906 and name HG2%)
4.900 3.000 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.17669E-02 ppm1 8.906 ppm2 1.317 CV 1
ASSI { 300}
(( segid "C " and resid 1908 and name H ))
( segid "C " and resid 1907 and name HB% )
2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13249E-01 ppm1 8.901 ppm2 1.639 CV 1
ASSI { 301}
(( segid "C " and resid 1908 and name H ))
( segid "C " and resid 1909 and name HB% )
4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.60543E-02 ppm1 8.903 ppm2 1.570 CV 1
ASSI { 303}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1906 and name HA ))
3.200 1.200 1.200 peak 303 spectrum 1 weight 0.10000E+01 volume 0.54662E-02 ppm1 7.672 ppm2 4.670 CV 1
ASSI { 304}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 61 and name HA ))
4.500 2.600 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.20620E-02 ppm1 7.673 ppm2 4.479 CV 1
ASSI { 305}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HA ))
3.500 1.500 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34669E-02 ppm1 7.671 ppm2 4.086 CV 1
ASSI { 306}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1907 and name HA ))
2.600 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.78184E-02 ppm1 7.671 ppm2 3.761 CV 1
ASSI { 307}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1908 and name HB2 ))
4.700 2.700 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.31626E-02 ppm1 7.670 ppm2 2.918 CV 1
ASSI { 308}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
4.500 2.600 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.27306E-02 ppm1 7.668 ppm2 2.281 CV 1
OR { 308}
(( segid "C " and resid 1907 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 309}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 85 and name HG3 ))
4.700 2.800 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 7.669 ppm2 2.575 CV 1
OR { 309}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 85 and name HB2 ))
OR { 309}
(( segid "C " and resid 1907 and name H ))
(( segid "B " and resid 76 and name HB3 ))
ASSI { 310}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 77 and name HG22))
4.700 2.700 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.40600E-02 ppm1 7.671 ppm2 1.158 CV 1
OR { 310}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 77 and name HG21))
OR { 310}
(( segid "C " and resid 1907 and name H ))
(( segid "A " and resid 77 and name HG23))
ASSI { 311}
(( segid "C " and resid 1907 and name H ))
( segid "C " and resid 1906 and name HG2%)
4.300 2.300 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.28967E-02 ppm1 7.669 ppm2 1.314 CV 1
ASSI { 312}
(( segid "C " and resid 1907 and name H ))
( segid "C " and resid 1907 and name HB% )
2.200 0.600 0.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.24810E-01 ppm1 7.671 ppm2 1.639 CV 1
ASSI { 313}
(( segid "C " and resid 1907 and name H ))
( segid "C " and resid 1909 and name HB% )
4.400 2.500 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 7.666 ppm2 1.568 CV 1
OR { 313}
(( segid "C " and resid 1907 and name H ))
( segid "C " and resid 1903 and name HB% )
ASSI { 314}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1906 and name HA ))
2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.77570E-02 ppm1 7.649 ppm2 4.668 CV 1
ASSI { 315}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1906 and name HB ))
3.300 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.39169E-02 ppm1 7.644 ppm2 4.582 CV 1
ASSI { 316}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HA ))
3.300 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.50725E-02 ppm1 7.648 ppm2 4.089 CV 1
ASSI { 317}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HG3 ))
4.000 2.000 2.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.24092E-02 ppm1 7.649 ppm2 2.647 CV 1
ASSI { 318}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HG2 ))
4.500 2.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22438E-02 ppm1 7.644 ppm2 2.559 CV 1
ASSI { 319}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.82863E-02 ppm1 7.647 ppm2 2.281 CV 1
OR { 319}
(( segid "C " and resid 1906 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 320}
(( segid "C " and resid 1906 and name H ))
( segid "C " and resid 1907 and name HB% )
4.300 2.300 1.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.42365E-02 ppm1 7.647 ppm2 1.640 CV 1
ASSI { 321}
(( segid "C " and resid 1906 and name H ))
( segid "C " and resid 1906 and name HG2%)
3.200 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.10899E-01 ppm1 7.648 ppm2 1.315 CV 1
ASSI { 322}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1904 and name H ))
2.500 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.68980E-02 ppm1 7.644 ppm2 7.460 CV 1
ASSI { 323}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1904 and name HA ))
3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 7.642 ppm2 4.690 CV 1
ASSI { 324}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1902 and name HA ))
3.600 1.600 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.33391E-02 ppm1 7.643 ppm2 4.654 CV 1
ASSI { 325}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1903 and name HA ))
3.800 1.800 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 7.644 ppm2 4.333 CV 1
ASSI { 326}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HA ))
2.700 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.10102E-01 ppm1 7.643 ppm2 4.092 CV 1
ASSI { 327}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HG2 ))
4.100 2.100 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.62665E-02 ppm1 7.644 ppm2 2.562 CV 1
ASSI { 328}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HG3 ))
3.900 1.900 1.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.68929E-02 ppm1 7.643 ppm2 2.656 CV 1
ASSI { 329}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
2.300 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.20640E-01 ppm1 7.644 ppm2 2.284 CV 1
OR { 329}
(( segid "C " and resid 1905 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 330}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1906 and name HG2%)
4.900 3.000 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.24529E-02 ppm1 7.642 ppm2 1.310 CV 1
ASSI { 331}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1904 and name HG2%)
4.200 2.200 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.28431E-02 ppm1 7.644 ppm2 1.471 CV 1
ASSI { 332}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1903 and name HB% )
4.300 2.300 1.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 7.640 ppm2 1.565 CV 1
ASSI { 333}
(( segid "C " and resid 1905 and name H ))
( segid "C " and resid 1907 and name HB% )
4.600 2.700 1.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.16703E-02 ppm1 7.641 ppm2 1.635 CV 1
ASSI { 338}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1903 and name HA ))
3.900 1.900 1.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.22021E-02 ppm1 7.457 ppm2 4.330 CV 1
ASSI { 340}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1900 and name HA ))
3.300 1.400 1.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14563E-02 ppm1 7.462 ppm2 4.101 CV 1
ASSI { 341}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1902 and name HB3 ))
4.200 2.200 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.16872E-02 ppm1 7.463 ppm2 2.855 CV 1
ASSI { 343}
(( segid "C " and resid 1904 and name H ))
(( segid "A " and resid 85 and name HB3 ))
5.000 3.100 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 7.461 ppm2 2.283 CV 1
OR { 343}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1905 and name HB3 ))
OR { 343}
(( segid "C " and resid 1904 and name H ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 344}
(( segid "C " and resid 1904 and name H ))
( segid "C " and resid 1903 and name HB% )
2.600 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.52745E-02 ppm1 7.460 ppm2 1.565 CV 1
ASSI { 345}
(( segid "C " and resid 1904 and name H ))
( segid "C " and resid 1904 and name HG2%)
2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.45867E-02 ppm1 7.462 ppm2 1.474 CV 1
ASSI { 346}
(( segid "C " and resid 1904 and name H ))
(( segid "A " and resid 58 and name HD12))
4.500 2.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 7.460 ppm2 0.827 CV 1
OR { 346}
(( segid "C " and resid 1904 and name H ))
(( segid "A " and resid 58 and name HD11))
OR { 346}
(( segid "C " and resid 1904 and name H ))
(( segid "A " and resid 58 and name HD13))
ASSI { 347}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name H ))
2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.87465E-02 ppm1 8.258 ppm2 7.412 CV 1
ASSI { 348}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1904 and name H ))
2.700 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.72431E-02 ppm1 8.258 ppm2 7.452 CV 1
ASSI { 349}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name HA ))
3.400 1.400 1.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.39348E-02 ppm1 8.257 ppm2 4.657 CV 1
ASSI { 350}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1903 and name HA ))
2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.90226E-02 ppm1 8.257 ppm2 4.337 CV 1
ASSI { 351}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1900 and name HA ))
3.400 1.400 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.39399E-02 ppm1 8.257 ppm2 4.105 CV 1
ASSI { 352}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name HB2 ))
3.100 1.200 1.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.87644E-02 ppm1 8.257 ppm2 2.858 CV 1
OR { 352}
(( segid "C " and resid 1903 and name H ))
(( segid "C " and resid 1902 and name HB3 ))
ASSI { 353}
(( segid "C " and resid 1903 and name H ))
( segid "C " and resid 1903 and name HB% )
2.000 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.20865E-01 ppm1 8.258 ppm2 1.567 CV 1
ASSI { 354}
(( segid "C " and resid 1903 and name H ))
( segid "C " and resid 1904 and name HG2%)
4.500 2.500 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.27842E-02 ppm1 8.254 ppm2 1.484 CV 1
ASSI { 356}
(( segid "C " and resid 1902 and name H ))
(( segid "C " and resid 1902 and name HA ))
3.700 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 7.407 ppm2 4.655 CV 1
ASSI { 358}
(( segid "C " and resid 1902 and name H ))
(( segid "C " and resid 1902 and name HB2 ))
3.400 1.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.29095E-02 ppm1 7.401 ppm2 2.853 CV 1
OR { 358}
(( segid "C " and resid 1902 and name H ))
(( segid "C " and resid 1902 and name HB3 ))
ASSI { 359}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1899 and name HA ))
3.600 1.600 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.28916E-02 ppm1 9.107 ppm2 4.580 CV 1
ASSI { 360}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HA ))
2.900 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 9.105 ppm2 4.107 CV 1
ASSI { 361}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1899 and name HG2 ))
3.900 1.900 1.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.21315E-02 ppm1 9.104 ppm2 2.462 CV 1
ASSI { 362}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HB3 ))
3.400 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.38760E-02 ppm1 9.102 ppm2 2.090 CV 1
ASSI { 363}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1900 and name HB2 ))
2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17301E-02 ppm1 9.104 ppm2 1.598 CV 1
ASSI { 364}
(( segid "C " and resid 1900 and name H ))
( segid "C " and resid 1900 and name HD2%)
3.500 1.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.13479E-02 ppm1 9.113 ppm2 1.088 CV 1
ASSI { 365}
(( segid "C " and resid 1900 and name H ))
( segid "C " and resid 1900 and name HD1%)
4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.14594E-02 ppm1 9.100 ppm2 0.985 CV 1
ASSI { 366}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1897 and name HG3 ))
4.700 2.800 1.300 peak 366 spectrum 1 weight 0.10000E+01 volume 0.15376E-02 ppm1 9.106 ppm2 2.378 CV 1
OR { 366}
(( segid "C " and resid 1900 and name H ))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 367}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1900 and name H ))
2.500 0.800 0.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 8.738 ppm2 9.100 CV 1
ASSI { 368}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name H ))
3.600 1.600 1.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.44384E-02 ppm1 8.741 ppm2 8.035 CV 1
ASSI { 369}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1902 and name H ))
4.700 2.800 1.300 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 8.744 ppm2 7.402 CV 1
ASSI { 370}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HA ))
2.000 0.500 0.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16731E-01 ppm1 8.740 ppm2 4.566 CV 1
ASSI { 371}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1897 and name HA ))
2.800 2.800 3.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 8.736 ppm2 4.360 CV 1
ASSI { 373}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HD3 ))
4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.22849E-02 ppm1 8.744 ppm2 3.253 CV 1
OR { 373}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HD2 ))
ASSI { 375}
(( segid "C " and resid 1899 and name H ))
(( segid "A " and resid 45 and name HB3 ))
4.100 2.100 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 8.741 ppm2 2.870 CV 1
OR { 375}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1902 and name HB2 ))
ASSI { 376}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HG3 ))
2.900 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.70437E-02 ppm1 8.741 ppm2 2.545 CV 1
ASSI { 377}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HG2 ))
1.900 0.500 0.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.12121E-01 ppm1 8.741 ppm2 2.467 CV 1
ASSI { 378}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HB2 ))
3.300 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.11142E-01 ppm1 8.741 ppm2 2.029 CV 1
OR { 378}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HB2 ))
ASSI { 379}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HG3 ))
3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.33314E-02 ppm1 8.744 ppm2 1.783 CV 1
ASSI { 380}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1898 and name HB3 ))
3.800 1.800 1.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.43285E-02 ppm1 8.740 ppm2 1.877 CV 1
ASSI { 381}
(( segid "C " and resid 1899 and name H ))
(( segid "C " and resid 1899 and name HB3 ))
3.300 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.49626E-02 ppm1 8.742 ppm2 2.070 CV 1
ASSI { 382}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HG3 ))
3.800 1.900 1.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.80868E-02 ppm1 8.034 ppm2 1.783 CV 1
ASSI { 383}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HB3 ))
2.600 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.98049E-02 ppm1 8.035 ppm2 1.883 CV 1
ASSI { 384}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HB2 ))
2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.87823E-02 ppm1 8.032 ppm2 2.042 CV 1
ASSI { 385}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1897 and name HB2 ))
4.000 2.000 2.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.55659E-02 ppm1 8.035 ppm2 2.151 CV 1
ASSI { 387}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1897 and name HG3 ))
3.600 1.600 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.54355E-02 ppm1 8.034 ppm2 2.378 CV 1
OR { 387}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1897 and name HG2 ))
ASSI { 388}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HD2 ))
4.800 2.900 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.23603E-02 ppm1 8.028 ppm2 3.253 CV 1
OR { 388}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HD3 ))
ASSI { 389}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1897 and name HA ))
2.300 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.21591E-01 ppm1 8.034 ppm2 4.363 CV 1
ASSI { 390}
(( segid "C " and resid 1898 and name H ))
(( segid "C " and resid 1898 and name HA ))
2.800 1.000 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.88257E-02 ppm1 8.034 ppm2 4.565 CV 1
ASSI { 2}
(( segid "C " and resid 1935 and name HA ))
(( segid "C " and resid 1935 and name H ))
3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.47129E-02 ppm1 4.305 ppm2 8.050 CV 1
ASSI { 4}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1932 and name HA ))
2.400 2.400 3.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.46714E-02 ppm1 1.357 ppm2 4.089 CV 1
ASSI { 5}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1935 and name HA ))
2.300 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.42678E-01 ppm1 1.356 ppm2 4.308 CV 1
ASSI { 6}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1933 and name HD3 ))
3.400 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.24245E-02 ppm1 1.360 ppm2 3.149 CV 1
ASSI { 8}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1933 and name HB3 ))
3.300 1.400 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.36161E-02 ppm1 1.358 ppm2 1.773 CV 1
ASSI { 10}
( segid "C " and resid 1935 and name HB% )
(( segid "C " and resid 1935 and name H ))
3.000 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.13545E-01 ppm1 1.357 ppm2 8.044 CV 1
ASSI { 11}
( segid "C " and resid 1935 and name HB% )
( segid "B " and resid 45 and name HD% )
4.300 2.400 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.29616E-02 ppm1 1.353 ppm2 7.312 CV 1
ASSI { 12}
(( segid "C " and resid 1934 and name HA ))
(( segid "C " and resid 1934 and name HG2 ))
3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.87170E-02 ppm1 4.461 ppm2 2.540 CV 1
ASSI { 13}
(( segid "C " and resid 1934 and name HA ))
(( segid "C " and resid 1934 and name HB3 ))
2.600 0.800 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.11626E-01 ppm1 4.462 ppm2 2.115 CV 1
ASSI { 14}
(( segid "C " and resid 1934 and name HA ))
(( segid "C " and resid 1934 and name HB2 ))
3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.78011E-02 ppm1 4.461 ppm2 1.948 CV 1
ASSI { 15}
(( segid "C " and resid 1934 and name HB2 ))
(( segid "C " and resid 1934 and name HB3 ))
1.900 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15713E-01 ppm1 1.951 ppm2 2.115 CV 1
ASSI { 17}
(( segid "C " and resid 1934 and name HA ))
(( segid "C " and resid 1934 and name H ))
3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.45835E-02 ppm1 4.463 ppm2 8.088 CV 1
ASSI { 18}
(( segid "C " and resid 1934 and name HA ))
(( segid "C " and resid 1935 and name H ))
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.58082E-02 ppm1 4.461 ppm2 8.053 CV 1
ASSI { 19}
(( segid "C " and resid 1934 and name HG3 ))
(( segid "C " and resid 1934 and name H ))
4.100 2.100 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21852E-02 ppm1 2.557 ppm2 8.092 CV 1
ASSI { 20}
(( segid "C " and resid 1934 and name HG2 ))
(( segid "C " and resid 1934 and name H ))
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.20826E-02 ppm1 2.518 ppm2 8.092 CV 1
ASSI { 21}
(( segid "C " and resid 1934 and name HG3 ))
(( segid "C " and resid 1934 and name HA ))
3.400 1.500 1.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.43755E-02 ppm1 2.563 ppm2 4.454 CV 1
ASSI { 23}
(( segid "C " and resid 1934 and name HG3 ))
(( segid "C " and resid 1934 and name HB2 ))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.47681E-02 ppm1 2.565 ppm2 1.943 CV 1
ASSI { 24}
(( segid "C " and resid 1934 and name HG2 ))
(( segid "C " and resid 1934 and name HB2 ))
3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.38228E-02 ppm1 2.526 ppm2 1.943 CV 1
ASSI { 25}
(( segid "C " and resid 1934 and name HG3 ))
(( segid "C " and resid 1934 and name HB3 ))
2.900 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.59969E-02 ppm1 2.564 ppm2 2.119 CV 1
ASSI { 26}
(( segid "C " and resid 1934 and name HG2 ))
(( segid "C " and resid 1934 and name HB3 ))
3.500 1.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.32415E-02 ppm1 2.528 ppm2 2.128 CV 1
ASSI { 27}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1933 and name HA ))
3.200 1.300 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.99090E-02 ppm1 2.161 ppm2 4.270 CV 1
ASSI { 28}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1934 and name HA ))
2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.76998E-02 ppm1 2.159 ppm2 4.463 CV 1
ASSI { 29}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 10 and name HA ))
2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.14378E-01 ppm1 2.160 ppm2 4.559 CV 1
ASSI { 30}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1934 and name HG3 ))
2.600 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.20407E-01 ppm1 2.161 ppm2 2.550 CV 1
OR { 30}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1934 and name HB3 ))
ASSI { 31}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1934 and name H ))
3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.25125E-02 ppm1 2.158 ppm2 8.100 CV 1
OR { 31}
( segid "C " and resid 1934 and name HE% )
(( segid "B " and resid 91 and name H ))
ASSI { 33}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD12))
3.400 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.64342E-02 ppm1 2.160 ppm2 0.834 CV 1
OR { 33}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD13))
OR { 33}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD11))
ASSI { 34}
( segid "C " and resid 1934 and name HE% )
( segid "C " and resid 1930 and name HG1%)
3.000 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.75940E-02 ppm1 2.158 ppm2 0.937 CV 1
ASSI { 35}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 13 and name HG12))
3.800 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66137E-02 ppm1 2.158 ppm2 1.277 CV 1
OR { 35}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 13 and name HG13))
OR { 35}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 13 and name HG11))
ASSI { 36}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD23))
4.400 2.400 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.36713E-02 ppm1 2.159 ppm2 0.668 CV 1
OR { 36}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD22))
OR { 36}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 9 and name HD21))
ASSI { 37}
( segid "C " and resid 1934 and name HE% )
( segid "B " and resid 45 and name HE% )
2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.74743E-02 ppm1 2.161 ppm2 7.148 CV 1
ASSI { 40}
( segid "C " and resid 1934 and name HE% )
( segid "B " and resid 45 and name HD% )
3.800 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.45532E-02 ppm1 2.157 ppm2 7.313 CV 1
ASSI { 41}
( segid "C " and resid 1934 and name HE% )
(( segid "B " and resid 90 and name H ))
4.400 2.400 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.49246E-02 ppm1 2.161 ppm2 7.747 CV 1
ASSI { 42}
( segid "C " and resid 1934 and name HE% )
(( segid "B " and resid 83 and name HA ))
4.200 2.200 1.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 2.163 ppm2 3.946 CV 1
OR { 42}
( segid "C " and resid 1934 and name HE% )
(( segid "B " and resid 88 and name HA ))
ASSI { 44}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 13 and name HA ))
4.600 2.600 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 2.161 ppm2 4.077 CV 1
OR { 44}
( segid "C " and resid 1934 and name HE% )
(( segid "A " and resid 6 and name HA ))
ASSI { 45}
( segid "C " and resid 1934 and name HE% )
(( segid "C " and resid 1931 and name HG2 ))
3.300 1.400 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.47313E-02 ppm1 2.157 ppm2 1.435 CV 1
ASSI { 51}
(( segid "C " and resid 1930 and name HA ))
(( segid "C " and resid 1930 and name HB ))
3.200 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 4.304 ppm2 1.879 CV 1
ASSI { 52}
(( segid "C " and resid 1930 and name HA ))
(( segid "C " and resid 1931 and name HD2 ))
2.900 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.32272E-02 ppm1 4.304 ppm2 3.291 CV 1
ASSI { 53}
(( segid "C " and resid 1930 and name HA ))
(( segid "C " and resid 1931 and name HD3 ))
2.500 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.35356E-02 ppm1 4.301 ppm2 3.387 CV 1
ASSI { 54}
(( segid "C " and resid 1930 and name HA ))
(( segid "C " and resid 1930 and name H ))
3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18281E-02 ppm1 4.303 ppm2 7.975 CV 1
ASSI { 55}
(( segid "C " and resid 1930 and name HB ))
(( segid "C " and resid 1930 and name H ))
2.900 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.43097E-02 ppm1 1.886 ppm2 7.976 CV 1
ASSI { 59}
( segid "C " and resid 1930 and name HG1%)
( segid "C " and resid 1930 and name HG2%)
2.100 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.45306E-01 ppm1 0.934 ppm2 1.019 CV 1
ASSI { 60}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1930 and name HB ))
2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.22161E-01 ppm1 0.935 ppm2 1.885 CV 1
ASSI { 61}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1934 and name HG2 ))
3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.43576E-02 ppm1 0.931 ppm2 2.539 CV 1
ASSI { 62}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 90 and name HB2 ))
3.500 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 0.935 ppm2 3.051 CV 1
ASSI { 63}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1931 and name HD2 ))
2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 0.934 ppm2 3.277 CV 1
ASSI { 64}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1931 and name HD3 ))
3.500 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.55873E-02 ppm1 0.936 ppm2 3.388 CV 1
ASSI { 65}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1930 and name HA ))
2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.16997E-01 ppm1 0.936 ppm2 4.301 CV 1
ASSI { 66}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 86 and name HA ))
2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.15188E-01 ppm1 0.935 ppm2 4.257 CV 1
ASSI { 67}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 89 and name HA ))
4.500 2.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.27242E-02 ppm1 0.932 ppm2 4.442 CV 1
OR { 67}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1929 and name HA ))
ASSI { 68}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1930 and name HA ))
2.400 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11934E-01 ppm1 1.021 ppm2 4.307 CV 1
ASSI { 69}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 86 and name HA ))
2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.11897E-01 ppm1 1.020 ppm2 4.263 CV 1
ASSI { 70}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1929 and name HA ))
3.600 1.600 1.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.55781E-02 ppm1 1.018 ppm2 4.421 CV 1
ASSI { 71}
( segid "C " and resid 1930 and name HG1%)
( segid "B " and resid 45 and name HE% )
3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.36345E-02 ppm1 0.932 ppm2 7.137 CV 1
ASSI { 72}
( segid "C " and resid 1930 and name HG1%)
( segid "B " and resid 45 and name HD% )
3.000 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.53894E-02 ppm1 0.935 ppm2 7.323 CV 1
ASSI { 73}
( segid "C " and resid 1930 and name HG1%)
( segid "B " and resid 89 and name HD% )
3.900 1.900 1.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.50396E-02 ppm1 0.933 ppm2 7.269 CV 1
ASSI { 74}
( segid "C " and resid 1930 and name HG2%)
( segid "B " and resid 45 and name HE% )
3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.44832E-02 ppm1 1.018 ppm2 7.146 CV 1
ASSI { 75}
( segid "C " and resid 1930 and name HG2%)
( segid "B " and resid 89 and name HD% )
3.900 1.900 1.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.59969E-02 ppm1 1.019 ppm2 7.270 CV 1
ASSI { 76}
( segid "C " and resid 1930 and name HG2%)
( segid "B " and resid 45 and name HD% )
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.94948E-02 ppm1 1.019 ppm2 7.316 CV 1
ASSI { 77}
( segid "C " and resid 1930 and name HG1%)
(( segid "C " and resid 1930 and name H ))
3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.78839E-02 ppm1 0.935 ppm2 7.972 CV 1
ASSI { 78}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1930 and name H ))
2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.17710E-01 ppm1 1.020 ppm2 7.976 CV 1
ASSI { 79}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1931 and name HD2 ))
3.400 1.500 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.48647E-02 ppm1 1.021 ppm2 3.282 CV 1
ASSI { 80}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1931 and name HD3 ))
3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.41776E-02 ppm1 1.018 ppm2 3.394 CV 1
ASSI { 81}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HE3 ))
2.700 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.91128E-02 ppm1 1.022 ppm2 2.097 CV 1
OR { 81}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HE1 ))
OR { 81}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HE2 ))
ASSI { 82}
( segid "C " and resid 1930 and name HG2%)
(( segid "C " and resid 1930 and name HB ))
2.100 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.24071E-01 ppm1 1.020 ppm2 1.885 CV 1
ASSI { 83}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HB3 ))
3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.53342E-02 ppm1 1.018 ppm2 2.314 CV 1
ASSI { 84}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HB2 ))
3.800 1.800 1.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.52145E-02 ppm1 1.020 ppm2 2.469 CV 1
ASSI { 85}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 85 and name HG3 ))
4.100 2.100 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.26584E-02 ppm1 1.021 ppm2 2.656 CV 1
ASSI { 86}
( segid "C " and resid 1930 and name HG2%)
(( segid "B " and resid 90 and name HB3 ))
4.700 2.800 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.23320E-02 ppm1 1.019 ppm2 2.928 CV 1
ASSI { 87}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 85 and name HE3 ))
3.600 1.600 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.52790E-02 ppm1 0.937 ppm2 2.095 CV 1
OR { 87}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 85 and name HE1 ))
OR { 87}
( segid "C " and resid 1930 and name HG1%)
(( segid "B " and resid 85 and name HE2 ))
ASSI { 90}
(( segid "C " and resid 1929 and name HA ))
(( segid "C " and resid 1929 and name H ))
3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19703E-02 ppm1 4.422 ppm2 8.595 CV 1
ASSI { 91}
(( segid "C " and resid 1929 and name HA ))
(( segid "C " and resid 1930 and name H ))
2.300 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10415E-01 ppm1 4.424 ppm2 7.979 CV 1
ASSI { 92}
(( segid "C " and resid 1929 and name HB ))
(( segid "C " and resid 1929 and name H ))
3.700 1.700 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.30003E-02 ppm1 2.001 ppm2 8.603 CV 1
ASSI { 93}
(( segid "C " and resid 1929 and name HB ))
(( segid "C " and resid 1930 and name H ))
2.900 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.63191E-02 ppm1 1.997 ppm2 7.975 CV 1
ASSI { 94}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1929 and name H ))
3.300 1.300 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.80266E-02 ppm1 0.873 ppm2 8.598 CV 1
ASSI { 95}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 48 and name H ))
3.700 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.43074E-02 ppm1 0.875 ppm2 8.265 CV 1
ASSI { 96}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1930 and name H ))
3.300 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.13858E-01 ppm1 0.874 ppm2 7.979 CV 1
ASSI { 97}
( segid "C " and resid 1929 and name HG1%)
( segid "C " and resid 1928 and name HD% )
3.700 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.61994E-02 ppm1 0.874 ppm2 7.314 CV 1
ASSI { 98}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1929 and name H ))
2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13209E-01 ppm1 0.765 ppm2 8.600 CV 1
ASSI { 99}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 48 and name H ))
3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.36879E-02 ppm1 0.766 ppm2 8.270 CV 1
ASSI { 100}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1930 and name H ))
3.500 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.77320E-02 ppm1 0.766 ppm2 7.978 CV 1
ASSI { 101}
( segid "C " and resid 1929 and name HG2%)
( segid "C " and resid 1928 and name HD% )
3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.73961E-02 ppm1 0.765 ppm2 7.314 CV 1
OR { 101}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 46 and name H ))
ASSI { 103}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1928 and name HA ))
3.800 1.800 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.31338E-02 ppm1 0.875 ppm2 5.350 CV 1
ASSI { 104}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1928 and name HA ))
3.300 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.40041E-02 ppm1 0.765 ppm2 5.348 CV 1
ASSI { 105}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 45 and name HA ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34693E-02 ppm1 0.874 ppm2 4.847 CV 1
ASSI { 106}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 46 and name HA ))
4.500 2.600 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.28549E-02 ppm1 0.875 ppm2 4.754 CV 1
ASSI { 107}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 45 and name HA ))
3.200 1.300 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.65078E-02 ppm1 0.764 ppm2 4.844 CV 1
ASSI { 108}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 46 and name HA ))
4.000 2.000 2.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.33639E-02 ppm1 0.769 ppm2 4.750 CV 1
ASSI { 109}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1929 and name HA ))
3.200 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.92923E-02 ppm1 0.763 ppm2 4.425 CV 1
ASSI { 110}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1931 and name HA ))
3.400 1.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.42338E-02 ppm1 0.767 ppm2 4.295 CV 1
ASSI { 111}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 47 and name HA2 ))
4.200 2.200 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.52145E-02 ppm1 0.764 ppm2 4.164 CV 1
ASSI { 112}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1929 and name HA ))
2.300 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.18382E-01 ppm1 0.874 ppm2 4.422 CV 1
ASSI { 113}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1930 and name HA ))
4.300 2.300 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.36916E-02 ppm1 0.875 ppm2 4.303 CV 1
ASSI { 114}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 47 and name HA2 ))
4.700 2.800 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.64802E-02 ppm1 0.873 ppm2 4.167 CV 1
ASSI { 116}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 47 and name HA3 ))
3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.72994E-02 ppm1 0.875 ppm2 3.744 CV 1
ASSI { 117}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 47 and name HA3 ))
3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.43907E-02 ppm1 0.764 ppm2 3.742 CV 1
ASSI { 118}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1928 and name HB2 ))
4.300 2.300 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.31319E-02 ppm1 0.870 ppm2 3.074 CV 1
OR { 118}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 45 and name HB3 ))
ASSI { 120}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1931 and name HD3 ))
4.700 2.700 1.300 peak 120 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 0.872 ppm2 3.398 CV 1
ASSI { 121}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1931 and name HD3 ))
4.100 2.100 1.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.24715E-02 ppm1 0.762 ppm2 3.406 CV 1
OR { 121}
( segid "C " and resid 1929 and name HG2%)
(( segid "B " and resid 45 and name HB2 ))
ASSI { 122}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1928 and name HB2 ))
4.300 2.300 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.35176E-02 ppm1 0.768 ppm2 3.107 CV 1
ASSI { 126}
(( segid "C " and resid 1929 and name HA ))
(( segid "C " and resid 1929 and name HB ))
2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.59831E-02 ppm1 4.424 ppm2 1.996 CV 1
ASSI { 129}
( segid "C " and resid 1929 and name HG1%)
( segid "C " and resid 1929 and name HG2%)
2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.52606E-01 ppm1 0.874 ppm2 0.770 CV 1
ASSI { 131}
( segid "C " and resid 1929 and name HG2%)
(( segid "C " and resid 1929 and name HB ))
2.300 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.26735E-01 ppm1 0.765 ppm2 1.996 CV 1
ASSI { 132}
( segid "C " and resid 1929 and name HG1%)
(( segid "C " and resid 1929 and name HB ))
2.200 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.34251E-01 ppm1 0.874 ppm2 1.996 CV 1
ASSI { 133}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 85 and name HE1 ))
3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.55137E-02 ppm1 0.875 ppm2 2.094 CV 1
OR { 133}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 85 and name HE3 ))
OR { 133}
( segid "C " and resid 1929 and name HG1%)
(( segid "B " and resid 85 and name HE2 ))
ASSI { 134}
(( segid "C " and resid 1928 and name HA ))
(( segid "C " and resid 1928 and name H ))
3.100 1.200 1.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24333E-02 ppm1 5.345 ppm2 7.025 CV 1
ASSI { 135}
(( segid "C " and resid 1928 and name HA ))
( segid "C " and resid 1928 and name HD% )
4.000 2.000 2.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25704E-02 ppm1 5.348 ppm2 7.309 CV 1
ASSI { 137}
(( segid "C " and resid 1928 and name HA ))
(( segid "C " and resid 1929 and name H ))
2.700 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.39516E-02 ppm1 5.346 ppm2 8.599 CV 1
ASSI { 138}
(( segid "C " and resid 1928 and name HB2 ))
( segid "C " and resid 1928 and name HD% )
3.100 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.32663E-02 ppm1 3.090 ppm2 7.319 CV 1
ASSI { 139}
(( segid "C " and resid 1928 and name HB3 ))
( segid "C " and resid 1928 and name HD% )
2.600 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.36037E-02 ppm1 3.008 ppm2 7.307 CV 1
ASSI { 140}
(( segid "C " and resid 1928 and name HB2 ))
(( segid "C " and resid 1928 and name H ))
3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 3.091 ppm2 7.026 CV 1
ASSI { 141}
(( segid "C " and resid 1928 and name HB3 ))
(( segid "C " and resid 1928 and name H ))
2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.24908E-02 ppm1 3.004 ppm2 7.029 CV 1
ASSI { 151}
(( segid "C " and resid 1926 and name HB3 ))
(( segid "C " and resid 1926 and name HB2 ))
2.100 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.60890E-02 ppm1 1.353 ppm2 1.856 CV 1
ASSI { 153}
(( segid "C " and resid 1926 and name HB3 ))
(( segid "C " and resid 1926 and name H ))
3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.23845E-02 ppm1 1.355 ppm2 7.979 CV 1
ASSI { 154}
(( segid "C " and resid 1926 and name HB2 ))
(( segid "C " and resid 1926 and name H ))
3.400 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.35393E-02 ppm1 1.862 ppm2 7.979 CV 1
ASSI { 155}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name HB3 ))
2.900 1.000 1.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11805E-01 ppm1 0.949 ppm2 1.344 CV 1
ASSI { 156}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name HG ))
2.200 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.22501E-01 ppm1 0.947 ppm2 1.687 CV 1
ASSI { 157}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name HB2 ))
2.300 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.16196E-01 ppm1 0.947 ppm2 1.859 CV 1
ASSI { 158}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1921 and name HA ))
2.300 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.92002E-02 ppm1 0.946 ppm2 4.243 CV 1
ASSI { 159}
( segid "C " and resid 1926 and name HD1%)
(( segid "B " and resid 58 and name HA ))
4.000 2.000 2.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.51087E-02 ppm1 0.951 ppm2 4.025 CV 1
ASSI { 160}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name HA ))
3.700 1.700 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.53434E-02 ppm1 0.944 ppm2 4.690 CV 1
ASSI { 161}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HA ))
2.900 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14746E-01 ppm1 0.861 ppm2 4.686 CV 1
ASSI { 162}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1921 and name HA ))
3.000 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.35300E-02 ppm1 0.858 ppm2 4.243 CV 1
ASSI { 163}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 57 and name HA ))
4.100 2.100 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.45628E-02 ppm1 0.857 ppm2 4.108 CV 1
OR { 163}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 54 and name HA ))
ASSI { 164}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 58 and name HA ))
2.300 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.97985E-02 ppm1 0.861 ppm2 4.029 CV 1
ASSI { 165}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1927 and name HD3 ))
3.700 1.700 1.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.59095E-02 ppm1 0.862 ppm2 3.699 CV 1
ASSI { 166}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1927 and name HD2 ))
2.900 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.60844E-02 ppm1 0.861 ppm2 3.233 CV 1
ASSI { 167}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1928 and name HB3 ))
4.000 2.000 2.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 0.862 ppm2 3.015 CV 1
OR { 167}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 57 and name HE2 ))
ASSI { 168}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 61 and name HB2 ))
2.900 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 0.863 ppm2 2.861 CV 1
ASSI { 169}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HB3 ))
2.300 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15064E-01 ppm1 0.861 ppm2 1.342 CV 1
ASSI { 170}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 58 and name HB2 ))
3.300 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.71890E-02 ppm1 0.861 ppm2 1.496 CV 1
OR { 170}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 57 and name HG3 ))
ASSI { 171}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HG ))
2.000 0.500 0.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.22796E-01 ppm1 0.860 ppm2 1.686 CV 1
ASSI { 173}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name HB2 ))
2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.13329E-01 ppm1 0.861 ppm2 1.873 CV 1
ASSI { 174}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1921 and name HB3 ))
3.000 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.13301E-01 ppm1 0.861 ppm2 1.920 CV 1
OR { 174}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1920 and name HB2 ))
OR { 174}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 58 and name HB3 ))
OR { 174}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1920 and name HB3 ))
OR { 174}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 57 and name HB3 ))
ASSI { 175}
( segid "C " and resid 1926 and name HD1%)
(( segid "B " and resid 85 and name HE2 ))
3.600 1.600 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.60153E-02 ppm1 0.951 ppm2 2.097 CV 1
OR { 175}
( segid "C " and resid 1926 and name HD1%)
(( segid "B " and resid 85 and name HE1 ))
OR { 175}
( segid "C " and resid 1926 and name HD1%)
(( segid "B " and resid 85 and name HE3 ))
ASSI { 176}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 85 and name HE2 ))
4.800 2.900 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.25930E-02 ppm1 0.863 ppm2 2.094 CV 1
OR { 176}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 85 and name HE1 ))
OR { 176}
( segid "C " and resid 1926 and name HD2%)
(( segid "B " and resid 85 and name HE3 ))
ASSI { 177}
( segid "C " and resid 1926 and name HD1%)
(( segid "B " and resid 61 and name HB2 ))
4.600 2.700 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.33450E-02 ppm1 0.946 ppm2 2.872 CV 1
ASSI { 179}
( segid "C " and resid 1926 and name HD2%)
( segid "C " and resid 1926 and name HD1%)
1.900 0.400 0.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.55229E-01 ppm1 0.860 ppm2 0.945 CV 1
ASSI { 180}
( segid "C " and resid 1926 and name HD2%)
( segid "C " and resid 1928 and name HD% )
4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.39084E-02 ppm1 0.859 ppm2 7.292 CV 1
ASSI { 181}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1928 and name HZ ))
4.100 2.100 1.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.31154E-02 ppm1 0.860 ppm2 7.190 CV 1
ASSI { 183}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1928 and name H ))
4.000 2.000 2.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.31499E-02 ppm1 0.858 ppm2 7.025 CV 1
ASSI { 184}
( segid "C " and resid 1926 and name HD2%)
( segid "B " and resid 78 and name HE% )
4.500 2.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.40989E-02 ppm1 0.862 ppm2 6.892 CV 1
ASSI { 185}
( segid "C " and resid 1926 and name HD2%)
(( segid "C " and resid 1926 and name H ))
3.200 1.300 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.10277E-01 ppm1 0.862 ppm2 7.989 CV 1
ASSI { 186}
( segid "C " and resid 1926 and name HD1%)
(( segid "C " and resid 1926 and name H ))
3.300 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.70187E-02 ppm1 0.949 ppm2 7.990 CV 1
ASSI { 187}
( segid "C " and resid 1926 and name HD1%)
( segid "C " and resid 1928 and name HD% )
2.900 1.100 1.100 peak 187 spectrum 1 weight 0.10000E+01 volume 0.63881E-02 ppm1 0.944 ppm2 7.293 CV 1
ASSI { 188}
(( segid "C " and resid 1925 and name HB2 ))
(( segid "C " and resid 1925 and name H ))
3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.43843E-02 ppm1 2.691 ppm2 8.252 CV 1
ASSI { 189}
(( segid "C " and resid 1925 and name HA ))
(( segid "C " and resid 1925 and name H ))
3.300 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.36939E-02 ppm1 4.583 ppm2 8.250 CV 1
ASSI { 190}
(( segid "C " and resid 1925 and name HA ))
(( segid "C " and resid 1926 and name H ))
2.900 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.72166E-02 ppm1 4.581 ppm2 7.981 CV 1
ASSI { 191}
(( segid "C " and resid 1925 and name HB3 ))
(( segid "C " and resid 1926 and name H ))
4.000 2.000 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.20692E-02 ppm1 2.687 ppm2 7.990 CV 1
ASSI { 193}
(( segid "C " and resid 1925 and name HA ))
(( segid "C " and resid 1925 and name HB2 ))
2.900 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.15980E-01 ppm1 4.583 ppm2 2.690 CV 1
ASSI { 194}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name H ))
3.100 1.200 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.55137E-02 ppm1 4.424 ppm2 7.615 CV 1
ASSI { 195}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1924 and name H ))
3.700 1.700 1.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.21544E-02 ppm1 4.415 ppm2 8.024 CV 1
ASSI { 196}
(( segid "C " and resid 1923 and name HB3 ))
(( segid "C " and resid 1923 and name H ))
3.500 1.500 1.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.25889E-02 ppm1 2.069 ppm2 7.623 CV 1
ASSI { 197}
(( segid "C " and resid 1923 and name HB2 ))
(( segid "C " and resid 1923 and name H ))
2.900 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.40202E-02 ppm1 1.943 ppm2 7.613 CV 1
ASSI { 200}
(( segid "C " and resid 1923 and name HG3 ))
(( segid "C " and resid 1923 and name H ))
4.200 2.200 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 1.834 ppm2 7.614 CV 1
ASSI { 201}
(( segid "C " and resid 1923 and name HG2 ))
(( segid "C " and resid 1923 and name H ))
4.200 2.200 1.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.41712E-02 ppm1 1.788 ppm2 7.613 CV 1
ASSI { 202}
(( segid "C " and resid 1923 and name HG3 ))
(( segid "C " and resid 1923 and name HA ))
3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.69358E-02 ppm1 1.826 ppm2 4.409 CV 1
ASSI { 204}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name HD2 ))
4.200 2.200 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.26109E-02 ppm1 4.419 ppm2 3.325 CV 1
OR { 204}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name HD3 ))
ASSI { 205}
(( segid "C " and resid 1923 and name HB3 ))
(( segid "C " and resid 1923 and name HD2 ))
3.600 1.600 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.24807E-02 ppm1 2.060 ppm2 3.311 CV 1
OR { 205}
(( segid "C " and resid 1923 and name HB3 ))
(( segid "C " and resid 1923 and name HD3 ))
ASSI { 206}
(( segid "C " and resid 1923 and name HB2 ))
(( segid "C " and resid 1923 and name HD2 ))
3.700 1.700 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.28429E-02 ppm1 1.956 ppm2 3.305 CV 1
OR { 206}
(( segid "C " and resid 1923 and name HB2 ))
(( segid "C " and resid 1923 and name HD3 ))
ASSI { 207}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name HG2 ))
3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.58819E-02 ppm1 4.425 ppm2 1.802 CV 1
ASSI { 208}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name HB2 ))
2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.66229E-02 ppm1 4.421 ppm2 1.948 CV 1
ASSI { 209}
(( segid "C " and resid 1923 and name HA ))
(( segid "C " and resid 1923 and name HB3 ))
3.200 1.200 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.81186E-02 ppm1 4.424 ppm2 2.066 CV 1
ASSI { 210}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name H ))
3.000 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 4.390 ppm2 7.663 CV 1
ASSI { 211}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1923 and name H ))
3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.50350E-02 ppm1 4.388 ppm2 7.616 CV 1
ASSI { 212}
(( segid "C " and resid 1922 and name HB2 ))
(( segid "C " and resid 1922 and name H ))
2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.46300E-02 ppm1 2.098 ppm2 7.667 CV 1
ASSI { 213}
(( segid "C " and resid 1922 and name HB3 ))
(( segid "C " and resid 1922 and name H ))
3.800 1.800 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.41385E-02 ppm1 2.007 ppm2 7.669 CV 1
ASSI { 214}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name HD2 ))
3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.35204E-02 ppm1 4.391 ppm2 3.321 CV 1
OR { 214}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name HD3 ))
ASSI { 215}
(( segid "C " and resid 1922 and name HB2 ))
(( segid "C " and resid 1922 and name HD3 ))
3.400 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.41712E-02 ppm1 2.100 ppm2 3.316 CV 1
ASSI { 216}
(( segid "C " and resid 1922 and name HB3 ))
(( segid "C " and resid 1922 and name HD2 ))
3.500 1.500 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.37169E-02 ppm1 2.003 ppm2 3.320 CV 1
ASSI { 217}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name HG2 ))
2.900 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.48003E-02 ppm1 4.389 ppm2 1.823 CV 1
ASSI { 219}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name HB3 ))
2.900 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.64434E-02 ppm1 4.391 ppm2 2.004 CV 1
ASSI { 220}
(( segid "C " and resid 1922 and name HA ))
(( segid "C " and resid 1922 and name HB2 ))
3.000 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.77228E-02 ppm1 4.388 ppm2 2.096 CV 1
ASSI { 223}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HA ))
3.400 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.49752E-02 ppm1 1.899 ppm2 4.390 CV 1
ASSI { 224}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HD2 ))
2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.11566E-01 ppm1 1.897 ppm2 3.321 CV 1
ASSI { 225}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HB2 ))
2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.11027E-01 ppm1 1.899 ppm2 2.094 CV 1
ASSI { 226}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HB3 ))
2.600 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.96651E-02 ppm1 1.899 ppm2 2.005 CV 1
ASSI { 227}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name HG2 ))
1.600 0.300 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.38278E-01 ppm1 1.899 ppm2 1.823 CV 1
ASSI { 229}
(( segid "C " and resid 1922 and name HG3 ))
(( segid "C " and resid 1922 and name H ))
4.100 2.100 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.34693E-02 ppm1 1.903 ppm2 7.671 CV 1
ASSI { 230}
(( segid "C " and resid 1922 and name HG2 ))
(( segid "C " and resid 1922 and name H ))
4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.34306E-02 ppm1 1.825 ppm2 7.670 CV 1
ASSI { 231}
(( segid "C " and resid 1921 and name HA ))
(( segid "C " and resid 1921 and name H ))
3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.23882E-02 ppm1 4.238 ppm2 8.307 CV 1
ASSI { 232}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1921 and name H ))
3.800 1.800 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.45435E-02 ppm1 0.935 ppm2 8.307 CV 1
ASSI { 233}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1921 and name H ))
3.200 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.58313E-02 ppm1 0.899 ppm2 8.304 CV 1
ASSI { 234}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1922 and name H ))
4.300 2.300 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.39268E-02 ppm1 0.900 ppm2 7.684 CV 1
OR { 234}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 78 and name H ))
ASSI { 235}
( segid "C " and resid 1921 and name HD2%)
( segid "C " and resid 1928 and name HD% )
3.900 1.900 1.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.30988E-02 ppm1 0.896 ppm2 7.306 CV 1
ASSI { 236}
( segid "C " and resid 1921 and name HD2%)
( segid "B " and resid 78 and name HD% )
3.400 1.400 1.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.43166E-02 ppm1 0.896 ppm2 7.018 CV 1
ASSI { 237}
( segid "C " and resid 1921 and name HD2%)
( segid "B " and resid 78 and name HE% )
3.900 1.900 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.52928E-02 ppm1 0.900 ppm2 6.892 CV 1
ASSI { 238}
( segid "C " and resid 1921 and name HD1%)
( segid "B " and resid 78 and name HD% )
3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.49384E-02 ppm1 0.923 ppm2 7.011 CV 1
ASSI { 239}
(( segid "C " and resid 1921 and name HA ))
( segid "C " and resid 1921 and name HD2%)
2.600 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.79576E-02 ppm1 4.238 ppm2 0.918 CV 1
OR { 239}
(( segid "C " and resid 1921 and name HA ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 240}
(( segid "C " and resid 1921 and name HA ))
(( segid "C " and resid 1921 and name HB3 ))
2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.33667E-02 ppm1 4.244 ppm2 1.934 CV 1
OR { 240}
(( segid "C " and resid 1921 and name HA ))
(( segid "C " and resid 1920 and name HB2 ))
ASSI { 241}
( segid "C " and resid 1921 and name HD1%)
(( segid "B " and resid 81 and name HB3 ))
2.500 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.62685E-02 ppm1 0.929 ppm2 2.571 CV 1
OR { 241}
( segid "C " and resid 1921 and name HD1%)
(( segid "B " and resid 81 and name HG ))
ASSI { 242}
( segid "C " and resid 1921 and name HD1%)
(( segid "B " and resid 85 and name HE2 ))
3.000 1.100 1.100 peak 242 spectrum 1 weight 0.10000E+01 volume 0.74191E-02 ppm1 0.924 ppm2 2.088 CV 1
OR { 242}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1918 and name HB2 ))
OR { 242}
( segid "C " and resid 1921 and name HD1%)
(( segid "B " and resid 85 and name HE1 ))
OR { 242}
( segid "C " and resid 1921 and name HD1%)
(( segid "B " and resid 85 and name HE3 ))
ASSI { 244}
( segid "C " and resid 1921 and name HD2%)
( segid "C " and resid 1917 and name HD1%)
3.600 1.700 1.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.47681E-02 ppm1 0.901 ppm2 1.185 CV 1
ASSI { 245}
( segid "C " and resid 1921 and name HD2%)
( segid "C " and resid 1917 and name HD2%)
2.600 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12081E-01 ppm1 0.899 ppm2 1.008 CV 1
ASSI { 246}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1926 and name HG ))
3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.11050E-01 ppm1 0.898 ppm2 1.692 CV 1
ASSI { 247}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1926 and name HB2 ))
3.600 1.600 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.61212E-02 ppm1 0.898 ppm2 1.846 CV 1
OR { 247}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1920 and name HG3 ))
ASSI { 248}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1921 and name HB2 ))
2.900 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.17650E-01 ppm1 0.898 ppm2 1.976 CV 1
ASSI { 249}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1921 and name HB3 ))
2.500 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.11340E-01 ppm1 0.898 ppm2 1.926 CV 1
OR { 249}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1920 and name HB2 ))
OR { 249}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1920 and name HB3 ))
ASSI { 250}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 85 and name HE2 ))
3.900 1.900 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.58128E-02 ppm1 0.901 ppm2 2.095 CV 1
OR { 250}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 85 and name HE1 ))
OR { 250}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 85 and name HE3 ))
ASSI { 251}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 61 and name HB3 ))
3.000 1.200 1.200 peak 251 spectrum 1 weight 0.10000E+01 volume 0.40087E-02 ppm1 0.900 ppm2 2.337 CV 1
ASSI { 252}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 82 and name HG12))
3.500 1.500 1.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.53020E-02 ppm1 0.895 ppm2 0.562 CV 1
OR { 252}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD13))
OR { 252}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD12))
OR { 252}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD11))
ASSI { 253}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD23))
3.000 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.38205E-02 ppm1 0.898 ppm2 0.421 CV 1
OR { 253}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD21))
OR { 253}
( segid "C " and resid 1921 and name HD2%)
(( segid "B " and resid 62 and name HD22))
ASSI { 254}
( segid "C " and resid 1921 and name HD2%)
(( segid "C " and resid 1921 and name HA ))
2.100 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20292E-01 ppm1 0.898 ppm2 4.244 CV 1
ASSI { 255}
( segid "C " and resid 1921 and name HD1%)
(( segid "C " and resid 1921 and name HB2 ))
2.300 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13071E-01 ppm1 0.928 ppm2 1.957 CV 1
ASSI { 256}
( segid "C " and resid 1921 and name HD1%)
( segid "C " and resid 1917 and name HD2%)
2.400 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.16960E-01 ppm1 0.924 ppm2 1.000 CV 1
ASSI { 257}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1920 and name H ))
3.200 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.30233E-02 ppm1 4.128 ppm2 7.829 CV 1
ASSI { 259}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1920 and name HB2 ))
3.300 1.400 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.44491E-02 ppm1 4.135 ppm2 1.929 CV 1
ASSI { 260}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1920 and name HG3 ))
3.900 1.900 1.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.50304E-02 ppm1 4.130 ppm2 1.826 CV 1
ASSI { 261}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1920 and name HG2 ))
3.400 1.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 4.140 ppm2 1.533 CV 1
ASSI { 262}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1923 and name HB3 ))
3.500 1.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.32221E-02 ppm1 4.136 ppm2 2.081 CV 1
OR { 262}
(( segid "C " and resid 1920 and name HA ))
(( segid "C " and resid 1922 and name HB2 ))
ASSI { 263}
(( segid "C " and resid 1919 and name HA ))
(( segid "C " and resid 1919 and name H ))
3.300 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.28829E-02 ppm1 4.588 ppm2 7.470 CV 1
ASSI { 264}
(( segid "C " and resid 1919 and name HB3 ))
(( segid "C " and resid 1919 and name H ))
3.100 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.55275E-02 ppm1 2.996 ppm2 7.475 CV 1
ASSI { 265}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1919 and name H ))
2.600 0.900 0.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.62501E-02 ppm1 2.944 ppm2 7.474 CV 1
ASSI { 266}
(( segid "C " and resid 1919 and name HB3 ))
(( segid "C " and resid 1919 and name HD21))
3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.27173E-02 ppm1 2.994 ppm2 7.656 CV 1
ASSI { 267}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1919 and name HD21))
3.400 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 2.946 ppm2 7.659 CV 1
ASSI { 268}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1920 and name H ))
3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.36695E-02 ppm1 2.938 ppm2 7.833 CV 1
ASSI { 269}
(( segid "C " and resid 1919 and name HB3 ))
(( segid "C " and resid 1920 and name H ))
3.100 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.27067E-02 ppm1 3.004 ppm2 7.828 CV 1
ASSI { 270}
(( segid "C " and resid 1919 and name HB3 ))
(( segid "C " and resid 1919 and name HA ))
3.400 1.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.38126E-02 ppm1 2.995 ppm2 4.592 CV 1
ASSI { 271}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1919 and name HA ))
2.900 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.47129E-02 ppm1 2.948 ppm2 4.594 CV 1
ASSI { 272}
(( segid "C " and resid 1919 and name HB3 ))
(( segid "C " and resid 1919 and name HD22))
4.800 2.900 1.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 3.004 ppm2 7.043 CV 1
ASSI { 273}
(( segid "C " and resid 1919 and name HB2 ))
(( segid "C " and resid 1919 and name HD22))
4.600 2.700 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.19882E-02 ppm1 2.952 ppm2 7.040 CV 1
ASSI { 275}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1918 and name H ))
2.800 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.30970E-02 ppm1 3.904 ppm2 8.896 CV 1
ASSI { 276}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name H ))
2.300 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.47681E-02 ppm1 2.075 ppm2 8.910 CV 1
OR { 276}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name H ))
ASSI { 277}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name H ))
4.200 2.200 1.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.27311E-02 ppm1 1.534 ppm2 8.899 CV 1
OR { 277}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name H ))
ASSI { 279}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1919 and name H ))
4.000 2.000 2.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.23850E-02 ppm1 2.070 ppm2 7.466 CV 1
ASSI { 280}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1918 and name HG3 ))
3.000 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.47957E-02 ppm1 3.919 ppm2 1.534 CV 1
OR { 280}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1918 and name HG2 ))
ASSI { 281}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1918 and name HB2 ))
2.200 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.75433E-02 ppm1 3.909 ppm2 2.071 CV 1
OR { 281}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1918 and name HB3 ))
ASSI { 282}
(( segid "C " and resid 1918 and name HA ))
(( segid "C " and resid 1921 and name HB2 ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.32364E-02 ppm1 3.916 ppm2 1.954 CV 1
ASSI { 284}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "B " and resid 84 and name HA ))
4.700 2.800 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.25184E-02 ppm1 2.067 ppm2 4.070 CV 1
ASSI { 286}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1917 and name HA ))
3.700 1.700 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.77228E-02 ppm1 2.069 ppm2 4.285 CV 1
OR { 286}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1917 and name HA ))
OR { 286}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "B " and resid 80 and name HB2 ))
OR { 286}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "B " and resid 80 and name HB2 ))
ASSI { 287}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1915 and name HA ))
4.400 2.400 1.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.30772E-02 ppm1 1.535 ppm2 4.111 CV 1
OR { 287}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1915 and name HA ))
ASSI { 289}
(( segid "C " and resid 1918 and name HD3 ))
(( segid "C " and resid 1918 and name HA ))
3.900 1.900 1.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.24641E-02 ppm1 1.774 ppm2 3.920 CV 1
ASSI { 291}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name HG3 ))
2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.73823E-02 ppm1 2.076 ppm2 1.539 CV 1
OR { 291}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name HG2 ))
OR { 291}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name HG3 ))
OR { 291}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name HG2 ))
ASSI { 293}
(( segid "C " and resid 1918 and name HA ))
( segid "C " and resid 1921 and name HD1%)
2.900 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.25760E-02 ppm1 3.919 ppm2 0.919 CV 1
ASSI { 294}
(( segid "C " and resid 1918 and name HB3 ))
( segid "C " and resid 1914 and name HG2%)
4.000 2.000 2.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21834E-02 ppm1 2.066 ppm2 0.991 CV 1
OR { 294}
(( segid "C " and resid 1918 and name HB2 ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 295}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HD3 ))
2.600 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.92508E-02 ppm1 1.539 ppm2 1.778 CV 1
OR { 295}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HD3 ))
ASSI { 296}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HD2 ))
2.200 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11547E-01 ppm1 1.538 ppm2 1.666 CV 1
OR { 296}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HD2 ))
ASSI { 297}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HB2 ))
2.200 0.600 0.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10365E-01 ppm1 1.534 ppm2 2.073 CV 1
OR { 297}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HB2 ))
OR { 297}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HB3 ))
OR { 297}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HB3 ))
ASSI { 298}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "B " and resid 84 and name HE2 ))
3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.51639E-02 ppm1 1.535 ppm2 2.140 CV 1
OR { 298}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "B " and resid 84 and name HE2 ))
OR { 298}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "B " and resid 84 and name HE1 ))
OR { 298}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "B " and resid 84 and name HE3 ))
OR { 298}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "B " and resid 84 and name HE1 ))
ASSI { 299}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HE3 ))
2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.86479E-02 ppm1 1.533 ppm2 3.043 CV 1
OR { 299}
(( segid "C " and resid 1918 and name HG2 ))
(( segid "C " and resid 1918 and name HE2 ))
OR { 299}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HE3 ))
OR { 299}
(( segid "C " and resid 1918 and name HG3 ))
(( segid "C " and resid 1918 and name HE2 ))
ASSI { 300}
(( segid "C " and resid 1918 and name HD3 ))
(( segid "C " and resid 1918 and name HE2 ))
2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.63375E-02 ppm1 1.789 ppm2 3.043 CV 1
OR { 300}
(( segid "C " and resid 1918 and name HD3 ))
(( segid "C " and resid 1918 and name HE3 ))
ASSI { 301}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HE2 ))
2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.83810E-02 ppm1 1.681 ppm2 3.041 CV 1
OR { 301}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HE3 ))
ASSI { 303}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HG2 ))
2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.14695E-01 ppm1 1.672 ppm2 1.534 CV 1
ASSI { 304}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HD3 ))
1.500 0.300 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.24250E-01 ppm1 1.671 ppm2 1.775 CV 1
ASSI { 305}
(( segid "C " and resid 1918 and name HD3 ))
(( segid "C " and resid 1918 and name HB3 ))
2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.31232E-02 ppm1 1.786 ppm2 2.065 CV 1
OR { 305}
(( segid "C " and resid 1918 and name HD3 ))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 306}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HB3 ))
3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 1.668 ppm2 2.077 CV 1
OR { 306}
(( segid "C " and resid 1918 and name HD2 ))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 307}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name HE3 ))
4.400 2.400 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.26073E-02 ppm1 2.070 ppm2 3.048 CV 1
OR { 307}
(( segid "C " and resid 1918 and name HB3 ))
(( segid "C " and resid 1918 and name HE2 ))
OR { 307}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name HE3 ))
OR { 307}
(( segid "C " and resid 1918 and name HB2 ))
(( segid "C " and resid 1918 and name HE2 ))
ASSI { 308}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name H ))
4.000 2.000 2.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.45288E-02 ppm1 1.018 ppm2 8.143 CV 1
ASSI { 309}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1920 and name H ))
4.000 2.000 2.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.37915E-02 ppm1 1.014 ppm2 7.825 CV 1
OR { 309}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1916 and name H ))
ASSI { 310}
( segid "C " and resid 1917 and name HD1%)
( segid "B " and resid 78 and name HD% )
4.000 2.000 2.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.56794E-02 ppm1 1.184 ppm2 7.016 CV 1
ASSI { 311}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HA ))
2.400 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.20062E-01 ppm1 1.016 ppm2 4.268 CV 1
OR { 311}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name HA ))
ASSI { 312}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 78 and name HA ))
2.900 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.74329E-02 ppm1 1.183 ppm2 4.335 CV 1
ASSI { 313}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HA ))
3.600 1.600 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.49890E-02 ppm1 1.183 ppm2 4.274 CV 1
ASSI { 314}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 78 and name HA ))
2.900 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.37657E-02 ppm1 1.019 ppm2 4.331 CV 1
ASSI { 315}
( segid "C " and resid 1917 and name HD1%)
( segid "C " and resid 1917 and name HD2%)
2.300 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.21930E-01 ppm1 1.183 ppm2 1.016 CV 1
ASSI { 316}
( segid "C " and resid 1917 and name HD1%)
( segid "C " and resid 1921 and name HD1%)
3.400 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.78241E-02 ppm1 1.182 ppm2 0.920 CV 1
ASSI { 318}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD12))
2.900 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.55827E-02 ppm1 1.187 ppm2 0.561 CV 1
OR { 318}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD11))
OR { 318}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD13))
ASSI { 320}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD23))
4.500 2.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.20034E-02 ppm1 1.180 ppm2 0.422 CV 1
OR { 320}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD21))
OR { 320}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 62 and name HD22))
ASSI { 321}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HB3 ))
2.900 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.51961E-02 ppm1 1.181 ppm2 1.978 CV 1
ASSI { 322}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1920 and name HG3 ))
3.400 1.400 1.400 peak 322 spectrum 1 weight 0.10000E+01 volume 0.66137E-02 ppm1 1.185 ppm2 1.826 CV 1
ASSI { 323}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1917 and name HB2 ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.47037E-02 ppm1 1.184 ppm2 1.642 CV 1
ASSI { 324}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 81 and name HG ))
3.800 1.900 1.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.33832E-02 ppm1 1.186 ppm2 2.569 CV 1
OR { 324}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 81 and name HB3 ))
OR { 324}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 325}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1913 and name HB2 ))
3.900 1.900 1.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.22975E-02 ppm1 1.183 ppm2 2.317 CV 1
OR { 325}
( segid "C " and resid 1917 and name HD1%)
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 327}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 78 and name HB3 ))
3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.23910E-02 ppm1 1.186 ppm2 3.232 CV 1
ASSI { 328}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 78 and name HB2 ))
3.700 1.800 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.20375E-02 ppm1 1.185 ppm2 3.416 CV 1
OR { 328}
( segid "C " and resid 1917 and name HD1%)
(( segid "B " and resid 77 and name HA ))
ASSI { 329}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 61 and name HB2 ))
3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.46806E-02 ppm1 1.017 ppm2 2.876 CV 1
ASSI { 330}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1918 and name HE3 ))
4.600 2.600 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32525E-02 ppm1 1.017 ppm2 3.042 CV 1
OR { 330}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1918 and name HE2 ))
ASSI { 331}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 61 and name HB3 ))
3.300 1.400 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.69128E-02 ppm1 1.017 ppm2 2.329 CV 1
OR { 331}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1913 and name HB2 ))
OR { 331}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 332}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1918 and name HB2 ))
3.800 1.800 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.59647E-02 ppm1 1.019 ppm2 2.067 CV 1
OR { 332}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1918 and name HB3 ))
ASSI { 333}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name HB3 ))
2.300 0.700 0.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.12795E-01 ppm1 1.016 ppm2 1.971 CV 1
ASSI { 334}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1920 and name HG3 ))
2.300 0.600 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17015E-01 ppm1 1.016 ppm2 1.829 CV 1
ASSI { 335}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HB2 ))
3.700 1.700 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.92002E-02 ppm1 1.017 ppm2 1.667 CV 1
ASSI { 337}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD12))
2.600 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10926E-01 ppm1 1.015 ppm2 0.562 CV 1
OR { 337}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD13))
OR { 337}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD11))
ASSI { 338}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD23))
3.400 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 1.016 ppm2 0.420 CV 1
OR { 338}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD21))
OR { 338}
( segid "C " and resid 1917 and name HD2%)
(( segid "B " and resid 62 and name HD22))
ASSI { 339}
(( segid "C " and resid 1917 and name HA ))
( segid "C " and resid 1917 and name HD2%)
3.100 1.200 1.200 peak 339 spectrum 1 weight 0.10000E+01 volume 0.55505E-02 ppm1 4.267 ppm2 1.009 CV 1
ASSI { 340}
( segid "C " and resid 1917 and name HD2%)
(( segid "C " and resid 1917 and name HB2 ))
3.200 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.73362E-02 ppm1 1.016 ppm2 1.642 CV 1
ASSI { 341}
(( segid "C " and resid 1916 and name HA ))
(( segid "C " and resid 1916 and name H ))
3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.41417E-02 ppm1 4.379 ppm2 7.831 CV 1
ASSI { 342}
(( segid "C " and resid 1916 and name HB3 ))
(( segid "C " and resid 1916 and name H ))
2.900 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.79023E-02 ppm1 4.041 ppm2 7.835 CV 1
ASSI { 343}
(( segid "C " and resid 1916 and name HB2 ))
(( segid "C " and resid 1916 and name H ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.99688E-02 ppm1 4.094 ppm2 7.835 CV 1
ASSI { 344}
(( segid "C " and resid 1916 and name HB2 ))
(( segid "C " and resid 1917 and name H ))
3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.36184E-02 ppm1 4.092 ppm2 8.149 CV 1
ASSI { 345}
(( segid "C " and resid 1916 and name HB3 ))
(( segid "C " and resid 1917 and name H ))
3.200 1.200 1.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.38508E-02 ppm1 4.038 ppm2 8.149 CV 1
ASSI { 347}
(( segid "C " and resid 1915 and name HB3 ))
(( segid "C " and resid 1915 and name H ))
3.400 1.500 1.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.20191E-02 ppm1 4.032 ppm2 8.454 CV 1
OR { 347}
(( segid "C " and resid 1915 and name HB2 ))
(( segid "C " and resid 1915 and name H ))
ASSI { 348}
(( segid "C " and resid 1916 and name HB2 ))
(( segid "C " and resid 1916 and name HA ))
2.900 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.75295E-02 ppm1 4.093 ppm2 4.382 CV 1
ASSI { 349}
(( segid "C " and resid 1916 and name HB3 ))
(( segid "C " and resid 1916 and name HA ))
3.300 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.61442E-02 ppm1 4.044 ppm2 4.383 CV 1
ASSI { 350}
(( segid "C " and resid 1916 and name HB2 ))
(( segid "C " and resid 1913 and name HA ))
3.500 1.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.44952E-02 ppm1 4.094 ppm2 4.240 CV 1
ASSI { 351}
(( segid "C " and resid 1916 and name HB3 ))
(( segid "C " and resid 1913 and name HA ))
3.100 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.43042E-02 ppm1 4.043 ppm2 4.242 CV 1
ASSI { 352}
(( segid "C " and resid 1916 and name HA ))
(( segid "C " and resid 1919 and name HB2 ))
3.400 1.500 1.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.25230E-02 ppm1 4.387 ppm2 2.957 CV 1
ASSI { 356}
(( segid "C " and resid 1915 and name HA ))
(( segid "C " and resid 1915 and name H ))
3.200 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.24747E-02 ppm1 4.093 ppm2 8.448 CV 1
ASSI { 357}
(( segid "C " and resid 1914 and name HA ))
( segid "C " and resid 1917 and name HD2%)
3.600 1.600 1.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.67379E-02 ppm1 3.595 ppm2 1.014 CV 1
ASSI { 359}
(( segid "C " and resid 1914 and name HA ))
(( segid "C " and resid 1914 and name H ))
3.200 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 3.594 ppm2 8.839 CV 1
ASSI { 360}
(( segid "C " and resid 1914 and name HB ))
(( segid "C " and resid 1914 and name H ))
2.800 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19169E-02 ppm1 2.150 ppm2 8.820 CV 1
ASSI { 361}
(( segid "C " and resid 1914 and name HB ))
( segid "C " and resid 1914 and name HG1%)
2.600 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.33938E-02 ppm1 2.166 ppm2 1.163 CV 1
ASSI { 362}
(( segid "C " and resid 1914 and name HB ))
( segid "C " and resid 1914 and name HG2%)
2.600 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.31821E-02 ppm1 2.164 ppm2 0.985 CV 1
ASSI { 363}
( segid "C " and resid 1914 and name HG1%)
( segid "C " and resid 1914 and name HG2%)
1.900 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.34527E-01 ppm1 1.165 ppm2 0.979 CV 1
ASSI { 364}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 77 and name HG21))
3.500 1.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.12150E-01 ppm1 1.165 ppm2 1.036 CV 1
OR { 364}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 77 and name HG23))
OR { 364}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 77 and name HG22))
ASSI { 366}
( segid "C " and resid 1914 and name HG1%)
( segid "C " and resid 1910 and name HE% )
4.800 2.800 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.51271E-02 ppm1 1.168 ppm2 2.001 CV 1
ASSI { 367}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name HB ))
2.100 0.500 0.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12620E-01 ppm1 1.165 ppm2 2.158 CV 1
OR { 367}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 84 and name HE3 ))
OR { 367}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 84 and name HE1 ))
OR { 367}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 84 and name HE2 ))
ASSI { 368}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 77 and name HB ))
4.600 2.600 1.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.59187E-02 ppm1 1.164 ppm2 2.310 CV 1
OR { 368}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1913 and name HB2 ))
OR { 368}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 369}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 81 and name HG ))
3.900 1.900 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.69957E-02 ppm1 1.165 ppm2 2.557 CV 1
OR { 369}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1913 and name HG3 ))
OR { 369}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 81 and name HB3 ))
OR { 369}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1910 and name HB3 ))
OR { 369}
( segid "C " and resid 1914 and name HG1%)
(( segid "A " and resid 76 and name HB3 ))
ASSI { 370}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name HA ))
2.900 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.92232E-02 ppm1 1.164 ppm2 3.593 CV 1
ASSI { 371}
( segid "C " and resid 1914 and name HG1%)
(( segid "A " and resid 77 and name HA ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.15004E-01 ppm1 1.165 ppm2 3.429 CV 1
OR { 371}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 80 and name HB3 ))
OR { 371}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 77 and name HA ))
ASSI { 372}
( segid "C " and resid 1914 and name HG1%)
(( segid "A " and resid 75 and name HB2 ))
4.400 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 1.163 ppm2 3.280 CV 1
OR { 372}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 79 and name HA ))
OR { 372}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1912 and name HD2 ))
ASSI { 373}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HB2 ))
4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 1.162 ppm2 3.160 CV 1
ASSI { 374}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1914 and name HB ))
1.800 0.400 0.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.31821E-01 ppm1 0.982 ppm2 2.149 CV 1
OR { 374}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 84 and name HE3 ))
OR { 374}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 84 and name HE1 ))
OR { 374}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 84 and name HE2 ))
ASSI { 375}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1913 and name HB2 ))
4.800 2.900 1.200 peak 375 spectrum 1 weight 0.10000E+01 volume 0.48878E-02 ppm1 0.985 ppm2 2.319 CV 1
OR { 375}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 376}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 84 and name HB3 ))
4.000 2.000 2.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.95914E-02 ppm1 0.979 ppm2 2.374 CV 1
OR { 376}
( segid "C " and resid 1914 and name HG2%)
(( segid "A " and resid 77 and name HB ))
ASSI { 377}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 81 and name HG ))
2.800 1.000 1.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.80404E-02 ppm1 0.980 ppm2 2.566 CV 1
OR { 377}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1913 and name HG3 ))
OR { 377}
( segid "C " and resid 1914 and name HG2%)
(( segid "A " and resid 76 and name HB3 ))
OR { 377}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 81 and name HB3 ))
ASSI { 378}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 85 and name HB2 ))
4.100 2.100 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.72442E-02 ppm1 0.983 ppm2 2.471 CV 1
ASSI { 379}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1911 and name HB2 ))
4.600 2.600 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.42103E-02 ppm1 0.987 ppm2 3.159 CV 1
ASSI { 380}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 80 and name HB3 ))
2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.57300E-02 ppm1 0.982 ppm2 3.427 CV 1
OR { 380}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 77 and name HA ))
OR { 380}
( segid "C " and resid 1914 and name HG2%)
(( segid "A " and resid 77 and name HA ))
ASSI { 381}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1914 and name HA ))
2.300 0.700 0.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.77366E-02 ppm1 0.982 ppm2 3.595 CV 1
ASSI { 382}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1915 and name HA ))
3.300 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.31029E-02 ppm1 1.165 ppm2 4.096 CV 1
ASSI { 383}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1918 and name HA ))
5.500 3.800 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24176E-02 ppm1 1.169 ppm2 3.911 CV 1
ASSI { 384}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HA ))
2.100 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.65768E-02 ppm1 1.167 ppm2 4.247 CV 1
ASSI { 385}
( segid "C " and resid 1914 and name HG1%)
(( segid "A " and resid 74 and name HA ))
4.100 2.100 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.55551E-02 ppm1 1.165 ppm2 4.303 CV 1
OR { 385}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 80 and name HB2 ))
ASSI { 386}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 80 and name HA ))
3.800 1.800 1.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.30270E-02 ppm1 0.987 ppm2 3.889 CV 1
ASSI { 387}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1915 and name HA ))
4.200 2.200 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.42172E-02 ppm1 0.987 ppm2 4.092 CV 1
OR { 387}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 84 and name HA ))
ASSI { 388}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1911 and name HA ))
3.900 1.900 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.52191E-02 ppm1 0.981 ppm2 4.251 CV 1
OR { 388}
( segid "C " and resid 1914 and name HG2%)
(( segid "A " and resid 80 and name HB2 ))
OR { 388}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1910 and name HA ))
ASSI { 389}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 81 and name HA ))
2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.46015E-02 ppm1 0.981 ppm2 4.348 CV 1
ASSI { 391}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1912 and name H ))
3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.38320E-02 ppm1 1.163 ppm2 7.612 CV 1
OR { 391}
( segid "C " and resid 1914 and name HG1%)
(( segid "B " and resid 81 and name H ))
ASSI { 392}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1911 and name HD21))
3.500 1.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27868E-02 ppm1 1.161 ppm2 7.804 CV 1
ASSI { 393}
( segid "C " and resid 1914 and name HG2%)
(( segid "B " and resid 81 and name H ))
3.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.46010E-02 ppm1 0.983 ppm2 7.608 CV 1
ASSI { 394}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1915 and name H ))
2.400 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.45854E-02 ppm1 1.165 ppm2 8.432 CV 1
ASSI { 395}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1915 and name H ))
4.000 2.000 2.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.48187E-02 ppm1 0.982 ppm2 8.445 CV 1
ASSI { 396}
( segid "C " and resid 1914 and name HG1%)
(( segid "C " and resid 1914 and name H ))
2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.98814E-02 ppm1 1.165 ppm2 8.819 CV 1
ASSI { 397}
( segid "C " and resid 1914 and name HG2%)
(( segid "C " and resid 1914 and name H ))
3.700 1.700 1.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.65676E-02 ppm1 0.985 ppm2 8.820 CV 1
ASSI { 401}
(( segid "C " and resid 1913 and name HA ))
(( segid "C " and resid 1913 and name HB3 ))
3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 4.242 ppm2 2.315 CV 1
OR { 401}
(( segid "C " and resid 1913 and name HA ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 403}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "C " and resid 1913 and name HA ))
3.400 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.80956E-02 ppm1 2.556 ppm2 4.248 CV 1
ASSI { 404}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "C " and resid 1913 and name HA ))
3.600 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.66459E-02 ppm1 2.494 ppm2 4.246 CV 1
ASSI { 405}
(( segid "C " and resid 1913 and name HG3 ))
( segid "C " and resid 1914 and name HG1%)
4.100 2.100 1.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 2.561 ppm2 1.172 CV 1
OR { 405}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "B " and resid 77 and name HG11))
OR { 405}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "B " and resid 77 and name HG12))
OR { 405}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "B " and resid 77 and name HG13))
ASSI { 406}
(( segid "C " and resid 1913 and name HG2 ))
( segid "C " and resid 1914 and name HG1%)
4.800 2.900 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.34596E-02 ppm1 2.494 ppm2 1.166 CV 1
OR { 406}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "B " and resid 77 and name HG11))
OR { 406}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "B " and resid 77 and name HG12))
OR { 406}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "B " and resid 77 and name HG13))
ASSI { 407}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "C " and resid 1913 and name HB3 ))
2.500 0.800 0.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.97893E-02 ppm1 2.497 ppm2 2.313 CV 1
OR { 407}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "C " and resid 1913 and name HB2 ))
ASSI { 408}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "C " and resid 1913 and name HB2 ))
2.500 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.10061E-01 ppm1 2.557 ppm2 2.305 CV 1
OR { 408}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "C " and resid 1913 and name HB3 ))
ASSI { 409}
(( segid "C " and resid 1913 and name HG3 ))
(( segid "C " and resid 1913 and name H ))
3.000 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.64204E-02 ppm1 2.559 ppm2 7.801 CV 1
ASSI { 410}
(( segid "C " and resid 1913 and name HG2 ))
(( segid "C " and resid 1913 and name H ))
2.200 0.600 0.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.48003E-02 ppm1 2.500 ppm2 7.800 CV 1
ASSI { 411}
(( segid "C " and resid 1913 and name HA ))
(( segid "C " and resid 1913 and name H ))
3.200 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.31964E-02 ppm1 4.244 ppm2 7.815 CV 1
ASSI { 412}
(( segid "C " and resid 1913 and name HB3 ))
(( segid "C " and resid 1913 and name H ))
3.800 1.800 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.19629E-02 ppm1 2.318 ppm2 7.803 CV 1
OR { 412}
(( segid "C " and resid 1913 and name HB2 ))
(( segid "C " and resid 1913 and name H ))
ASSI { 414}
(( segid "C " and resid 1912 and name HA ))
(( segid "C " and resid 1912 and name H ))
3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.44146E-02 ppm1 4.159 ppm2 7.610 CV 1
ASSI { 415}
(( segid "C " and resid 1912 and name HA ))
(( segid "C " and resid 1913 and name H ))
3.800 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.18700E-02 ppm1 4.157 ppm2 7.826 CV 1
ASSI { 416}
(( segid "C " and resid 1912 and name HB3 ))
(( segid "C " and resid 1912 and name H ))
4.000 2.000 2.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.39097E-02 ppm1 2.066 ppm2 7.605 CV 1
ASSI { 417}
(( segid "C " and resid 1912 and name HB3 ))
(( segid "C " and resid 1913 and name H ))
4.100 2.100 1.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.19652E-02 ppm1 2.059 ppm2 7.812 CV 1
ASSI { 418}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name H ))
2.900 1.100 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.34458E-02 ppm1 1.696 ppm2 7.610 CV 1
ASSI { 419}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name H ))
3.900 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.47865E-02 ppm1 1.946 ppm2 7.609 CV 1
ASSI { 420}
(( segid "C " and resid 1912 and name HD3 ))
(( segid "C " and resid 1912 and name H ))
3.300 1.400 1.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.30362E-02 ppm1 3.388 ppm2 7.612 CV 1
ASSI { 421}
(( segid "C " and resid 1912 and name HD2 ))
(( segid "C " and resid 1912 and name H ))
3.200 1.300 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 3.271 ppm2 7.607 CV 1
ASSI { 423}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name HA ))
3.600 1.600 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.52053E-02 ppm1 1.698 ppm2 4.146 CV 1
ASSI { 424}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HA ))
3.800 1.800 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.41366E-02 ppm1 1.950 ppm2 4.155 CV 1
ASSI { 425}
(( segid "C " and resid 1912 and name HA ))
(( segid "C " and resid 1912 and name HB2 ))
3.400 1.400 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.51409E-02 ppm1 4.160 ppm2 2.144 CV 1
ASSI { 426}
(( segid "C " and resid 1912 and name HA ))
(( segid "C " and resid 1912 and name HB3 ))
2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.48233E-02 ppm1 4.151 ppm2 2.058 CV 1
ASSI { 430}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name HD2 ))
2.900 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.58635E-02 ppm1 1.692 ppm2 3.269 CV 1
ASSI { 432}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HD2 ))
3.000 1.100 1.100 peak 432 spectrum 1 weight 0.10000E+01 volume 0.51133E-02 ppm1 1.945 ppm2 3.275 CV 1
ASSI { 433}
(( segid "C " and resid 1912 and name HD3 ))
(( segid "C " and resid 1912 and name HB2 ))
3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 3.381 ppm2 2.139 CV 1
ASSI { 434}
(( segid "C " and resid 1912 and name HD3 ))
(( segid "C " and resid 1912 and name HB3 ))
3.700 1.700 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.53664E-02 ppm1 3.385 ppm2 2.068 CV 1
ASSI { 435}
(( segid "C " and resid 1912 and name HD3 ))
(( segid "C " and resid 1912 and name HG3 ))
2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.11718E-01 ppm1 3.385 ppm2 1.950 CV 1
ASSI { 436}
(( segid "C " and resid 1912 and name HD3 ))
(( segid "C " and resid 1912 and name HG2 ))
2.400 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.13503E-01 ppm1 3.384 ppm2 1.693 CV 1
ASSI { 437}
(( segid "C " and resid 1912 and name HB2 ))
(( segid "C " and resid 1912 and name H ))
3.100 1.200 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.27145E-02 ppm1 2.144 ppm2 7.601 CV 1
ASSI { 438}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name HB3 ))
3.300 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.59049E-02 ppm1 1.698 ppm2 2.070 CV 1
ASSI { 439}
(( segid "C " and resid 1912 and name HG2 ))
(( segid "C " and resid 1912 and name HB2 ))
2.900 1.100 1.100 peak 439 spectrum 1 weight 0.10000E+01 volume 0.35590E-02 ppm1 1.695 ppm2 2.141 CV 1
ASSI { 440}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HG2 ))
1.800 0.400 0.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16951E-01 ppm1 1.951 ppm2 1.696 CV 1
ASSI { 441}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HB2 ))
3.100 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.51179E-02 ppm1 1.949 ppm2 2.140 CV 1
ASSI { 442}
(( segid "C " and resid 1912 and name HG3 ))
(( segid "C " and resid 1912 and name HB3 ))
2.600 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.71659E-02 ppm1 1.954 ppm2 2.068 CV 1
ASSI { 446}
(( segid "C " and resid 1911 and name HA ))
(( segid "C " and resid 1911 and name HD21))
2.900 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.36644E-02 ppm1 4.253 ppm2 7.805 CV 1
ASSI { 448}
(( segid "C " and resid 1911 and name HA ))
(( segid "C " and resid 1912 and name H ))
3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.27509E-02 ppm1 4.254 ppm2 7.596 CV 1
ASSI { 449}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1911 and name HB3 ))
2.000 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.72580E-02 ppm1 3.149 ppm2 2.692 CV 1
ASSI { 451}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1911 and name HA ))
2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.30422E-02 ppm1 3.145 ppm2 4.238 CV 1
ASSI { 452}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1911 and name HA ))
3.200 1.300 1.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.28517E-02 ppm1 2.690 ppm2 4.259 CV 1
ASSI { 454}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1908 and name HA ))
3.400 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.21571E-02 ppm1 3.149 ppm2 4.462 CV 1
ASSI { 455}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
3.500 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 2.695 ppm2 4.451 CV 1
ASSI { 456}
(( segid "C " and resid 1911 and name HB3 ))
( segid "C " and resid 1914 and name HG2%)
5.500 3.800 0.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 2.704 ppm2 0.972 CV 1
ASSI { 457}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1912 and name H ))
4.100 2.100 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.22027E-02 ppm1 3.162 ppm2 7.605 CV 1
ASSI { 458}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1911 and name HD22))
3.900 1.900 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 3.151 ppm2 7.433 CV 1
ASSI { 459}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1912 and name H ))
2.900 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.34606E-02 ppm1 2.695 ppm2 7.599 CV 1
ASSI { 460}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1911 and name HD22))
4.000 2.000 2.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.34237E-02 ppm1 2.689 ppm2 7.416 CV 1
ASSI { 461}
(( segid "C " and resid 1911 and name HA ))
(( segid "C " and resid 1911 and name H ))
2.900 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.32419E-02 ppm1 4.257 ppm2 9.030 CV 1
ASSI { 462}
(( segid "C " and resid 1911 and name HB2 ))
(( segid "C " and resid 1911 and name H ))
2.800 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.35393E-02 ppm1 3.153 ppm2 9.025 CV 1
ASSI { 463}
(( segid "C " and resid 1911 and name HB3 ))
(( segid "C " and resid 1911 and name H ))
3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.40750E-02 ppm1 2.695 ppm2 9.022 CV 1
ASSI { 464}
(( segid "C " and resid 1910 and name HA ))
(( segid "C " and resid 1910 and name H ))
3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.23113E-02 ppm1 4.254 ppm2 8.126 CV 1
ASSI { 465}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1910 and name H ))
2.300 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.86893E-02 ppm1 2.554 ppm2 8.133 CV 1
OR { 465}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1910 and name H ))
ASSI { 471}
(( segid "C " and resid 1910 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
2.700 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.50442E-02 ppm1 4.263 ppm2 1.997 CV 1
OR { 471}
(( segid "C " and resid 1910 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 472}
(( segid "C " and resid 1910 and name HA ))
( segid "C " and resid 1914 and name HG2%)
3.700 1.700 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62501E-02 ppm1 4.254 ppm2 0.967 CV 1
OR { 472}
(( segid "C " and resid 1910 and name HA ))
(( segid "A " and resid 77 and name HG12))
OR { 472}
(( segid "C " and resid 1910 and name HA ))
(( segid "A " and resid 77 and name HG13))
ASSI { 473}
(( segid "C " and resid 1910 and name HA ))
( segid "C " and resid 1914 and name HG1%)
4.100 2.100 1.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.60568E-02 ppm1 4.252 ppm2 1.164 CV 1
OR { 473}
(( segid "C " and resid 1910 and name HA ))
(( segid "B " and resid 77 and name HG11))
OR { 473}
(( segid "C " and resid 1910 and name HA ))
(( segid "B " and resid 77 and name HG12))
OR { 473}
(( segid "C " and resid 1910 and name HA ))
(( segid "B " and resid 77 and name HG13))
OR { 473}
(( segid "C " and resid 1910 and name HA ))
(( segid "A " and resid 77 and name HG22))
OR { 473}
(( segid "C " and resid 1910 and name HA ))
(( segid "A " and resid 77 and name HG23))
ASSI { 474}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG22))
3.600 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13711E-01 ppm1 2.554 ppm2 1.162 CV 1
OR { 474}
(( segid "C " and resid 1910 and name HB3 ))
( segid "C " and resid 1914 and name HG1%)
OR { 474}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG23))
OR { 474}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG21))
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
( segid "C " and resid 1914 and name HG1%)
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG22))
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG23))
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG21))
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "B " and resid 77 and name HG12))
OR { 474}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "B " and resid 77 and name HG11))
ASSI { 475}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG12))
3.300 1.400 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.51179E-02 ppm1 2.557 ppm2 0.967 CV 1
OR { 475}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG13))
OR { 475}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG12))
OR { 475}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "A " and resid 77 and name HG11))
OR { 475}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG13))
OR { 475}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "A " and resid 77 and name HG11))
ASSI { 480}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1907 and name HA ))
2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.35273E-02 ppm1 2.557 ppm2 3.758 CV 1
OR { 480}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1907 and name HA ))
ASSI { 481}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1910 and name HA ))
2.300 0.700 0.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.84592E-02 ppm1 2.554 ppm2 4.259 CV 1
OR { 481}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1910 and name HA ))
ASSI { 482}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1910 and name HG3 ))
2.100 0.500 0.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.13701E-01 ppm1 2.556 ppm2 1.985 CV 1
OR { 482}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1910 and name HG2 ))
OR { 482}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1910 and name HG3 ))
OR { 482}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1910 and name HG2 ))
ASSI { 484}
(( segid "C " and resid 1910 and name HB3 ))
(( segid "C " and resid 1911 and name H ))
3.200 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24775E-02 ppm1 2.556 ppm2 9.022 CV 1
OR { 484}
(( segid "C " and resid 1910 and name HB2 ))
(( segid "C " and resid 1911 and name H ))
ASSI { 485}
(( segid "C " and resid 1910 and name HG2 ))
( segid "C " and resid 1914 and name HG1%)
4.200 2.200 1.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.39378E-02 ppm1 1.980 ppm2 1.165 CV 1
OR { 485}
(( segid "C " and resid 1910 and name HG3 ))
( segid "C " and resid 1914 and name HG1%)
OR { 485}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "A " and resid 77 and name HG22))
OR { 485}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "A " and resid 77 and name HG23))
OR { 485}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "A " and resid 77 and name HG21))
OR { 485}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "A " and resid 77 and name HG23))
OR { 485}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "A " and resid 77 and name HG22))
OR { 485}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "A " and resid 77 and name HG21))
OR { 485}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "B " and resid 77 and name HG11))
ASSI { 486}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "A " and resid 73 and name HB3 ))
4.400 2.400 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.34992E-02 ppm1 1.994 ppm2 2.266 CV 1
OR { 486}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "B " and resid 73 and name HB3 ))
OR { 486}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "B " and resid 73 and name HB3 ))
ASSI { 487}
(( segid "C " and resid 1910 and name HG2 ))
(( segid "C " and resid 1910 and name H ))
4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22524E-02 ppm1 1.974 ppm2 8.129 CV 1
OR { 487}
(( segid "C " and resid 1910 and name HG3 ))
(( segid "C " and resid 1910 and name H ))
ASSI { 488}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG21))
3.100 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.13365E-01 ppm1 2.007 ppm2 1.013 CV 1
OR { 488}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG22))
OR { 488}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG23))
ASSI { 489}
( segid "C " and resid 1910 and name HE% )
( segid "C " and resid 1914 and name HG2%)
3.500 1.500 1.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.18009E-01 ppm1 2.006 ppm2 0.970 CV 1
OR { 489}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 77 and name HG12))
OR { 489}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 77 and name HG13))
ASSI { 490}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG12))
2.400 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.94027E-01 ppm1 2.007 ppm2 1.163 CV 1
OR { 490}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG13))
OR { 490}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HG11))
OR { 490}
( segid "C " and resid 1910 and name HE% )
( segid "C " and resid 1914 and name HG1%)
ASSI { 492}
( segid "C " and resid 1910 and name HE% )
( segid "C " and resid 1906 and name HG2%)
4.100 2.100 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.49292E-02 ppm1 2.007 ppm2 1.308 CV 1
ASSI { 493}
(( segid "C " and resid 1910 and name HB2 ))
( segid "C " and resid 1906 and name HG2%)
4.200 2.200 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 2.554 ppm2 1.312 CV 1
OR { 493}
(( segid "C " and resid 1910 and name HB3 ))
( segid "C " and resid 1906 and name HG2%)
ASSI { 494}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name HE3 ))
1.900 0.500 0.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.41127E-01 ppm1 2.008 ppm2 2.227 CV 1
OR { 494}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name HE1 ))
OR { 494}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name HE2 ))
ASSI { 495}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HB ))
2.000 0.500 0.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.22128E-01 ppm1 2.008 ppm2 2.294 CV 1
OR { 495}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 73 and name HB3 ))
ASSI { 496}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 73 and name HG2 ))
2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.27407E-01 ppm1 2.008 ppm2 2.422 CV 1
ASSI { 497}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1910 and name HB2 ))
1.800 0.400 0.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.38117E-01 ppm1 2.007 ppm2 2.561 CV 1
OR { 497}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1910 and name HB3 ))
ASSI { 498}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name HG3 ))
4.100 2.100 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.48463E-02 ppm1 2.008 ppm2 2.803 CV 1
ASSI { 499}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 81 and name HG ))
2.600 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.12344E-01 ppm1 2.006 ppm2 2.905 CV 1
ASSI { 500}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 76 and name HB2 ))
2.200 0.600 0.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19349E-01 ppm1 2.007 ppm2 3.128 CV 1
ASSI { 501}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name HA ))
1.900 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.45863E-01 ppm1 2.007 ppm2 3.434 CV 1
OR { 501}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 80 and name HB3 ))
OR { 501}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 80 and name HB3 ))
ASSI { 502}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 81 and name HB2 ))
3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.15234E-01 ppm1 2.007 ppm2 3.319 CV 1
OR { 502}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 75 and name HB2 ))
ASSI { 503}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1907 and name HA ))
4.400 2.400 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.47175E-02 ppm1 2.007 ppm2 3.758 CV 1
ASSI { 504}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 76 and name HA ))
3.300 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.83258E-02 ppm1 2.007 ppm2 3.567 CV 1
ASSI { 505}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 73 and name HA ))
2.200 0.600 0.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.22469E-01 ppm1 2.007 ppm2 3.969 CV 1
OR { 505}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 80 and name HA ))
ASSI { 506}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name HA ))
4.700 2.800 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.28503E-02 ppm1 2.008 ppm2 4.058 CV 1
OR { 506}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 12 and name HA ))
ASSI { 507}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 80 and name HB2 ))
2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.31347E-01 ppm1 2.007 ppm2 4.255 CV 1
OR { 507}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1910 and name HA ))
ASSI { 509}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 78 and name H ))
3.500 1.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.97065E-02 ppm1 2.006 ppm2 7.661 CV 1
ASSI { 510}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1910 and name H ))
4.000 2.000 2.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.76216E-02 ppm1 2.008 ppm2 8.136 CV 1
ASSI { 511}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 77 and name H ))
2.300 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.11419E-01 ppm1 2.006 ppm2 8.370 CV 1
ASSI { 512}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 73 and name H ))
3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10466E-01 ppm1 2.007 ppm2 8.277 CV 1
OR { 512}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 80 and name H ))
ASSI { 513}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 81 and name H ))
3.400 1.400 1.400 peak 513 spectrum 1 weight 0.10000E+01 volume 0.78839E-02 ppm1 2.006 ppm2 8.572 CV 1
OR { 513}
( segid "C " and resid 1910 and name HE% )
(( segid "B " and resid 79 and name H ))
ASSI { 514}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1911 and name H ))
4.500 2.600 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.37330E-02 ppm1 2.007 ppm2 9.011 CV 1
ASSI { 515}
( segid "C " and resid 1910 and name HE% )
(( segid "A " and resid 84 and name H ))
4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.46162E-02 ppm1 2.009 ppm2 8.910 CV 1
OR { 515}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1918 and name H ))
ASSI { 516}
( segid "C " and resid 1910 and name HE% )
(( segid "C " and resid 1914 and name H ))
5.000 3.100 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.28696E-02 ppm1 2.006 ppm2 8.814 CV 1
ASSI { 517}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1909 and name H ))
2.300 0.600 0.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.32875E-01 ppm1 1.569 ppm2 8.064 CV 1
ASSI { 518}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name H ))
2.400 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.14507E-01 ppm1 1.572 ppm2 8.125 CV 1
ASSI { 519}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1911 and name H ))
4.400 2.400 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27352E-02 ppm1 1.568 ppm2 9.033 CV 1
ASSI { 520}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1908 and name H ))
4.500 2.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.36939E-02 ppm1 1.568 ppm2 8.905 CV 1
ASSI { 521}
(( segid "C " and resid 1909 and name HA ))
(( segid "C " and resid 1909 and name H ))
3.100 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.50719E-02 ppm1 4.133 ppm2 8.066 CV 1
ASSI { 522}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1906 and name H ))
4.500 2.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 1.571 ppm2 7.654 CV 1
OR { 522}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1907 and name H ))
ASSI { 523}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1906 and name HB ))
3.700 1.700 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.53020E-02 ppm1 1.568 ppm2 4.577 CV 1
ASSI { 524}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name HA ))
3.900 1.900 1.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.39880E-02 ppm1 1.571 ppm2 4.252 CV 1
ASSI { 525}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1909 and name HA ))
2.200 0.600 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.35360E-01 ppm1 1.569 ppm2 4.127 CV 1
ASSI { 526}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1908 and name HB2 ))
4.500 2.500 1.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.41238E-02 ppm1 1.569 ppm2 2.936 CV 1
ASSI { 530}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name HB3 ))
4.000 2.000 2.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.59693E-02 ppm1 1.568 ppm2 2.552 CV 1
OR { 530}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 532}
( segid "C " and resid 1909 and name HB% )
( segid "C " and resid 1906 and name HG2%)
3.200 1.300 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.57898E-02 ppm1 1.570 ppm2 1.311 CV 1
ASSI { 533}
( segid "C " and resid 1909 and name HB% )
(( segid "B " and resid 73 and name HB3 ))
4.600 2.700 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.24135E-02 ppm1 1.573 ppm2 2.270 CV 1
ASSI { 534}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1912 and name HB2 ))
4.200 2.200 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.29101E-02 ppm1 1.570 ppm2 2.144 CV 1
OR { 534}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1914 and name HB ))
ASSI { 535}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1912 and name HB3 ))
5.100 3.200 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.28572E-02 ppm1 1.567 ppm2 2.069 CV 1
ASSI { 536}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name HG2 ))
4.900 3.000 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.31559E-02 ppm1 1.569 ppm2 1.972 CV 1
OR { 536}
( segid "C " and resid 1909 and name HB% )
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 539}
(( segid "C " and resid 1908 and name HB2 ))
(( segid "C " and resid 1908 and name HB3 ))
1.700 0.400 0.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.44091E-01 ppm1 2.933 ppm2 2.816 CV 1
ASSI { 541}
(( segid "C " and resid 1908 and name HB2 ))
(( segid "C " and resid 1908 and name HA ))
2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 2.935 ppm2 4.459 CV 1
ASSI { 542}
(( segid "C " and resid 1908 and name HB3 ))
(( segid "C " and resid 1908 and name HA ))
3.100 1.200 1.200 peak 542 spectrum 1 weight 0.10000E+01 volume 0.96328E-02 ppm1 2.816 ppm2 4.458 CV 1
ASSI { 544}
(( segid "C " and resid 1908 and name HB3 ))
( segid "C " and resid 1909 and name HB% )
4.300 2.300 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.32419E-02 ppm1 2.817 ppm2 1.578 CV 1
ASSI { 545}
(( segid "C " and resid 1908 and name HA ))
(( segid "C " and resid 1908 and name H ))
3.200 1.300 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.48924E-02 ppm1 4.449 ppm2 8.898 CV 1
ASSI { 546}
(( segid "C " and resid 1908 and name HB2 ))
(( segid "C " and resid 1909 and name H ))
3.700 1.700 1.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.67932E-02 ppm1 2.934 ppm2 8.064 CV 1
ASSI { 547}
(( segid "C " and resid 1908 and name HB3 ))
(( segid "C " and resid 1909 and name H ))
2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.71475E-02 ppm1 2.816 ppm2 8.062 CV 1
ASSI { 548}
(( segid "C " and resid 1908 and name HB2 ))
(( segid "C " and resid 1908 and name H ))
2.900 1.000 1.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.13283E-01 ppm1 2.932 ppm2 8.899 CV 1
ASSI { 549}
(( segid "C " and resid 1908 and name HB3 ))
(( segid "C " and resid 1908 and name H ))
2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.12137E-01 ppm1 2.815 ppm2 8.898 CV 1
ASSI { 550}
(( segid "C " and resid 1907 and name HA ))
(( segid "A " and resid 81 and name HG ))
3.300 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 3.767 ppm2 2.895 CV 1
ASSI { 553}
(( segid "C " and resid 1907 and name HA ))
(( segid "B " and resid 73 and name HB3 ))
5.100 3.300 0.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.24342E-02 ppm1 3.758 ppm2 2.267 CV 1
OR { 553}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1905 and name HB3 ))
OR { 553}
(( segid "C " and resid 1907 and name HA ))
(( segid "A " and resid 73 and name HB3 ))
OR { 553}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 554}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1910 and name HG2 ))
4.000 2.000 2.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.24338E-02 ppm1 3.754 ppm2 1.968 CV 1
OR { 554}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 556}
(( segid "C " and resid 1907 and name HA ))
(( segid "A " and resid 77 and name HG22))
3.400 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.56057E-02 ppm1 3.763 ppm2 1.160 CV 1
OR { 556}
(( segid "C " and resid 1907 and name HA ))
(( segid "A " and resid 77 and name HG21))
OR { 556}
(( segid "C " and resid 1907 and name HA ))
(( segid "A " and resid 77 and name HG23))
ASSI { 557}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 77 and name HG22))
2.200 0.600 0.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.19270E-01 ppm1 1.635 ppm2 1.158 CV 1
OR { 557}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 77 and name HG21))
OR { 557}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 77 and name HG23))
ASSI { 558}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD11))
3.500 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.13853E-01 ppm1 1.635 ppm2 0.914 CV 1
OR { 558}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD13))
OR { 558}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD12))
ASSI { 560}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD23))
3.300 1.400 1.400 peak 560 spectrum 1 weight 0.10000E+01 volume 0.25111E-02 ppm1 1.636 ppm2 0.291 CV 1
OR { 560}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD22))
OR { 560}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HD21))
ASSI { 561}
( segid "C " and resid 1907 and name HB% )
( segid "C " and resid 1904 and name HG2%)
3.700 1.700 1.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.29768E-02 ppm1 1.634 ppm2 1.471 CV 1
ASSI { 562}
( segid "C " and resid 1907 and name HB% )
( segid "C " and resid 1910 and name HE% )
5.100 3.200 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.31315E-02 ppm1 1.639 ppm2 1.998 CV 1
ASSI { 563}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 77 and name HB ))
3.600 1.600 1.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.21751E-02 ppm1 1.633 ppm2 2.368 CV 1
ASSI { 564}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 85 and name HE2 ))
4.400 2.400 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.33496E-02 ppm1 1.639 ppm2 2.253 CV 1
OR { 564}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 85 and name HE3 ))
OR { 564}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 85 and name HE1 ))
ASSI { 565}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1910 and name HB3 ))
4.500 2.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.27992E-02 ppm1 1.639 ppm2 2.562 CV 1
OR { 565}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1910 and name HB2 ))
ASSI { 566}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 61 and name HB3 ))
2.600 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.73500E-02 ppm1 1.635 ppm2 2.913 CV 1
ASSI { 568}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1907 and name HA ))
2.200 0.600 0.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.15860E-01 ppm1 1.635 ppm2 3.757 CV 1
ASSI { 569}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 62 and name HA ))
3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.96697E-02 ppm1 1.638 ppm2 4.322 CV 1
OR { 569}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 74 and name HA ))
ASSI { 570}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 61 and name HA ))
3.800 1.800 1.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.37657E-02 ppm1 1.636 ppm2 4.476 CV 1
ASSI { 572}
(( segid "C " and resid 1907 and name HA ))
(( segid "C " and resid 1907 and name H ))
2.800 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.45527E-02 ppm1 3.757 ppm2 7.661 CV 1
ASSI { 573}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1911 and name HD22))
5.400 3.700 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.33934E-02 ppm1 1.637 ppm2 7.436 CV 1
ASSI { 574}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1907 and name H ))
2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.25226E-01 ppm1 1.636 ppm2 7.664 CV 1
ASSI { 575}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1911 and name HD21))
4.700 2.800 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.32102E-02 ppm1 1.634 ppm2 7.811 CV 1
ASSI { 576}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1911 and name H ))
4.300 2.300 1.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 1.637 ppm2 9.015 CV 1
ASSI { 577}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1908 and name H ))
2.700 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.92186E-02 ppm1 1.633 ppm2 8.896 CV 1
ASSI { 578}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 78 and name H ))
4.300 2.300 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.25773E-02 ppm1 1.636 ppm2 8.243 CV 1
OR { 578}
( segid "C " and resid 1907 and name HB% )
(( segid "A " and resid 61 and name H ))
ASSI { 579}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1910 and name H ))
4.800 2.800 1.200 peak 579 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 1.636 ppm2 8.132 CV 1
ASSI { 581}
( segid "C " and resid 1907 and name HB% )
(( segid "C " and resid 1909 and name H ))
4.600 2.700 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 1.637 ppm2 8.054 CV 1
ASSI { 584}
(( segid "C " and resid 1906 and name HB ))
(( segid "C " and resid 1906 and name HA ))
3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.68898E-02 ppm1 4.583 ppm2 4.651 CV 1
ASSI { 585}
(( segid "C " and resid 1906 and name HB ))
(( segid "C " and resid 1906 and name H ))
3.400 1.400 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.32180E-02 ppm1 4.578 ppm2 7.655 CV 1
ASSI { 586}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1909 and name H ))
4.200 2.200 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.36746E-02 ppm1 1.311 ppm2 8.060 CV 1
ASSI { 588}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1906 and name H ))
3.000 1.100 1.100 peak 588 spectrum 1 weight 0.10000E+01 volume 0.18350E-01 ppm1 1.311 ppm2 7.649 CV 1
ASSI { 589}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1906 and name HA ))
2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.25718E-01 ppm1 1.311 ppm2 4.652 CV 1
ASSI { 590}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1906 and name HB ))
2.200 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.37238E-01 ppm1 1.311 ppm2 4.586 CV 1
ASSI { 592}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HB3 ))
3.500 1.500 1.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.88919E-02 ppm1 1.312 ppm2 2.275 CV 1
OR { 592}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 593}
( segid "C " and resid 1906 and name HG2%)
(( segid "A " and resid 84 and name HE3 ))
3.000 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10015E-01 ppm1 1.310 ppm2 2.232 CV 1
OR { 593}
( segid "C " and resid 1906 and name HG2%)
(( segid "A " and resid 84 and name HE2 ))
OR { 593}
( segid "C " and resid 1906 and name HG2%)
(( segid "A " and resid 84 and name HE1 ))
ASSI { 594}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HG3 ))
3.600 1.600 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.55275E-02 ppm1 1.312 ppm2 2.645 CV 1
ASSI { 595}
( segid "C " and resid 1906 and name HG2%)
(( segid "C " and resid 1905 and name HG2 ))
3.400 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.90253E-02 ppm1 1.310 ppm2 2.551 CV 1
ASSI { 596}
( segid "C " and resid 1906 and name HG2%)
( segid "C " and resid 1909 and name HB% )
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.73454E-02 ppm1 1.314 ppm2 1.569 CV 1
ASSI { 597}
(( segid "C " and resid 1905 and name HA ))
(( segid "C " and resid 1905 and name H ))
2.800 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.83350E-02 ppm1 4.087 ppm2 7.646 CV 1
ASSI { 598}
(( segid "C " and resid 1905 and name HB3 ))
(( segid "C " and resid 1905 and name H ))
2.500 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.12546E-01 ppm1 2.276 ppm2 7.642 CV 1
OR { 598}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name H ))
ASSI { 599}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1905 and name H ))
3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.86847E-02 ppm1 2.649 ppm2 7.641 CV 1
ASSI { 600}
(( segid "C " and resid 1905 and name HG2 ))
(( segid "C " and resid 1905 and name H ))
3.900 1.900 1.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.79253E-02 ppm1 2.555 ppm2 7.640 CV 1
ASSI { 605}
(( segid "C " and resid 1905 and name HA ))
(( segid "C " and resid 1905 and name HB2 ))
2.500 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.13075E-01 ppm1 4.088 ppm2 2.277 CV 1
OR { 605}
(( segid "C " and resid 1905 and name HA ))
(( segid "C " and resid 1905 and name HB3 ))
ASSI { 606}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name HA ))
2.500 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.99872E-02 ppm1 2.280 ppm2 4.087 CV 1
ASSI { 608}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name HG3 ))
3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.77459E-02 ppm1 2.279 ppm2 2.648 CV 1
ASSI { 609}
(( segid "C " and resid 1905 and name HB2 ))
(( segid "C " and resid 1905 and name HG2 ))
2.900 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.90713E-02 ppm1 2.280 ppm2 2.554 CV 1
ASSI { 610}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1905 and name HB3 ))
2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15464E-01 ppm1 2.650 ppm2 2.280 CV 1
OR { 610}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 611}
(( segid "C " and resid 1905 and name HG2 ))
(( segid "C " and resid 1905 and name HB3 ))
2.400 0.700 0.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.15823E-01 ppm1 2.556 ppm2 2.278 CV 1
OR { 611}
(( segid "C " and resid 1905 and name HG2 ))
(( segid "C " and resid 1905 and name HB2 ))
ASSI { 612}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1905 and name HG2 ))
1.600 0.300 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.63605E-01 ppm1 2.651 ppm2 2.554 CV 1
ASSI { 615}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1905 and name HA ))
3.000 1.200 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.56748E-02 ppm1 2.652 ppm2 4.086 CV 1
ASSI { 616}
(( segid "C " and resid 1905 and name HG2 ))
(( segid "C " and resid 1905 and name HA ))
3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.67701E-02 ppm1 2.559 ppm2 4.088 CV 1
ASSI { 617}
(( segid "C " and resid 1905 and name HG3 ))
(( segid "C " and resid 1902 and name HA ))
4.600 2.600 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.41707E-02 ppm1 2.657 ppm2 4.655 CV 1
ASSI { 618}
(( segid "C " and resid 1905 and name HG2 ))
(( segid "C " and resid 1902 and name HA ))
3.700 1.700 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.45481E-02 ppm1 2.558 ppm2 4.656 CV 1
ASSI { 620}
(( segid "C " and resid 1905 and name HG2 ))
( segid "C " and resid 1906 and name HG2%)
3.900 1.900 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.38136E-02 ppm1 2.562 ppm2 1.314 CV 1
ASSI { 622}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 82 and name HD12))
3.800 1.800 1.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.25599E-02 ppm1 1.476 ppm2 -0.085 CV 1
OR { 622}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 82 and name HD13))
OR { 622}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 82 and name HD11))
ASSI { 624}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD23))
3.100 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.41905E-02 ppm1 1.472 ppm2 0.294 CV 1
OR { 624}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD21))
OR { 624}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD22))
ASSI { 625}
( segid "C " and resid 1904 and name HG2%)
( segid "C " and resid 1900 and name HD2%)
4.500 2.500 1.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.31218E-02 ppm1 1.472 ppm2 1.089 CV 1
ASSI { 626}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD11))
3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.11764E-01 ppm1 1.471 ppm2 0.912 CV 1
OR { 626}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD12))
OR { 626}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HD13))
ASSI { 627}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD11))
2.300 0.600 0.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11842E-01 ppm1 1.470 ppm2 0.824 CV 1
OR { 627}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD12))
OR { 627}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD13))
ASSI { 628}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD21))
4.400 2.400 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.37708E-02 ppm1 1.469 ppm2 0.748 CV 1
OR { 628}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD22))
OR { 628}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HD23))
ASSI { 629}
( segid "C " and resid 1904 and name HG2%)
( segid "C " and resid 1903 and name HB% )
2.800 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.90253E-02 ppm1 1.469 ppm2 1.555 CV 1
ASSI { 630}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1900 and name HB3 ))
3.300 1.400 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.37620E-02 ppm1 1.470 ppm2 2.075 CV 1
ASSI { 632}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 61 and name HB3 ))
3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.45808E-02 ppm1 1.473 ppm2 2.902 CV 1
ASSI { 633}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 81 and name HB3 ))
3.300 1.300 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.49246E-02 ppm1 1.470 ppm2 2.735 CV 1
OR { 633}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 85 and name HG2 ))
ASSI { 634}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 81 and name HB2 ))
3.400 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.46668E-02 ppm1 1.470 ppm2 3.335 CV 1
OR { 634}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 79 and name HA ))
ASSI { 635}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1900 and name HA ))
3.300 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.25028E-02 ppm1 1.466 ppm2 4.095 CV 1
ASSI { 637}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 58 and name HA ))
4.100 2.100 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.25548E-02 ppm1 1.470 ppm2 3.854 CV 1
OR { 637}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 78 and name HB2 ))
ASSI { 638}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 78 and name HB3 ))
4.300 2.300 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.24098E-02 ppm1 1.468 ppm2 3.469 CV 1
OR { 638}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 82 and name HA ))
ASSI { 639}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 62 and name HA ))
4.100 2.100 1.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.57990E-02 ppm1 1.474 ppm2 4.306 CV 1
OR { 639}
( segid "C " and resid 1904 and name HG2%)
(( segid "A " and resid 85 and name HA ))
ASSI { 640}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1904 and name HB ))
2.300 0.700 0.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.12597E-01 ppm1 1.470 ppm2 4.691 CV 1
OR { 640}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1904 and name HA ))
ASSI { 641}
( segid "C " and resid 1904 and name HG2%)
( segid "A " and resid 78 and name HD% )
2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.11400E-01 ppm1 1.472 ppm2 7.114 CV 1
ASSI { 642}
( segid "C " and resid 1904 and name HG2%)
( segid "A " and resid 78 and name HE% )
3.000 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.69819E-02 ppm1 1.471 ppm2 7.023 CV 1
ASSI { 643}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1905 and name H ))
4.000 2.000 2.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.35006E-02 ppm1 1.474 ppm2 7.648 CV 1
ASSI { 644}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1904 and name H ))
2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.61626E-02 ppm1 1.469 ppm2 7.461 CV 1
ASSI { 645}
( segid "C " and resid 1904 and name HG2%)
(( segid "C " and resid 1903 and name H ))
4.300 2.400 1.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.33786E-02 ppm1 1.464 ppm2 8.245 CV 1
ASSI { 646}
( segid "C " and resid 1904 and name HG2%)
( segid "C " and resid 1900 and name HD1%)
2.900 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.36667E-02 ppm1 1.472 ppm2 0.975 CV 1
ASSI { 647}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1904 and name H ))
2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.63513E-02 ppm1 1.563 ppm2 7.453 CV 1
ASSI { 648}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1905 and name H ))
4.000 2.000 2.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.38145E-02 ppm1 1.557 ppm2 7.642 CV 1
OR { 648}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1906 and name H ))
ASSI { 649}
(( segid "C " and resid 1903 and name HA ))
(( segid "C " and resid 1903 and name H ))
3.200 1.300 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.34730E-02 ppm1 4.335 ppm2 8.251 CV 1
ASSI { 650}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1903 and name H ))
2.000 0.500 0.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.21171E-01 ppm1 1.562 ppm2 8.254 CV 1
ASSI { 651}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1900 and name HA ))
1.900 0.500 0.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.10001E-01 ppm1 1.561 ppm2 4.103 CV 1
ASSI { 652}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1903 and name HA ))
2.000 0.500 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.28544E-01 ppm1 1.562 ppm2 4.334 CV 1
ASSI { 653}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1906 and name HB ))
4.100 2.100 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.24476E-02 ppm1 1.560 ppm2 4.582 CV 1
ASSI { 654}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1902 and name HA ))
4.500 2.500 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.27881E-02 ppm1 1.566 ppm2 4.669 CV 1
ASSI { 655}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 82 and name HA ))
3.800 1.800 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.32346E-02 ppm1 1.566 ppm2 3.482 CV 1
ASSI { 656}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 81 and name HB2 ))
4.400 2.400 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.28949E-02 ppm1 1.565 ppm2 3.327 CV 1
OR { 656}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 79 and name HA ))
ASSI { 657}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1898 and name HD3 ))
4.500 1.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.46300E-02 ppm1 1.562 ppm2 3.253 CV 1
OR { 657}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 89 and name HB2 ))
ASSI { 658}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1899 and name HG3 ))
2.900 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.63697E-02 ppm1 1.562 ppm2 2.556 CV 1
ASSI { 659}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1902 and name HB3 ))
3.500 1.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.44257E-02 ppm1 1.563 ppm2 2.854 CV 1
ASSI { 660}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 85 and name HG2 ))
3.000 1.100 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.68576E-02 ppm1 1.563 ppm2 2.727 CV 1
ASSI { 661}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 85 and name HB3 ))
2.400 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.63237E-02 ppm1 1.562 ppm2 2.294 CV 1
ASSI { 662}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 85 and name HE2 ))
2.300 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.10595E-01 ppm1 1.562 ppm2 2.220 CV 1
OR { 662}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 85 and name HE3 ))
OR { 662}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 85 and name HE1 ))
ASSI { 663}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1900 and name HB3 ))
4.100 2.100 1.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.27591E-02 ppm1 1.564 ppm2 2.082 CV 1
ASSI { 664}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1899 and name HB2 ))
3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.31646E-02 ppm1 1.564 ppm2 2.020 CV 1
ASSI { 666}
( segid "C " and resid 1903 and name HB% )
( segid "C " and resid 1900 and name HD2%)
4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.39889E-02 ppm1 1.563 ppm2 1.090 CV 1
ASSI { 667}
( segid "C " and resid 1903 and name HB% )
( segid "C " and resid 1900 and name HD1%)
3.200 1.300 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.61488E-02 ppm1 1.563 ppm2 0.977 CV 1
ASSI { 668}
( segid "C " and resid 1903 and name HB% )
(( segid "B " and resid 9 and name HD13))
5.600 3.900 0.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.19510E-02 ppm1 1.565 ppm2 0.836 CV 1
OR { 668}
( segid "C " and resid 1903 and name HB% )
(( segid "B " and resid 9 and name HD12))
OR { 668}
( segid "C " and resid 1903 and name HB% )
(( segid "B " and resid 9 and name HD11))
ASSI { 669}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 82 and name HD12))
4.800 2.900 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.21861E-02 ppm1 1.560 ppm2 -0.086 CV 1
OR { 669}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 82 and name HD11))
OR { 669}
( segid "C " and resid 1903 and name HB% )
(( segid "A " and resid 82 and name HD13))
ASSI { 670}
( segid "C " and resid 1903 and name HB% )
(( segid "C " and resid 1902 and name H ))
4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.43617E-02 ppm1 1.560 ppm2 7.410 CV 1
ASSI { 671}
(( segid "C " and resid 1902 and name HB2 ))
(( segid "C " and resid 1902 and name H ))
3.300 1.300 1.300 peak 671 spectrum 1 weight 0.10000E+01 volume 0.38499E-02 ppm1 2.858 ppm2 7.411 CV 1
OR { 671}
(( segid "C " and resid 1902 and name HB3 ))
(( segid "C " and resid 1902 and name H ))
ASSI { 672}
(( segid "C " and resid 1902 and name HB2 ))
(( segid "C " and resid 1903 and name H ))
3.600 1.600 1.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.37832E-02 ppm1 2.854 ppm2 8.252 CV 1
OR { 672}
(( segid "C " and resid 1902 and name HB3 ))
(( segid "C " and resid 1903 and name H ))
ASSI { 673}
(( segid "C " and resid 1902 and name HB2 ))
(( segid "C " and resid 1902 and name HA ))
3.300 1.400 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.42020E-02 ppm1 2.857 ppm2 4.654 CV 1
OR { 673}
(( segid "C " and resid 1902 and name HB3 ))
(( segid "C " and resid 1902 and name HA ))
ASSI { 674}
(( segid "C " and resid 1902 and name HB3 ))
( segid "C " and resid 1903 and name HB% )
4.600 2.700 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 2.855 ppm2 1.560 CV 1
OR { 674}
(( segid "C " and resid 1902 and name HB2 ))
( segid "C " and resid 1903 and name HB% )
ASSI { 675}
(( segid "C " and resid 1902 and name HB2 ))
(( segid "C " and resid 1901 and name HB3 ))
4.600 2.600 1.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.22340E-02 ppm1 2.858 ppm2 2.017 CV 1
OR { 675}
(( segid "C " and resid 1902 and name HB3 ))
(( segid "C " and resid 1901 and name HB3 ))
ASSI { 676}
(( segid "C " and resid 1901 and name HB3 ))
(( segid "C " and resid 1905 and name HB2 ))
3.900 1.900 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.41693E-02 ppm1 2.025 ppm2 2.266 CV 1
OR { 676}
(( segid "C " and resid 1901 and name HB3 ))
(( segid "C " and resid 1905 and name HB3 ))
ASSI { 677}
(( segid "C " and resid 1901 and name HB2 ))
(( segid "C " and resid 1905 and name HB2 ))
3.800 1.800 1.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.48601E-02 ppm1 2.090 ppm2 2.274 CV 1
OR { 677}
(( segid "C " and resid 1901 and name HB2 ))
(( segid "C " and resid 1905 and name HB3 ))
ASSI { 678}
(( segid "C " and resid 1901 and name HB2 ))
(( segid "C " and resid 1901 and name HA ))
3.400 1.500 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.22308E-02 ppm1 2.081 ppm2 3.724 CV 1
ASSI { 679}
(( segid "C " and resid 1901 and name HB3 ))
(( segid "C " and resid 1901 and name HA ))
3.700 1.700 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.16638E-02 ppm1 2.026 ppm2 3.723 CV 1
ASSI { 680}
(( segid "C " and resid 1900 and name HB3 ))
(( segid "C " and resid 1900 and name H ))
4.000 2.000 2.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 2.086 ppm2 9.093 CV 1
ASSI { 681}
(( segid "C " and resid 1900 and name HG ))
(( segid "C " and resid 1900 and name H ))
3.900 1.900 1.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 2.111 ppm2 9.117 CV 1
ASSI { 682}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name H ))
3.300 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.48003E-02 ppm1 0.980 ppm2 9.101 CV 1
ASSI { 683}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name H ))
3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.30265E-02 ppm1 1.091 ppm2 9.111 CV 1
ASSI { 684}
( segid "C " and resid 1900 and name HD1%)
( segid "A " and resid 78 and name HE% )
2.100 0.600 0.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.16845E-01 ppm1 0.978 ppm2 7.036 CV 1
ASSI { 685}
( segid "C " and resid 1900 and name HD1%)
( segid "A " and resid 78 and name HD% )
3.200 1.300 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.48786E-02 ppm1 0.981 ppm2 7.111 CV 1
ASSI { 686}
( segid "C " and resid 1900 and name HD1%)
( segid "A " and resid 45 and name HD% )
3.500 1.600 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.67103E-02 ppm1 0.979 ppm2 7.217 CV 1
ASSI { 687}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1903 and name H ))
4.700 2.700 1.300 peak 687 spectrum 1 weight 0.10000E+01 volume 0.34849E-02 ppm1 0.973 ppm2 8.246 CV 1
ASSI { 688}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 59 and name H ))
5.300 3.500 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.24807E-02 ppm1 0.980 ppm2 8.014 CV 1
ASSI { 689}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1903 and name H ))
5.000 3.200 1.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.20748E-02 ppm1 1.083 ppm2 8.249 CV 1
ASSI { 690}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 59 and name H ))
5.700 4.000 0.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.21539E-02 ppm1 1.090 ppm2 8.005 CV 1
ASSI { 691}
( segid "C " and resid 1900 and name HD2%)
( segid "A " and resid 45 and name HD% )
3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.40101E-02 ppm1 1.086 ppm2 7.222 CV 1
ASSI { 692}
( segid "C " and resid 1900 and name HD2%)
( segid "A " and resid 78 and name HE% )
2.800 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.14037E-01 ppm1 1.088 ppm2 7.040 CV 1
ASSI { 693}
( segid "C " and resid 1900 and name HD2%)
( segid "A " and resid 78 and name HD% )
4.200 2.200 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.37680E-02 ppm1 1.086 ppm2 7.100 CV 1
ASSI { 694}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HA ))
1.900 0.500 0.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.18543E-01 ppm1 0.978 ppm2 4.103 CV 1
ASSI { 695}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 46 and name HA ))
3.900 1.900 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.41997E-02 ppm1 0.974 ppm2 4.364 CV 1
OR { 695}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 43 and name HA ))
ASSI { 696}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HA ))
3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.66275E-02 ppm1 1.088 ppm2 4.110 CV 1
ASSI { 697}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 45 and name HA ))
4.600 2.600 1.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.20071E-02 ppm1 1.090 ppm2 4.492 CV 1
ASSI { 698}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 50 and name HB ))
3.900 1.900 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.68898E-02 ppm1 1.087 ppm2 4.381 CV 1
ASSI { 699}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 45 and name HA ))
4.300 2.300 1.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.37758E-02 ppm1 0.976 ppm2 4.485 CV 1
OR { 699}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 61 and name HA ))
ASSI { 700}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 45 and name HB3 ))
2.900 1.100 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.61672E-02 ppm1 0.976 ppm2 2.876 CV 1
ASSI { 701}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 45 and name HB2 ))
3.300 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.71844E-02 ppm1 0.980 ppm2 3.367 CV 1
ASSI { 702}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HA ))
3.900 1.900 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.39415E-02 ppm1 0.976 ppm2 3.486 CV 1
ASSI { 703}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 45 and name HB3 ))
2.900 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.36861E-02 ppm1 1.087 ppm2 2.876 CV 1
ASSI { 704}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 45 and name HB2 ))
3.500 1.500 1.500 peak 704 spectrum 1 weight 0.10000E+01 volume 0.43396E-02 ppm1 1.086 ppm2 3.372 CV 1
ASSI { 705}
(( segid "C " and resid 1900 and name HB2 ))
(( segid "C " and resid 1900 and name HB3 ))
1.800 0.400 0.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.62409E-02 ppm1 1.615 ppm2 2.076 CV 1
ASSI { 716}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 85 and name HE3 ))
2.400 0.700 0.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.15501E-01 ppm1 0.979 ppm2 2.219 CV 1
OR { 716}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 85 and name HE2 ))
OR { 716}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 85 and name HE1 ))
ASSI { 717}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 85 and name HE3 ))
3.300 1.300 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.51501E-02 ppm1 1.087 ppm2 2.221 CV 1
OR { 717}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 85 and name HE2 ))
OR { 717}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 85 and name HE1 ))
ASSI { 719}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HG ))
2.000 0.500 0.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.22810E-01 ppm1 1.087 ppm2 2.111 CV 1
ASSI { 720}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HB3 ))
2.600 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.22883E-01 ppm1 1.085 ppm2 2.069 CV 1
ASSI { 721}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HG ))
1.900 0.400 0.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.26004E-01 ppm1 0.975 ppm2 2.103 CV 1
ASSI { 722}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HB3 ))
2.600 0.800 0.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12454E-01 ppm1 0.975 ppm2 2.061 CV 1
ASSI { 723}
( segid "C " and resid 1900 and name HD1%)
( segid "C " and resid 1903 and name HB% )
2.500 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.20633E-01 ppm1 0.977 ppm2 1.584 CV 1
OR { 723}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HB3 ))
OR { 723}
( segid "C " and resid 1900 and name HD1%)
(( segid "C " and resid 1900 and name HB2 ))
ASSI { 724}
( segid "C " and resid 1900 and name HD2%)
(( segid "C " and resid 1900 and name HB2 ))
2.300 0.700 0.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11943E-01 ppm1 1.087 ppm2 1.600 CV 1
ASSI { 725}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD12))
3.700 1.700 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.61948E-02 ppm1 1.089 ppm2 0.823 CV 1
OR { 725}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD13))
OR { 725}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD11))
ASSI { 726}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD22))
2.900 1.000 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.11534E-01 ppm1 1.087 ppm2 0.745 CV 1
OR { 726}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD21))
OR { 726}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 58 and name HD23))
ASSI { 727}
( segid "C " and resid 1900 and name HD2%)
( segid "C " and resid 1900 and name HD1%)
2.000 0.500 0.500 peak 727 spectrum 1 weight 0.10000E+01 volume 0.54815E-01 ppm1 1.088 ppm2 0.991 CV 1
OR { 727}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 46 and name HD23))
OR { 727}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 46 and name HD21))
OR { 727}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 46 and name HD22))
OR { 727}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 38 and name HD22))
ASSI { 728}
( segid "C " and resid 1900 and name HD1%)
( segid "C " and resid 1900 and name HD2%)
2.000 0.500 0.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.48325E-01 ppm1 0.978 ppm2 1.084 CV 1
ASSI { 729}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HG13))
3.600 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.73777E-02 ppm1 0.975 ppm2 1.152 CV 1
OR { 729}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 37 and name HB3 ))
OR { 729}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 77 and name HG21))
OR { 729}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 50 and name HG23))
ASSI { 730}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HD12))
2.400 0.700 0.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.16274E-01 ppm1 0.978 ppm2 -0.085 CV 1
OR { 730}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HD13))
OR { 730}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HD11))
ASSI { 731}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HG21))
3.400 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.60384E-02 ppm1 0.978 ppm2 0.040 CV 1
OR { 731}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HG22))
OR { 731}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HG23))
ASSI { 732}
( segid "C " and resid 1900 and name HD1%)
(( segid "A " and resid 82 and name HG12))
2.600 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.89931E-02 ppm1 0.978 ppm2 0.326 CV 1
ASSI { 733}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 82 and name HD12))
3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.70003E-02 ppm1 1.086 ppm2 -0.084 CV 1
OR { 733}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 82 and name HD13))
OR { 733}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 82 and name HD11))
ASSI { 735}
( segid "C " and resid 1900 and name HD2%)
(( segid "A " and resid 82 and name HG12))
4.000 2.000 2.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 1.083 ppm2 0.323 CV 1
ASSI { 736}
(( segid "C " and resid 1900 and name HA ))
(( segid "C " and resid 1900 and name HB3 ))
2.400 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.44340E-02 ppm1 4.102 ppm2 2.080 CV 1
ASSI { 737}
(( segid "C " and resid 1899 and name HA ))
(( segid "C " and resid 1900 and name H ))
3.600 1.600 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.28503E-02 ppm1 4.575 ppm2 9.106 CV 1
ASSI { 739}
(( segid "C " and resid 1899 and name HB2 ))
(( segid "C " and resid 1899 and name HG2 ))
3.400 1.400 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.54308E-02 ppm1 2.014 ppm2 2.458 CV 1
ASSI { 740}
(( segid "C " and resid 1899 and name HB2 ))
(( segid "C " and resid 1899 and name H ))
4.200 2.200 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.23067E-02 ppm1 2.012 ppm2 8.743 CV 1
ASSI { 741}
(( segid "C " and resid 1899 and name HG3 ))
(( segid "C " and resid 1899 and name HB2 ))
2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.54216E-02 ppm1 2.543 ppm2 2.016 CV 1
ASSI { 743}
(( segid "C " and resid 1899 and name HG3 ))
(( segid "C " and resid 1899 and name HA ))
4.000 2.000 2.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.43318E-02 ppm1 2.545 ppm2 4.584 CV 1
ASSI { 744}
(( segid "C " and resid 1899 and name HG2 ))
(( segid "C " and resid 1899 and name HA ))
4.000 2.000 2.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.33657E-02 ppm1 2.465 ppm2 4.574 CV 1
ASSI { 745}
(( segid "C " and resid 1899 and name HG3 ))
(( segid "C " and resid 1899 and name H ))
3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 2.546 ppm2 8.741 CV 1
ASSI { 746}
(( segid "C " and resid 1899 and name HG2 ))
(( segid "C " and resid 1899 and name H ))
2.300 0.700 0.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 2.467 ppm2 8.741 CV 1
ASSI { 747}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HB2 ))
2.600 0.800 0.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.69588E-02 ppm1 4.561 ppm2 2.031 CV 1
ASSI { 748}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HG2 ))
3.100 1.200 1.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.45932E-02 ppm1 4.561 ppm2 1.777 CV 1
OR { 748}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HG3 ))
ASSI { 749}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HB3 ))
3.500 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 4.558 ppm2 1.861 CV 1
ASSI { 750}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HD3 ))
4.100 2.100 1.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.31135E-02 ppm1 4.561 ppm2 3.252 CV 1
OR { 750}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name HD2 ))
ASSI { 751}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1899 and name H ))
2.200 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.93981E-02 ppm1 4.558 ppm2 8.740 CV 1
ASSI { 752}
(( segid "C " and resid 1898 and name HA ))
(( segid "C " and resid 1898 and name H ))
3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.39001E-02 ppm1 4.561 ppm2 8.027 CV 1
ASSI { 755}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name HD2 ))
3.800 1.800 1.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.40018E-02 ppm1 2.029 ppm2 3.254 CV 1
OR { 755}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name HD3 ))
ASSI { 756}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name HD2 ))
3.400 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.32663E-02 ppm1 1.870 ppm2 3.253 CV 1
OR { 756}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name HD3 ))
ASSI { 757}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name HB2 ))
2.000 0.500 0.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.11211E-01 ppm1 1.876 ppm2 2.030 CV 1
ASSI { 759}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name HG3 ))
2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.75157E-02 ppm1 2.036 ppm2 1.790 CV 1
OR { 759}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name HG2 ))
ASSI { 760}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name HG3 ))
3.100 1.200 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.44335E-02 ppm1 1.876 ppm2 1.773 CV 1
OR { 760}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name HG2 ))
ASSI { 761}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1898 and name H ))
3.400 1.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.26220E-02 ppm1 2.045 ppm2 8.028 CV 1
ASSI { 762}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1898 and name H ))
3.100 1.200 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.33749E-02 ppm1 1.872 ppm2 8.029 CV 1
ASSI { 764}
(( segid "C " and resid 1898 and name HB2 ))
(( segid "C " and resid 1899 and name H ))
4.300 2.300 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.25019E-02 ppm1 2.023 ppm2 8.740 CV 1
ASSI { 766}
(( segid "C " and resid 1898 and name HB3 ))
(( segid "C " and resid 1899 and name H ))
4.300 2.400 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.19684E-02 ppm1 1.862 ppm2 8.746 CV 1
ASSI { 767}
(( segid "C " and resid 1897 and name HA ))
(( segid "C " and resid 1898 and name H ))
2.500 0.800 0.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13683E-01 ppm1 4.357 ppm2 8.030 CV 1
ASSI { 769}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1897 and name HE22))
3.700 1.700 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.79990E-02 ppm1 2.376 ppm2 6.723 CV 1
ASSI { 771}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1898 and name H ))
3.400 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.70233E-02 ppm1 2.376 ppm2 8.031 CV 1
ASSI { 772}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1897 and name HE21))
2.700 0.900 0.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.11874E-01 ppm1 2.376 ppm2 7.585 CV 1
ASSI { 775}
(( segid "C " and resid 1897 and name HB3 ))
(( segid "C " and resid 1898 and name H ))
4.600 2.600 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 2.076 ppm2 8.033 CV 1
ASSI { 776}
(( segid "C " and resid 1897 and name HB2 ))
(( segid "C " and resid 1898 and name H ))
4.300 2.400 1.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.31513E-02 ppm1 2.146 ppm2 8.033 CV 1
ASSI { 778}
(( segid "C " and resid 1897 and name HG3 ))
(( segid "C " and resid 1897 and name HA ))
3.000 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.15920E-01 ppm1 2.376 ppm2 4.358 CV 1
OR { 778}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1897 and name HA ))
ASSI { 779}
(( segid "C " and resid 1897 and name HB3 ))
(( segid "C " and resid 1897 and name HA ))
2.900 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.95362E-02 ppm1 2.076 ppm2 4.358 CV 1
ASSI { 780}
(( segid "C " and resid 1897 and name HB2 ))
(( segid "C " and resid 1897 and name HA ))
2.400 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.14447E-01 ppm1 2.137 ppm2 4.350 CV 1
ASSI { 781}
(( segid "C " and resid 1897 and name HG3 ))
(( segid "C " and resid 1897 and name HB2 ))
2.300 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.28687E-01 ppm1 2.376 ppm2 2.147 CV 1
OR { 781}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1897 and name HB2 ))
ASSI { 782}
(( segid "C " and resid 1897 and name HG3 ))
(( segid "C " and resid 1897 and name HB3 ))
2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.24397E-01 ppm1 2.375 ppm2 2.076 CV 1
OR { 782}
(( segid "C " and resid 1897 and name HG2 ))
(( segid "C " and resid 1897 and name HB3 ))
ASSI { 903}
(( segid "C " and resid 1912 and name HB2 ))
(( segid "C " and resid 1912 and name HA ))
2.500 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.31278E-01 ppm1 2.134 ppm2 4.172 CV 1
ASSI { 4}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 94 and name HD2 ))
2.000 0.500 0.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.13021E-01 ppm1 4.789 ppm2 3.715 CV 1
OR { 4}
(( segid "A " and resid 93 and name HA ))
(( segid "A " and resid 94 and name HD2 ))
ASSI { 5}
(( segid "B " and resid 93 and name HA ))
(( segid "B " and resid 94 and name HD3 ))
2.000 0.500 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.14629E-01 ppm1 4.795 ppm2 3.567 CV 1
OR { 5}
(( segid "A " and resid 93 and name HA ))
(( segid "A " and resid 94 and name HD3 ))
ASSI { 6}
(( segid "A " and resid 93 and name HB2 ))
(( segid "A " and resid 94 and name HD3 ))
3.600 1.600 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.44697E-02 ppm1 3.161 ppm2 3.567 CV 1
OR { 6}
(( segid "B " and resid 93 and name HB2 ))
(( segid "B " and resid 94 and name HD3 ))
ASSI { 7}
(( segid "A " and resid 93 and name HB3 ))
(( segid "A " and resid 94 and name HD3 ))
4.100 2.100 1.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 2.942 ppm2 3.567 CV 1
OR { 7}
(( segid "B " and resid 93 and name HB3 ))
(( segid "B " and resid 94 and name HD3 ))
ASSI { 8}
(( segid "A " and resid 93 and name HB3 ))
(( segid "A " and resid 94 and name HD2 ))
3.700 1.800 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17022E-02 ppm1 2.942 ppm2 3.718 CV 1
OR { 8}
(( segid "B " and resid 93 and name HB3 ))
(( segid "B " and resid 94 and name HD2 ))
ASSI { 9}
(( segid "A " and resid 93 and name HB3 ))
(( segid "A " and resid 93 and name HA ))
2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.45649E-02 ppm1 2.942 ppm2 4.799 CV 1
OR { 9}
(( segid "B " and resid 93 and name HB3 ))
(( segid "B " and resid 93 and name HA ))
ASSI { 10}
(( segid "A " and resid 93 and name HB2 ))
(( segid "A " and resid 94 and name HD2 ))
3.300 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.35547E-02 ppm1 3.160 ppm2 3.722 CV 1
OR { 10}
(( segid "B " and resid 93 and name HB2 ))
(( segid "B " and resid 94 and name HD2 ))
ASSI { 11}
(( segid "A " and resid 93 and name HB2 ))
(( segid "A " and resid 93 and name HA ))
2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.75889E-02 ppm1 3.161 ppm2 4.800 CV 1
OR { 11}
(( segid "B " and resid 93 and name HB2 ))
(( segid "B " and resid 93 and name HA ))
ASSI { 15}
(( segid "B " and resid 93 and name HB3 ))
( segid "B " and resid 93 and name HD% )
2.400 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.72050E-02 ppm1 2.943 ppm2 7.291 CV 1
OR { 15}
(( segid "A " and resid 93 and name HB3 ))
( segid "A " and resid 93 and name HD% )
ASSI { 18}
(( segid "B " and resid 93 and name HA ))
( segid "B " and resid 93 and name HD% )
2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.61105E-02 ppm1 4.800 ppm2 7.291 CV 1
OR { 18}
(( segid "A " and resid 93 and name HA ))
( segid "A " and resid 93 and name HD% )
ASSI { 122}
(( segid "B " and resid 88 and name HA ))
(( segid "B " and resid 89 and name H ))
3.100 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 3.941 ppm2 7.377 CV 1
OR { 122}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 89 and name H ))
ASSI { 133}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 87 and name HB3 ))
3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14792E-02 ppm1 3.936 ppm2 1.776 CV 1
OR { 133}
(( segid "B " and resid 88 and name HA ))
(( segid "B " and resid 101 and name HB3 ))
ASSI { 136}
(( segid "A " and resid 88 and name HB2 ))
(( segid "A " and resid 88 and name HA ))
2.800 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.38627E-02 ppm1 2.046 ppm2 3.944 CV 1
OR { 136}
(( segid "B " and resid 88 and name HB2 ))
(( segid "B " and resid 88 and name HA ))
ASSI { 138}
(( segid "B " and resid 88 and name HB3 ))
(( segid "B " and resid 88 and name HA ))
2.600 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.52304E-02 ppm1 1.900 ppm2 3.945 CV 1
OR { 138}
(( segid "A " and resid 88 and name HB3 ))
(( segid "A " and resid 88 and name HA ))
ASSI { 154}
(( segid "A " and resid 87 and name HA ))
( segid "A " and resid 90 and name HD% )
3.600 1.700 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 4.246 ppm2 6.913 CV 1
OR { 154}
(( segid "A " and resid 87 and name HA ))
(( segid "B " and resid 72 and name HZ ))
ASSI { 170}
(( segid "B " and resid 62 and name HA ))
( segid "C " and resid 1917 and name HD1%)
4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 4.269 ppm2 1.187 CV 1
OR { 170}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 70 and name HG12))
OR { 170}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 70 and name HG13))
ASSI { 176}
(( segid "B " and resid 62 and name HA ))
( segid "C " and resid 1921 and name HD2%)
4.400 2.400 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.96762E-03 ppm1 4.266 ppm2 0.905 CV 1
OR { 176}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 70 and name HG21))
OR { 176}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 70 and name HG22))
OR { 176}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 70 and name HG23))
ASSI { 192}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG12))
2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.23280E-02 ppm1 3.083 ppm2 1.276 CV 1
OR { 192}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG11))
OR { 192}
(( segid "A " and resid 86 and name HB3 ))
(( segid "B " and resid 13 and name HG13))
OR { 192}
(( segid "B " and resid 86 and name HB3 ))
(( segid "A " and resid 13 and name HG12))
ASSI { 223}
(( segid "A " and resid 85 and name HA ))
(( segid "A " and resid 88 and name HG2 ))
4.200 2.200 1.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.93249E-03 ppm1 4.291 ppm2 2.412 CV 1
OR { 223}
(( segid "A " and resid 85 and name HA ))
(( segid "A " and resid 87 and name HB2 ))
ASSI { 268}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 58 and name HD22))
2.700 2.700 3.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.84535E-03 ppm1 2.187 ppm2 0.820 CV 1
OR { 268}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD22))
OR { 268}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 58 and name HD23))
OR { 268}
(( segid "A " and resid 85 and name HE1 ))
(( segid "A " and resid 58 and name HD21))
OR { 268}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD23))
OR { 268}
(( segid "A " and resid 85 and name HE3 ))
(( segid "A " and resid 58 and name HD21))
OR { 268}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD22))
OR { 268}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD23))
OR { 268}
(( segid "A " and resid 85 and name HE3 ))
(( segid "B " and resid 9 and name HD11))
OR { 268}
(( segid "A " and resid 85 and name HE2 ))
(( segid "A " and resid 58 and name HD21))
OR { 268}
(( segid "A " and resid 85 and name HE3 ))
(( segid "B " and resid 9 and name HD12))
ASSI { 311}
(( segid "B " and resid 85 and name HE2 ))
( segid "C " and resid 1921 and name HD1%)
2.100 0.600 0.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.19337E-01 ppm1 2.098 ppm2 0.933 CV 1
OR { 311}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1921 and name HD1%)
OR { 311}
(( segid "B " and resid 85 and name HE1 ))
( segid "C " and resid 1926 and name HD1%)
OR { 311}
(( segid "B " and resid 85 and name HE3 ))
( segid "C " and resid 1921 and name HD1%)
ASSI { 317}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1918 and name HE3 ))
2.100 2.100 3.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.33229E-02 ppm1 2.098 ppm2 3.037 CV 1
OR { 317}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HB3 ))
OR { 317}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HB3 ))
OR { 317}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1918 and name HE3 ))
OR { 317}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1918 and name HE2 ))
OR { 317}
(( segid "B " and resid 85 and name HE2 ))
(( segid "C " and resid 1928 and name HB3 ))
OR { 317}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1918 and name HE3 ))
ASSI { 318}
(( segid "B " and resid 85 and name HE3 ))
(( segid "C " and resid 1928 and name HB2 ))
2.100 2.100 3.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 2.099 ppm2 3.071 CV 1
OR { 318}
(( segid "B " and resid 85 and name HE1 ))
(( segid "C " and resid 1928 and name HB2 ))
OR { 318}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 86 and name HB3 ))
OR { 318}
(( segid "B " and resid 85 and name HE2 ))
(( segid "B " and resid 86 and name HB3 ))
ASSI { 320}
(( segid "B " and resid 85 and name HE3 ))
(( segid "B " and resid 45 and name HB2 ))
2.300 2.300 3.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.23757E-02 ppm1 2.097 ppm2 3.410 CV 1
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ASSI { 489}
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( segid "C " and resid 1930 and name HG2%)
4.300 2.300 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.76667E-03 ppm1 1.744 ppm2 1.041 CV 1
OR { 489}
(( segid "B " and resid 83 and name HB1 ))
( segid "C " and resid 1930 and name HG2%)
OR { 489}
(( segid "B " and resid 83 and name HB2 ))
( segid "C " and resid 1930 and name HG2%)
OR { 489}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 79 and name HB3 ))
OR { 489}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 79 and name HB3 ))
OR { 489}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 79 and name HB3 ))
OR { 489}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 5 and name HD23))
OR { 489}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 5 and name HD23))
OR { 489}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 5 and name HD23))
OR { 489}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 5 and name HD21))
OR { 489}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 5 and name HD21))
OR { 489}
(( segid "A " and resid 83 and name HB2 ))
(( segid "A " and resid 5 and name HD22))
OR { 489}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 5 and name HD21))
OR { 489}
(( segid "A " and resid 83 and name HB3 ))
(( segid "A " and resid 5 and name HD22))
OR { 489}
(( segid "A " and resid 83 and name HB1 ))
(( segid "A " and resid 5 and name HD22))
ASSI { 490}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 13 and name HG11))
2.300 0.600 0.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.12600E-01 ppm1 1.744 ppm2 1.276 CV 1
OR { 490}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 13 and name HG11))
OR { 490}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 13 and name HG11))
OR { 490}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 13 and name HG13))
OR { 490}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 13 and name HG11))
OR { 490}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 13 and name HG12))
OR { 490}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 13 and name HG12))
OR { 490}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 13 and name HG13))
OR { 490}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 13 and name HG12))
OR { 490}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 13 and name HG13))
OR { 490}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 13 and name HG13))
OR { 490}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 13 and name HG12))
ASSI { 491}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 12 and name HE2 ))
2.500 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.79531E-02 ppm1 1.743 ppm2 1.885 CV 1
OR { 491}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 12 and name HE3 ))
OR { 491}
(( segid "B " and resid 83 and name HB1 ))
(( segid "A " and resid 12 and name HE1 ))
OR { 491}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 12 and name HE3 ))
OR { 491}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 12 and name HE2 ))
OR { 491}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 12 and name HE3 ))
OR { 491}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 12 and name HE3 ))
OR { 491}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 12 and name HE3 ))
OR { 491}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 12 and name HE2 ))
OR { 491}
(( segid "B " and resid 83 and name HB3 ))
(( segid "A " and resid 12 and name HE3 ))
OR { 491}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 12 and name HE2 ))
OR { 491}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 12 and name HE2 ))
OR { 491}
(( segid "B " and resid 83 and name HB2 ))
(( segid "A " and resid 12 and name HE1 ))
OR { 491}
(( segid "A " and resid 83 and name HB3 ))
(( segid "B " and resid 12 and name HE1 ))
OR { 491}
(( segid "A " and resid 83 and name HB2 ))
(( segid "B " and resid 12 and name HE1 ))
OR { 491}
(( segid "A " and resid 83 and name HB1 ))
(( segid "B " and resid 12 and name HE1 ))
ASSI { 555}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 42 and name HD13))
3.600 1.600 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 0.048 ppm2 0.869 CV 1
OR { 555}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 13 and name HG21))
OR { 555}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 13 and name HG23))
OR { 555}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 42 and name HD12))
OR { 555}
(( segid "A " and resid 82 and name HG22))
(( segid "A " and resid 42 and name HD11))
OR { 555}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 13 and name HG21))
OR { 555}
(( segid "A " and resid 82 and name HG21))
(( segid "A " and resid 42 and name HD13))
OR { 555}
(( segid "A " and resid 82 and name HG22))
(( segid "B " and resid 13 and name HG23))
OR { 555}
(( segid "A " and resid 82 and name HG23))
(( segid "B " and resid 13 and name HG22))
OR { 555}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 42 and name HD13))
OR { 555}
(( segid "A " and resid 82 and name HG21))
(( segid "B " and resid 13 and name HG21))
OR { 555}
(( segid "A " and resid 82 and name HG21))
(( segid "B " and resid 13 and name HG23))
OR { 555}
(( segid "A " and resid 82 and name HG23))
(( segid "A " and resid 42 and name HD11))
ASSI { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD13))
3.000 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.45866E-02 ppm1 -0.107 ppm2 0.867 CV 1
OR { 565}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD13))
OR { 565}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HD13))
OR { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD12))
OR { 565}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HD12))
OR { 565}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD12))
OR { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 37 and name HD21))
OR { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 37 and name HD22))
OR { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 37 and name HD23))
OR { 565}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 37 and name HD21))
OR { 565}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 42 and name HD11))
OR { 565}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 42 and name HD11))
OR { 565}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 37 and name HD22))
OR { 565}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HD11))
ASSI { 571}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 42 and name HB2 ))
3.200 3.200 2.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.87160E-03 ppm1 -0.107 ppm2 2.116 CV 1
OR { 571}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 5 and name HB2 ))
OR { 571}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 5 and name HB2 ))
OR { 571}
(( segid "A " and resid 82 and name HD11))
(( segid "B " and resid 5 and name HB2 ))
ASSI { 572}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 85 and name HE3 ))
3.500 1.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.25361E-02 ppm1 -0.109 ppm2 2.182 CV 1
OR { 572}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 85 and name HE3 ))
OR { 572}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 85 and name HE1 ))
OR { 572}
(( segid "A " and resid 82 and name HD13))
(( segid "A " and resid 85 and name HE1 ))
OR { 572}
(( segid "A " and resid 82 and name HD13))
(( segid "B " and resid 9 and name HB2 ))
OR { 572}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 85 and name HE3 ))
OR { 572}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 85 and name HE1 ))
OR { 572}
(( segid "A " and resid 82 and name HD12))
(( segid "B " and resid 9 and name HB2 ))
OR { 572}
(( segid "A " and resid 82 and name HD11))
(( segid "B " and resid 9 and name HB2 ))
ASSI { 592}
(( segid "A " and resid 82 and name HD12))
(( segid "A " and resid 79 and name H ))
3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.86876E-03 ppm1 -0.105 ppm2 8.155 CV 1
OR { 592}
(( segid "A " and resid 82 and name HD11))
(( segid "A " and resid 79 and name H ))
OR { 592}
(( segid "A " and resid 82 and name HD11))
(( segid "C " and resid 1903 and name H ))
OR { 592}
(( segid "A " and resid 82 and name HD13))
(( segid "C " and resid 1903 and name H ))
OR { 592}
(( segid "A " and resid 82 and name HD12))
(( segid "C " and resid 1903 and name H ))
ASSI { 627}
(( segid "B " and resid 82 and name HG21))
(( segid "C " and resid 1929 and name H ))
2.900 2.900 3.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.55729E-03 ppm1 0.260 ppm2 8.584 CV 1
OR { 627}
(( segid "B " and resid 82 and name HG23))
(( segid "C " and resid 1929 and name H ))
OR { 627}
(( segid "B " and resid 82 and name HG22))
(( segid "C " and resid 1929 and name H ))
OR { 627}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 79 and name H ))
ASSI { 638}
(( segid "B " and resid 82 and name HD11))
(( segid "C " and resid 1929 and name H ))
2.700 2.700 3.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.77167E-03 ppm1 -0.168 ppm2 8.575 CV 1
OR { 638}
(( segid "B " and resid 82 and name HD12))
(( segid "C " and resid 1929 and name H ))
OR { 638}
(( segid "B " and resid 82 and name HD13))
(( segid "C " and resid 1929 and name H ))
OR { 638}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 79 and name H ))
ASSI { 640}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 80 and name H ))
3.000 3.000 3.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.43851E-03 ppm1 -0.159 ppm2 8.248 CV 1
OR { 640}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 47 and name H ))
OR { 640}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 80 and name H ))
OR { 640}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 80 and name H ))
OR { 640}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 47 and name H ))
ASSI { 642}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 81 and name H ))
2.800 2.800 3.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.62990E-03 ppm1 -0.161 ppm2 7.623 CV 1
OR { 642}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 81 and name H ))
OR { 642}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 81 and name H ))
OR { 642}
(( segid "B " and resid 82 and name HD11))
(( segid "B " and resid 42 and name H ))
ASSI { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 42 and name HD21))
2.400 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.98257E-02 ppm1 0.255 ppm2 0.673 CV 1
OR { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 9 and name HD23))
OR { 665}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 42 and name HD21))
OR { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 42 and name HD22))
OR { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 9 and name HD21))
OR { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "A " and resid 9 and name HD22))
OR { 665}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 42 and name HD23))
OR { 665}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 42 and name HD22))
OR { 665}
(( segid "B " and resid 82 and name HG21))
(( segid "A " and resid 9 and name HD23))
OR { 665}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 42 and name HD21))
OR { 665}
(( segid "B " and resid 82 and name HG23))
(( segid "A " and resid 9 and name HD23))
ASSI { 668}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1930 and name HG2%)
3.100 1.200 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.19443E-02 ppm1 0.254 ppm2 1.032 CV 1
OR { 668}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1930 and name HG2%)
OR { 668}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1930 and name HG2%)
OR { 668}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 38 and name HD21))
OR { 668}
(( segid "B " and resid 82 and name HG22))
(( segid "B " and resid 38 and name HD21))
OR { 668}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 38 and name HD23))
OR { 668}
(( segid "B " and resid 82 and name HG21))
(( segid "B " and resid 38 and name HD22))
OR { 668}
(( segid "B " and resid 82 and name HG23))
(( segid "B " and resid 38 and name HD21))
ASSI { 669}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1930 and name HG1%)
3.900 1.900 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.73438E-03 ppm1 0.254 ppm2 0.945 CV 1
OR { 669}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1930 and name HG1%)
OR { 669}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1930 and name HG1%)
OR { 669}
(( segid "B " and resid 82 and name HG21))
( segid "C " and resid 1921 and name HD1%)
OR { 669}
(( segid "B " and resid 82 and name HG23))
( segid "C " and resid 1921 and name HD1%)
OR { 669}
(( segid "B " and resid 82 and name HG22))
( segid "C " and resid 1921 and name HD1%)
ASSI { 675}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1921 and name HD2%)
2.500 2.500 3.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.26466E-02 ppm1 -0.163 ppm2 0.899 CV 1
OR { 675}
(( segid "B " and resid 82 and name HD13))
( segid "C " and resid 1921 and name HD2%)
OR { 675}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 58 and name HD11))
OR { 675}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1921 and name HD2%)
OR { 675}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 58 and name HD12))
OR { 675}
(( segid "B " and resid 82 and name HD12))
(( segid "B " and resid 58 and name HD13))
OR { 675}
(( segid "B " and resid 82 and name HD13))
(( segid "B " and resid 58 and name HD11))
OR { 675}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1929 and name HG1%)
OR { 675}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1929 and name HG1%)
ASSI { 680}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1921 and name HD1%)
3.000 1.200 1.200 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20198E-02 ppm1 -0.164 ppm2 0.928 CV 1
OR { 680}
(( segid "B " and resid 82 and name HD11))
( segid "C " and resid 1921 and name HD1%)
OR { 680}
(( segid "B " and resid 82 and name HD12))
( segid "C " and resid 1926 and name HD1%)
ASSI { 696}
(( segid "A " and resid 81 and name HB3 ))
( segid "C " and resid 1903 and name HB% )
3.800 1.800 1.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.49553E-03 ppm1 2.793 ppm2 1.595 CV 1
OR { 696}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 82 and name HB ))
ASSI { 735}
(( segid "A " and resid 80 and name HA ))
(( segid "A " and resid 81 and name HB2 ))
4.200 2.200 1.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 3.957 ppm2 3.296 CV 1
OR { 735}
(( segid "A " and resid 80 and name HA ))
(( segid "B " and resid 79 and name HA ))
ASSI { 736}
(( segid "A " and resid 80 and name HB2 ))
(( segid "A " and resid 81 and name HB2 ))
3.900 1.900 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.94812E-03 ppm1 4.263 ppm2 3.300 CV 1
OR { 736}
(( segid "A " and resid 80 and name HB2 ))
(( segid "B " and resid 79 and name HA ))
ASSI { 739}
(( segid "A " and resid 80 and name HB3 ))
(( segid "A " and resid 81 and name HB2 ))
4.000 2.000 2.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 3.435 ppm2 3.292 CV 1
OR { 739}
(( segid "A " and resid 80 and name HB3 ))
(( segid "B " and resid 79 and name HA ))
OR { 739}
(( segid "A " and resid 80 and name HB3 ))
(( segid "A " and resid 76 and name HG ))
ASSI { 746}
(( segid "B " and resid 80 and name HB2 ))
(( segid "B " and resid 80 and name HB3 ))
2.300 0.700 0.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 4.305 ppm2 3.418 CV 1
OR { 746}
(( segid "B " and resid 80 and name HB2 ))
(( segid "B " and resid 77 and name HA ))
ASSI { 758}
(( segid "B " and resid 80 and name HB3 ))
( segid "C " and resid 1914 and name HG1%)
4.200 2.200 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.85229E-03 ppm1 3.420 ppm2 1.165 CV 1
OR { 758}
(( segid "A " and resid 80 and name HB3 ))
(( segid "B " and resid 77 and name HG12))
OR { 758}
(( segid "A " and resid 80 and name HB3 ))
(( segid "B " and resid 77 and name HG11))
OR { 758}
(( segid "A " and resid 80 and name HB3 ))
(( segid "B " and resid 77 and name HG13))
ASSI { 789}
(( segid "A " and resid 79 and name HB3 ))
(( segid "B " and resid 12 and name HE2 ))
3.400 1.400 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.57334E-03 ppm1 1.037 ppm2 1.889 CV 1
OR { 789}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE1 ))
OR { 789}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE3 ))
OR { 789}
(( segid "A " and resid 79 and name HB3 ))
(( segid "B " and resid 12 and name HE1 ))
OR { 789}
(( segid "A " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE2 ))
ASSI { 802}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HE1 ))
2.900 1.100 1.100 peak 802 spectrum 1 weight 0.10000E+01 volume 0.50634E-02 ppm1 0.565 ppm2 1.890 CV 1
OR { 802}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HE1 ))
OR { 802}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HE3 ))
OR { 802}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HE1 ))
OR { 802}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HE3 ))
OR { 802}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HE3 ))
OR { 802}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HE2 ))
OR { 802}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HE2 ))
OR { 802}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HE2 ))
OR { 802}
(( segid "A " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HE2 ))
ASSI { 811}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD21))
2.300 0.600 0.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.86553E-02 ppm1 0.440 ppm2 0.693 CV 1
OR { 811}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 42 and name HD22))
OR { 811}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 42 and name HD22))
OR { 811}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD23))
OR { 811}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 42 and name HD22))
OR { 811}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 42 and name HD23))
OR { 811}
(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 9 and name HD22))
OR { 811}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 42 and name HD23))
OR { 811}
(( segid "A " and resid 79 and name HD21))
(( segid "B " and resid 9 and name HD21))
OR { 811}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 42 and name HD21))
OR { 811}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 42 and name HD23))
OR { 811}
(( segid "A " and resid 79 and name HD21))
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(( segid "A " and resid 79 and name HD21))
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ASSI { 812}
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OR { 812}
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OR { 812}
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(( segid "A " and resid 42 and name HD13))
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(( segid "A " and resid 42 and name HD13))
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(( segid "A " and resid 79 and name HD23))
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(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 42 and name HD12))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 42 and name HD12))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 42 and name HD11))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 42 and name HD11))
ASSI { 814}
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( segid "C " and resid 1900 and name HD1%)
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(( segid "A " and resid 11 and name HG21))
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(( segid "A " and resid 79 and name HD21))
( segid "C " and resid 1900 and name HD1%)
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(( segid "A " and resid 11 and name HG22))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 11 and name HG21))
ASSI { 820}
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OR { 820}
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OR { 820}
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OR { 820}
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(( segid "A " and resid 12 and name HE1 ))
OR { 820}
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(( segid "B " and resid 12 and name HE1 ))
OR { 820}
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(( segid "A " and resid 12 and name HE3 ))
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(( segid "A " and resid 12 and name HE2 ))
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(( segid "A " and resid 12 and name HE2 ))
ASSI { 821}
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(( segid "B " and resid 9 and name HB2 ))
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OR { 821}
(( segid "A " and resid 79 and name HD21))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 41 and name HB3 ))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 41 and name HB3 ))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 85 and name HE3 ))
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(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 85 and name HE3 ))
ASSI { 823}
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(( segid "A " and resid 12 and name HG3 ))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 12 and name HG3 ))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 12 and name HG3 ))
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(( segid "B " and resid 12 and name HG3 ))
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(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 11 and name HB ))
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(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 11 and name HB ))
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(( segid "A " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HG3 ))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 11 and name HB ))
ASSI { 828}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 12 and name HA ))
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OR { 828}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 12 and name HA ))
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(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 12 and name HA ))
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(( segid "A " and resid 79 and name HD22))
(( segid "B " and resid 6 and name HA ))
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(( segid "A " and resid 79 and name HD21))
(( segid "B " and resid 6 and name HA ))
ASSI { 829}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 78 and name HA ))
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OR { 829}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 78 and name HA ))
OR { 829}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 78 and name HA ))
OR { 829}
(( segid "A " and resid 79 and name HD22))
(( segid "A " and resid 80 and name HB2 ))
OR { 829}
(( segid "A " and resid 79 and name HD23))
(( segid "A " and resid 80 and name HB2 ))
OR { 829}
(( segid "A " and resid 79 and name HD21))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 838}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 13 and name H ))
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(( segid "A " and resid 13 and name H ))
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(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 13 and name H ))
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(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 11 and name H ))
OR { 838}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 11 and name H ))
OR { 838}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 11 and name H ))
OR { 838}
(( segid "A " and resid 79 and name HD11))
(( segid "A " and resid 76 and name H ))
OR { 838}
(( segid "A " and resid 79 and name HD12))
(( segid "A " and resid 86 and name H ))
OR { 838}
(( segid "A " and resid 79 and name HD13))
(( segid "A " and resid 86 and name H ))
ASSI { 860}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 12 and name HE3 ))
3.800 1.800 1.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.76018E-03 ppm1 1.428 ppm2 1.883 CV 1
OR { 860}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 12 and name HE1 ))
OR { 860}
(( segid "B " and resid 79 and name HB2 ))
(( segid "A " and resid 12 and name HE2 ))
OR { 860}
(( segid "B " and resid 79 and name HB2 ))
(( segid "B " and resid 12 and name HE2 ))
OR { 860}
(( segid "B " and resid 79 and name HB2 ))
(( segid "A " and resid 12 and name HE3 ))
ASSI { 867}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE2 ))
3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.81523E-03 ppm1 1.004 ppm2 1.873 CV 1
OR { 867}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 12 and name HE3 ))
OR { 867}
(( segid "B " and resid 79 and name HB3 ))
(( segid "B " and resid 12 and name HE1 ))
OR { 867}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE3 ))
OR { 867}
(( segid "B " and resid 79 and name HB3 ))
(( segid "A " and resid 12 and name HE1 ))
ASSI { 898}
(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 75 and name HA ))
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OR { 898}
(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 5 and name HA ))
OR { 898}
(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 5 and name HA ))
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(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 5 and name HA ))
ASSI { 906}
(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HE3 ))
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OR { 906}
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(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD11))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD11))
(( segid "A " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD13))
(( segid "A " and resid 12 and name HE2 ))
ASSI { 912}
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(( segid "A " and resid 9 and name HD21))
3.700 1.700 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.20081E-02 ppm1 0.473 ppm2 0.682 CV 1
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(( segid "B " and resid 79 and name HD12))
(( segid "B " and resid 42 and name HD23))
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(( segid "B " and resid 79 and name HD13))
(( segid "B " and resid 42 and name HD22))
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(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 9 and name HD23))
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(( segid "B " and resid 79 and name HD12))
(( segid "A " and resid 9 and name HD22))
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(( segid "A " and resid 9 and name HD21))
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(( segid "B " and resid 42 and name HD22))
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(( segid "B " and resid 79 and name HD11))
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(( segid "B " and resid 79 and name HD13))
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(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 9 and name HD23))
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(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HD22))
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(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HD23))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 42 and name HD22))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 42 and name HD23))
ASSI { 923}
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(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD23))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD23))
(( segid "A " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 12 and name HE2 ))
ASSI { 926}
(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 9 and name HB2 ))
4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.70426E-03 ppm1 0.462 ppm2 2.190 CV 1
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(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 9 and name HB2 ))
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(( segid "B " and resid 79 and name HD21))
(( segid "A " and resid 12 and name HB3 ))
ASSI { 932}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 80 and name HB3 ))
3.800 1.800 1.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.83583E-03 ppm1 0.463 ppm2 3.408 CV 1
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(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 77 and name HA ))
OR { 932}
(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 45 and name HB2 ))
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(( segid "B " and resid 79 and name HD22))
(( segid "B " and resid 45 and name HB2 ))
ASSI { 933}
(( segid "B " and resid 79 and name HD22))
(( segid "A " and resid 5 and name HA ))
3.100 1.200 1.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 0.462 ppm2 4.298 CV 1
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(( segid "B " and resid 79 and name HD21))
(( segid "B " and resid 80 and name HB2 ))
ASSI { 986}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1912 and name H ))
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(( segid "A " and resid 77 and name HG13))
(( segid "B " and resid 81 and name H ))
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(( segid "A " and resid 77 and name HG11))
(( segid "B " and resid 81 and name H ))
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(( segid "A " and resid 77 and name HG12))
(( segid "B " and resid 81 and name H ))
ASSI { 989}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 75 and name H ))
3.900 1.900 1.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.73958E-03 ppm1 1.153 ppm2 8.917 CV 1
OR { 989}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1908 and name H ))
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(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1908 and name H ))
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(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 75 and name H ))
ASSI { 998}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 73 and name HE22))
4.100 2.100 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.10933E-02 ppm1 0.961 ppm2 6.796 CV 1
OR { 998}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 73 and name HE22))
OR { 998}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 73 and name HE22))
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(( segid "A " and resid 77 and name HG13))
(( segid "B " and resid 73 and name HE22))
ASSI { 999}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1911 and name HA ))
1.900 0.500 0.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.12243E-01 ppm1 0.961 ppm2 4.251 CV 1
OR { 999}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1911 and name HA ))
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(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1911 and name HA ))
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(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 1000}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 78 and name HA ))
3.000 1.100 1.100 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.40794E-02 ppm1 1.157 ppm2 4.258 CV 1
OR { 1000}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1911 and name HA ))
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(( segid "A " and resid 77 and name HG23))
(( segid "C " and resid 1911 and name HA ))
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(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 78 and name HA ))
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(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 78 and name HA ))
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(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1911 and name HA ))
ASSI { 1002}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 80 and name HB2 ))
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OR { 1002}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1911 and name HA ))
ASSI { 1006}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 76 and name HG ))
3.600 1.700 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 0.961 ppm2 3.292 CV 1
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(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 76 and name HG ))
OR { 1006}
(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 76 and name HG ))
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(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 81 and name HB2 ))
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(( segid "A " and resid 77 and name HG12))
(( segid "A " and resid 81 and name HB2 ))
ASSI { 1015}
(( segid "A " and resid 77 and name HA ))
(( segid "C " and resid 1910 and name HB3 ))
4.000 2.000 2.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.71834E-03 ppm1 3.448 ppm2 2.557 CV 1
OR { 1015}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 76 and name HB3 ))
ASSI { 1025}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HB3 ))
3.000 1.100 1.100 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.42876E-02 ppm1 0.961 ppm2 2.558 CV 1
OR { 1025}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HB3 ))
OR { 1025}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HB3 ))
OR { 1025}
(( segid "A " and resid 77 and name HG13))
(( segid "A " and resid 76 and name HB3 ))
OR { 1025}
(( segid "A " and resid 77 and name HG11))
(( segid "A " and resid 76 and name HB3 ))
OR { 1025}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG3 ))
OR { 1025}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HG3 ))
ASSI { 1029}
(( segid "A " and resid 77 and name HG13))
(( segid "C " and resid 1914 and name HB ))
2.900 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.32751E-02 ppm1 0.961 ppm2 2.160 CV 1
OR { 1029}
(( segid "A " and resid 77 and name HG12))
(( segid "C " and resid 1914 and name HB ))
OR { 1029}
(( segid "A " and resid 77 and name HG11))
(( segid "C " and resid 1914 and name HB ))
OR { 1029}
(( segid "A " and resid 77 and name HG13))
(( segid "B " and resid 84 and name HE3 ))
OR { 1029}
(( segid "A " and resid 77 and name HG11))
(( segid "B " and resid 84 and name HE3 ))
OR { 1029}
(( segid "A " and resid 77 and name HG12))
(( segid "B " and resid 84 and name HE3 ))
OR { 1029}
(( segid "A " and resid 77 and name HG11))
(( segid "B " and resid 84 and name HE1 ))
ASSI { 1036}
(( segid "A " and resid 77 and name HG23))
(( segid "A " and resid 76 and name HB3 ))
3.500 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.36286E-02 ppm1 1.157 ppm2 2.557 CV 1
OR { 1036}
(( segid "A " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HB3 ))
OR { 1036}
(( segid "A " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HB3 ))
OR { 1036}
(( segid "A " and resid 77 and name HG21))
(( segid "A " and resid 76 and name HB3 ))
OR { 1036}
(( segid "A " and resid 77 and name HG22))
(( segid "A " and resid 76 and name HB3 ))
ASSI { 1048}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 73 and name HE22))
2.900 2.900 3.100 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.98192E-03 ppm1 1.164 ppm2 6.786 CV 1
OR { 1048}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 73 and name HE22))
OR { 1048}
(( segid "B " and resid 77 and name HG13))
(( segid "A " and resid 73 and name HE22))
OR { 1048}
(( segid "B " and resid 77 and name HG12))
(( segid "A " and resid 73 and name HE22))
OR { 1048}
(( segid "B " and resid 77 and name HG11))
(( segid "A " and resid 73 and name HE22))
ASSI { 1056}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 79 and name HA ))
4.200 2.200 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 3.421 ppm2 3.274 CV 1
OR { 1056}
(( segid "B " and resid 77 and name HA ))
(( segid "A " and resid 76 and name HG ))
ASSI { 1060}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 73 and name HA ))
3.000 3.000 3.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.12347E-02 ppm1 1.160 ppm2 3.969 CV 1
OR { 1060}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 73 and name HA ))
OR { 1060}
(( segid "B " and resid 77 and name HG12))
(( segid "A " and resid 80 and name HA ))
OR { 1060}
(( segid "B " and resid 77 and name HG11))
(( segid "A " and resid 80 and name HA ))
OR { 1060}
(( segid "B " and resid 77 and name HG13))
(( segid "A " and resid 80 and name HA ))
ASSI { 1062}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 62 and name HA ))
3.200 1.300 1.300 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.36655E-02 ppm1 1.161 ppm2 4.256 CV 1
OR { 1062}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 62 and name HA ))
OR { 1062}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 62 and name HA ))
OR { 1062}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1910 and name HA ))
OR { 1062}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1910 and name HA ))
OR { 1062}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1910 and name HA ))
OR { 1062}
(( segid "B " and resid 77 and name HG12))
(( segid "A " and resid 80 and name HB2 ))
OR { 1062}
(( segid "B " and resid 77 and name HG11))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 1063}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 78 and name HA ))
4.000 2.000 2.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.77187E-03 ppm1 1.159 ppm2 4.325 CV 1
OR { 1063}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 78 and name HA ))
OR { 1063}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 78 and name HA ))
OR { 1063}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 75 and name HA ))
OR { 1063}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 75 and name HA ))
OR { 1063}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 75 and name HA ))
ASSI { 1065}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 79 and name HA ))
4.200 2.200 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 1.163 ppm2 3.274 CV 1
OR { 1065}
(( segid "B " and resid 77 and name HG11))
(( segid "B " and resid 79 and name HA ))
OR { 1065}
(( segid "B " and resid 77 and name HG13))
(( segid "B " and resid 79 and name HA ))
OR { 1065}
(( segid "B " and resid 77 and name HG13))
(( segid "A " and resid 76 and name HG ))
ASSI { 1069}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HA ))
3.200 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.30260E-02 ppm1 1.019 ppm2 4.273 CV 1
OR { 1069}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HA ))
OR { 1069}
(( segid "B " and resid 77 and name HG21))
(( segid "A " and resid 80 and name HB2 ))
OR { 1069}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 62 and name HA ))
OR { 1069}
(( segid "B " and resid 77 and name HG23))
(( segid "A " and resid 80 and name HB2 ))
ASSI { 1070}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 78 and name HB3 ))
4.200 2.200 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.12505E-02 ppm1 1.025 ppm2 3.256 CV 1
OR { 1070}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 78 and name HB3 ))
OR { 1070}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 78 and name HB3 ))
OR { 1070}
(( segid "B " and resid 77 and name HG21))
(( segid "A " and resid 76 and name HG ))
OR { 1070}
(( segid "B " and resid 77 and name HG23))
(( segid "A " and resid 76 and name HG ))
ASSI { 1071}
(( segid "B " and resid 77 and name HG13))
(( segid "C " and resid 1913 and name HG3 ))
2.700 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.57334E-02 ppm1 1.161 ppm2 2.563 CV 1
OR { 1071}
(( segid "B " and resid 77 and name HG11))
(( segid "C " and resid 1913 and name HG3 ))
OR { 1071}
(( segid "B " and resid 77 and name HG12))
(( segid "C " and resid 1913 and name HG3 ))
OR { 1071}
(( segid "B " and resid 77 and name HG12))
(( segid "B " and resid 81 and name HB3 ))
ASSI { 1076}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1914 and name HB ))
2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17781E-02 ppm1 1.020 ppm2 2.161 CV 1
OR { 1076}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1914 and name HB ))
OR { 1076}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1914 and name HB ))
OR { 1076}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 84 and name HE3 ))
OR { 1076}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 84 and name HE3 ))
OR { 1076}
(( segid "B " and resid 77 and name HG21))
(( segid "B " and resid 84 and name HE1 ))
OR { 1076}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 84 and name HE3 ))
ASSI { 1078}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1913 and name HG3 ))
2.100 0.500 0.500 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.44329E-02 ppm1 1.020 ppm2 2.563 CV 1
OR { 1078}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1913 and name HG3 ))
OR { 1078}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1913 and name HG3 ))
OR { 1078}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 81 and name HB3 ))
ASSI { 1086}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name HG13))
1.800 0.400 0.400 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.30390E-01 ppm1 1.019 ppm2 1.171 CV 1
OR { 1086}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name HG12))
OR { 1086}
(( segid "B " and resid 77 and name HG22))
(( segid "B " and resid 77 and name HG11))
OR { 1086}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name HG13))
OR { 1086}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name HG12))
OR { 1086}
(( segid "B " and resid 77 and name HG23))
(( segid "B " and resid 77 and name HG11))
OR { 1086}
(( segid "B " and resid 77 and name HG23))
( segid "C " and resid 1917 and name HD1%)
OR { 1086}
(( segid "B " and resid 77 and name HG21))
( segid "C " and resid 1914 and name HG1%)
OR { 1086}
(( segid "B " and resid 77 and name HG22))
( segid "C " and resid 1917 and name HD1%)
OR { 1086}
(( segid "B " and resid 77 and name HG23))
( segid "C " and resid 1914 and name HG1%)
OR { 1086}
(( segid "B " and resid 77 and name HG22))
( segid "C " and resid 1914 and name HG1%)
OR { 1086}
(( segid "B " and resid 77 and name HG21))
( segid "C " and resid 1917 and name HD1%)
ASSI { 1088}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG2 ))
2.400 0.700 0.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.47816E-02 ppm1 1.023 ppm2 1.981 CV 1
OR { 1088}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1917 and name HB3 ))
OR { 1088}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1917 and name HB3 ))
OR { 1088}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1917 and name HB3 ))
OR { 1088}
(( segid "B " and resid 77 and name HG21))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1088}
(( segid "B " and resid 77 and name HG22))
(( segid "C " and resid 1910 and name HG3 ))
OR { 1088}
(( segid "B " and resid 77 and name HG23))
(( segid "C " and resid 1910 and name HG3 ))
ASSI { 1090}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 78 and name H ))
3.600 1.600 1.600 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.94508E-03 ppm1 3.569 ppm2 8.254 CV 1
OR { 1090}
(( segid "A " and resid 76 and name HA ))
(( segid "B " and resid 80 and name H ))
ASSI { 1096}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 73 and name HA ))
4.600 2.700 1.400 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.55642E-03 ppm1 3.572 ppm2 3.954 CV 1
OR { 1096}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 80 and name HA ))
OR { 1096}
(( segid "A " and resid 76 and name HA ))
(( segid "B " and resid 83 and name HA ))
ASSI { 1101}
(( segid "A " and resid 76 and name HB2 ))
(( segid "C " and resid 1910 and name HG3 ))
4.200 2.200 1.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 3.163 ppm2 1.979 CV 1
OR { 1101}
(( segid "A " and resid 76 and name HB2 ))
(( segid "C " and resid 1910 and name HG2 ))
OR { 1101}
(( segid "A " and resid 76 and name HB2 ))
(( segid "C " and resid 1917 and name HB3 ))
ASSI { 1104}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 12 and name HE3 ))
3.300 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 3.572 ppm2 1.883 CV 1
OR { 1104}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 12 and name HE2 ))
OR { 1104}
(( segid "A " and resid 76 and name HA ))
(( segid "A " and resid 12 and name HE1 ))
OR { 1104}
(( segid "A " and resid 76 and name HA ))
(( segid "B " and resid 12 and name HE2 ))
ASSI { 1118}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 79 and name HA ))
4.400 2.400 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.10053E-02 ppm1 3.565 ppm2 3.294 CV 1
OR { 1118}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 75 and name HB2 ))
ASSI { 1125}
(( segid "B " and resid 76 and name HB2 ))
(( segid "A " and resid 80 and name HB3 ))
4.100 2.100 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.62558E-03 ppm1 3.113 ppm2 3.423 CV 1
OR { 1125}
(( segid "B " and resid 76 and name HB2 ))
(( segid "B " and resid 77 and name HA ))
ASSI { 1127}
(( segid "B " and resid 76 and name HB3 ))
(( segid "A " and resid 80 and name HB3 ))
2.300 0.700 0.700 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.98063E-03 ppm1 2.593 ppm2 3.424 CV 1
OR { 1127}
(( segid "B " and resid 76 and name HB3 ))
(( segid "A " and resid 77 and name HA ))
ASSI { 1128}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 12 and name HE3 ))
3.700 1.700 1.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.22153E-02 ppm1 3.561 ppm2 1.881 CV 1
OR { 1128}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 12 and name HE1 ))
OR { 1128}
(( segid "B " and resid 76 and name HA ))
(( segid "B " and resid 12 and name HE2 ))
OR { 1128}
(( segid "B " and resid 76 and name HA ))
(( segid "A " and resid 12 and name HE2 ))
OR { 1128}
(( segid "B " and resid 76 and name HA ))
(( segid "A " and resid 12 and name HE3 ))
ASSI { 1172}
(( segid "B " and resid 74 and name HB3 ))
(( segid "B " and resid 74 and name HG2 ))
3.200 1.300 1.300 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.67498E-03 ppm1 2.130 ppm2 2.921 CV 1
OR { 1172}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 74 and name HG3 ))
ASSI { 1173}
(( segid "B " and resid 74 and name HB3 ))
(( segid "B " and resid 74 and name HG3 ))
2.800 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.19751E-02 ppm1 2.129 ppm2 2.607 CV 1
OR { 1173}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 74 and name HG2 ))
ASSI { 1175}
(( segid "B " and resid 74 and name HG2 ))
(( segid "B " and resid 74 and name HB3 ))
3.100 1.200 1.200 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.99080E-03 ppm1 2.608 ppm2 2.128 CV 1
OR { 1175}
(( segid "B " and resid 74 and name HG3 ))
(( segid "B " and resid 74 and name HB3 ))
OR { 1175}
(( segid "A " and resid 74 and name HG3 ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 1190}
(( segid "B " and resid 74 and name HB3 ))
(( segid "B " and resid 70 and name HG12))
3.300 1.400 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.16599E-02 ppm1 2.126 ppm2 1.193 CV 1
OR { 1190}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 70 and name HG13))
OR { 1190}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 70 and name HG11))
OR { 1190}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 70 and name HG12))
ASSI { 1194}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 78 and name H ))
4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.66739E-03 ppm1 4.324 ppm2 8.254 CV 1
OR { 1194}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 64 and name H ))
ASSI { 1198}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 73 and name H ))
2.700 0.900 0.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 3.947 ppm2 8.270 CV 1
OR { 1198}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name H ))
ASSI { 1199}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 74 and name H ))
3.400 1.400 1.400 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.94160E-03 ppm1 3.950 ppm2 8.906 CV 1
OR { 1199}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 75 and name H ))
ASSI { 1202}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 73 and name H ))
3.200 1.300 1.300 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.16467E-02 ppm1 2.429 ppm2 8.276 CV 1
OR { 1202}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 73 and name H ))
ASSI { 1204}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 74 and name H ))
4.000 2.000 2.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.77490E-03 ppm1 2.412 ppm2 8.895 CV 1
OR { 1204}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 75 and name H ))
ASSI { 1205}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 73 and name HE21))
2.900 1.000 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 2.419 ppm2 7.643 CV 1
OR { 1205}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 73 and name HE21))
ASSI { 1206}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 73 and name HE22))
3.900 1.900 1.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 2.424 ppm2 6.788 CV 1
OR { 1206}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 73 and name HE22))
ASSI { 1208}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 77 and name HG11))
3.400 1.500 1.500 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.15995E-02 ppm1 2.424 ppm2 1.163 CV 1
OR { 1208}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 77 and name HG13))
OR { 1208}
(( segid "B " and resid 73 and name HG2 ))
(( segid "B " and resid 77 and name HG12))
OR { 1208}
(( segid "A " and resid 73 and name HG2 ))
( segid "C " and resid 1914 and name HG1%)
OR { 1208}
(( segid "A " and resid 73 and name HG2 ))
(( segid "A " and resid 77 and name HG23))
ASSI { 1210}
(( segid "A " and resid 73 and name HA ))
( segid "C " and resid 1914 and name HG1%)
4.000 2.000 2.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.80506E-03 ppm1 3.953 ppm2 1.172 CV 1
OR { 1210}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 77 and name HG23))
OR { 1210}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 77 and name HG11))
OR { 1210}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 77 and name HG12))
OR { 1210}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 77 and name HG13))
OR { 1210}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 77 and name HG22))
OR { 1210}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 77 and name HG21))
ASSI { 1211}
(( segid "A " and resid 73 and name HA ))
( segid "C " and resid 1914 and name HG2%)
4.100 2.100 1.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.86944E-03 ppm1 3.953 ppm2 0.984 CV 1
OR { 1211}
(( segid "B " and resid 73 and name HA ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 1212}
(( segid "B " and resid 73 and name HA ))
(( segid "A " and resid 84 and name HG2 ))
3.400 1.500 1.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.14026E-02 ppm1 3.949 ppm2 3.146 CV 1
OR { 1212}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 76 and name HB2 ))
OR { 1212}
(( segid "A " and resid 73 and name HA ))
(( segid "B " and resid 84 and name HG2 ))
ASSI { 1214}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 73 and name HG2 ))
2.500 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.43654E-02 ppm1 3.952 ppm2 2.405 CV 1
OR { 1214}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name HG2 ))
ASSI { 1215}
(( segid "A " and resid 73 and name HA ))
(( segid "B " and resid 84 and name HE3 ))
3.800 1.800 1.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 3.943 ppm2 2.143 CV 1
OR { 1215}
(( segid "A " and resid 73 and name HA ))
(( segid "B " and resid 84 and name HE1 ))
OR { 1215}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 74 and name HB3 ))
OR { 1215}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
OR { 1215}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 1216}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name HB3 ))
2.900 1.000 1.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 3.950 ppm2 2.262 CV 1
OR { 1216}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 73 and name HB3 ))
ASSI { 1229}
(( segid "A " and resid 72 and name HB3 ))
(( segid "A " and resid 72 and name HZ ))
4.700 2.800 1.300 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.69796E-03 ppm1 2.512 ppm2 6.907 CV 1
OR { 1229}
(( segid "A " and resid 72 and name HB3 ))
( segid "A " and resid 75 and name HD% )
ASSI { 1295}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 64 and name H ))
4.800 2.900 1.200 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.52630E-03 ppm1 0.872 ppm2 8.263 CV 1
OR { 1295}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 64 and name H ))
OR { 1295}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 64 and name H ))
OR { 1295}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 73 and name H ))
ASSI { 1299}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 62 and name HA ))
4.300 2.300 1.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 0.873 ppm2 4.326 CV 1
OR { 1299}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 62 and name HA ))
OR { 1299}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 62 and name HA ))
OR { 1299}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 74 and name HA ))
ASSI { 1307}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 59 and name HG2 ))
2.800 2.800 3.200 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.14382E-02 ppm1 0.875 ppm2 2.535 CV 1
OR { 1307}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 59 and name HG2 ))
OR { 1307}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 59 and name HG2 ))
OR { 1307}
(( segid "A " and resid 70 and name HG21))
(( segid "A " and resid 72 and name HB3 ))
OR { 1307}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 72 and name HB3 ))
OR { 1307}
(( segid "A " and resid 70 and name HG22))
(( segid "A " and resid 72 and name HB3 ))
OR { 1307}
(( segid "A " and resid 70 and name HG23))
(( segid "A " and resid 76 and name HB3 ))
ASSI { 1345}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 34 and name HA ))
4.100 2.100 1.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.93423E-03 ppm1 0.917 ppm2 4.004 CV 1
OR { 1345}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 74 and name HA ))
OR { 1345}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 34 and name HA ))
OR { 1345}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 74 and name HA ))
ASSI { 1348}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 63 and name HB2 ))
3.200 1.200 1.200 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 0.915 ppm2 2.916 CV 1
OR { 1348}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 63 and name HB2 ))
OR { 1348}
(( segid "B " and resid 70 and name HG23))
(( segid "B " and resid 63 and name HB2 ))
OR { 1348}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 74 and name HG2 ))
ASSI { 1353}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 74 and name HG2 ))
3.600 1.600 1.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.19860E-02 ppm1 1.197 ppm2 2.930 CV 1
OR { 1353}
(( segid "B " and resid 70 and name HG11))
(( segid "B " and resid 74 and name HG2 ))
OR { 1353}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 74 and name HG2 ))
OR { 1353}
(( segid "B " and resid 70 and name HG12))
(( segid "B " and resid 63 and name HB2 ))
OR { 1353}
(( segid "B " and resid 70 and name HG13))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1362}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 74 and name HB3 ))
2.800 1.000 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.34637E-02 ppm1 0.915 ppm2 2.136 CV 1
OR { 1362}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 74 and name HB3 ))
OR { 1362}
(( segid "B " and resid 70 and name HG21))
(( segid "B " and resid 29 and name HB2 ))
OR { 1362}
(( segid "B " and resid 70 and name HG22))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 1403}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 67 and name HA ))
3.900 1.900 1.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.68863E-03 ppm1 3.200 ppm2 4.818 CV 1
OR { 1403}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 69 and name HA ))
OR { 1403}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 30 and name HA ))
ASSI { 1404}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 69 and name HA ))
4.200 2.200 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.79724E-03 ppm1 3.123 ppm2 4.823 CV 1
OR { 1404}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 67 and name HA ))
ASSI { 1406}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 69 and name HA ))
4.400 2.500 1.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.49314E-03 ppm1 4.147 ppm2 4.811 CV 1
OR { 1406}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 67 and name HA ))
ASSI { 1437}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 67 and name HA ))
2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.41184E-02 ppm1 2.425 ppm2 4.816 CV 1
OR { 1437}
(( segid "B " and resid 67 and name HB3 ))
(( segid "B " and resid 67 and name HA ))
ASSI { 1438}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 67 and name HB2 ))
2.100 0.500 0.500 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.65744E-02 ppm1 2.426 ppm2 3.185 CV 1
OR { 1438}
(( segid "B " and resid 67 and name HB3 ))
(( segid "B " and resid 67 and name HB2 ))
ASSI { 1439}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 67 and name HB2 ))
2.500 0.800 0.800 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.90085E-02 ppm1 4.819 ppm2 3.185 CV 1
OR { 1439}
(( segid "B " and resid 67 and name HA ))
(( segid "B " and resid 67 and name HB2 ))
ASSI { 1457}
(( segid "B " and resid 66 and name HB3 ))
(( segid "B " and resid 66 and name HA ))
2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.29588E-02 ppm1 2.052 ppm2 4.159 CV 1
OR { 1457}
(( segid "A " and resid 66 and name HB3 ))
(( segid "A " and resid 66 and name HA ))
OR { 1457}
(( segid "A " and resid 66 and name HB2 ))
(( segid "A " and resid 66 and name HA ))
OR { 1457}
(( segid "B " and resid 66 and name HB2 ))
(( segid "B " and resid 66 and name HA ))
ASSI { 1470}
(( segid "B " and resid 66 and name HG2 ))
(( segid "B " and resid 66 and name HA ))
2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.38301E-02 ppm1 1.629 ppm2 4.157 CV 1
OR { 1470}
(( segid "B " and resid 66 and name HG3 ))
(( segid "B " and resid 66 and name HA ))
OR { 1470}
(( segid "A " and resid 66 and name HG3 ))
(( segid "A " and resid 66 and name HA ))
OR { 1470}
(( segid "A " and resid 66 and name HG2 ))
(( segid "A " and resid 66 and name HA ))
ASSI { 1504}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 63 and name H ))
4.400 2.400 1.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.51806E-03 ppm1 4.349 ppm2 7.867 CV 1
OR { 1504}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 65 and name HD21))
ASSI { 1510}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1911 and name HD21))
3.800 1.800 1.800 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.11867E-02 ppm1 4.064 ppm2 7.836 CV 1
OR { 1510}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 65 and name HD21))
ASSI { 1521}
(( segid "A " and resid 64 and name HB2 ))
(( segid "C " and resid 1908 and name HB2 ))
3.700 1.700 1.700 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 4.061 ppm2 2.928 CV 1
OR { 1521}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 74 and name HG3 ))
OR { 1521}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 1525}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 74 and name HG3 ))
3.900 1.900 1.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.10175E-02 ppm1 3.993 ppm2 2.932 CV 1
OR { 1525}
(( segid "A " and resid 64 and name HB3 ))
(( segid "C " and resid 1908 and name HB2 ))
OR { 1525}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 1542}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 74 and name HG3 ))
3.000 3.000 3.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.63814E-03 ppm1 4.117 ppm2 2.615 CV 1
OR { 1542}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 59 and name HG2 ))
ASSI { 1543}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 65 and name HB3 ))
4.400 2.400 1.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.53518E-03 ppm1 4.129 ppm2 2.913 CV 1
OR { 1543}
(( segid "B " and resid 64 and name HB2 ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1583}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 70 and name HG23))
4.200 2.200 1.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.78013E-03 ppm1 2.055 ppm2 0.876 CV 1
OR { 1583}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 70 and name HG21))
OR { 1583}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 70 and name HG22))
OR { 1583}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 58 and name HD13))
OR { 1583}
(( segid "A " and resid 62 and name HG ))
(( segid "A " and resid 58 and name HD12))
ASSI { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 70 and name HG23))
2.300 0.700 0.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.12537E-01 ppm1 0.288 ppm2 0.871 CV 1
OR { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 70 and name HG21))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG23))
OR { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 70 and name HG22))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG21))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 70 and name HG23))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG22))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 70 and name HG21))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 70 and name HG22))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 58 and name HD13))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 58 and name HD12))
OR { 1604}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name HD21))
OR { 1604}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name HD21))
OR { 1604}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name HD22))
OR { 1604}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 58 and name HD11))
OR { 1604}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name HD22))
OR { 1604}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name HD21))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 58 and name HD13))
OR { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 58 and name HD13))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 58 and name HD12))
OR { 1604}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name HD22))
OR { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 58 and name HD12))
OR { 1604}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name HD23))
OR { 1604}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 58 and name HD11))
OR { 1604}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 58 and name HD11))
OR { 1604}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name HD23))
OR { 1604}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 37 and name HD23))
OR { 1604}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name HD23))
ASSI { 1606}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 29 and name HG ))
2.100 0.600 0.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.83105E-02 ppm1 0.288 ppm2 1.192 CV 1
OR { 1606}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HG ))
OR { 1606}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 29 and name HG ))
OR { 1606}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name HG ))
OR { 1606}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 29 and name HG ))
OR { 1606}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HG ))
OR { 1606}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG11))
OR { 1606}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 70 and name HG11))
OR { 1606}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG13))
OR { 1606}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 70 and name HG12))
ASSI { 1609}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 58 and name HG ))
2.600 0.800 0.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.35050E-02 ppm1 0.289 ppm2 1.386 CV 1
OR { 1609}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 58 and name HG ))
OR { 1609}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 58 and name HG ))
OR { 1609}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 34 and name HB3 ))
OR { 1609}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 1610}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name HG ))
3.600 1.600 1.600 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.15275E-02 ppm1 0.286 ppm2 1.650 CV 1
OR { 1610}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name HG ))
OR { 1610}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name HG ))
OR { 1610}
(( segid "A " and resid 62 and name HD23))
( segid "C " and resid 1907 and name HB% )
OR { 1610}
(( segid "A " and resid 62 and name HD21))
( segid "C " and resid 1907 and name HB% )
ASSI { 1611}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 59 and name HE3 ))
3.200 1.300 1.300 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.45236E-02 ppm1 0.288 ppm2 1.887 CV 1
OR { 1611}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 59 and name HE3 ))
OR { 1611}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 59 and name HE3 ))
OR { 1611}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 59 and name HE2 ))
OR { 1611}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 59 and name HE2 ))
OR { 1611}
(( segid "A " and resid 62 and name HD23))
(( segid "A " and resid 59 and name HE2 ))
OR { 1611}
(( segid "A " and resid 62 and name HD21))
(( segid "A " and resid 38 and name HG ))
OR { 1611}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 38 and name HG ))
OR { 1611}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 59 and name HE1 ))
OR { 1611}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 38 and name HB2 ))
OR { 1611}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 38 and name HB2 ))
OR { 1611}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 59 and name HE3 ))
OR { 1611}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 38 and name HB2 ))
ASSI { 1614}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.50050E-02 ppm1 0.290 ppm2 2.167 CV 1
OR { 1614}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name HB2 ))
OR { 1614}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 29 and name HB2 ))
OR { 1614}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 20 and name HB3 ))
OR { 1614}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 20 and name HB3 ))
OR { 1614}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 1615}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 19 and name HB3 ))
2.600 0.900 0.900 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.34940E-02 ppm1 0.287 ppm2 2.347 CV 1
OR { 1615}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 19 and name HB3 ))
OR { 1615}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 19 and name HB3 ))
OR { 1615}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 19 and name HB3 ))
OR { 1615}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 19 and name HB3 ))
ASSI { 1616}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 33 and name HB2 ))
2.900 1.100 1.100 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 0.287 ppm2 2.233 CV 1
OR { 1616}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 33 and name HB2 ))
OR { 1616}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 33 and name HB2 ))
OR { 1616}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 33 and name HB2 ))
OR { 1616}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 33 and name HB2 ))
OR { 1616}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 33 and name HB2 ))
OR { 1616}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 70 and name HB ))
ASSI { 1617}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 33 and name HG3 ))
3.900 1.900 1.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 0.288 ppm2 2.418 CV 1
OR { 1617}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 33 and name HG3 ))
OR { 1617}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 33 and name HG3 ))
OR { 1617}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 33 and name HG3 ))
OR { 1617}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 33 and name HG3 ))
OR { 1617}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 33 and name HG3 ))
ASSI { 1618}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 33 and name HG2 ))
4.400 2.400 1.600 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.13684E-02 ppm1 0.288 ppm2 2.517 CV 1
OR { 1618}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 33 and name HG2 ))
OR { 1618}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 33 and name HG2 ))
OR { 1618}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 33 and name HG2 ))
OR { 1618}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 33 and name HG2 ))
OR { 1618}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 1619}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 19 and name HB2 ))
2.600 0.800 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 0.286 ppm2 2.933 CV 1
OR { 1619}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 19 and name HB2 ))
OR { 1619}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 19 and name HB2 ))
OR { 1619}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 19 and name HB2 ))
OR { 1619}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 19 and name HB2 ))
OR { 1619}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 19 and name HB2 ))
ASSI { 1620}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 20 and name HB2 ))
2.500 2.500 3.500 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.19229E-02 ppm1 0.289 ppm2 3.082 CV 1
OR { 1620}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 20 and name HB2 ))
OR { 1620}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 20 and name HB2 ))
OR { 1620}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 55 and name HB3 ))
OR { 1620}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 55 and name HB3 ))
OR { 1620}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 55 and name HB3 ))
OR { 1620}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 55 and name HB2 ))
OR { 1620}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 55 and name HB2 ))
ASSI { 1623}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name HA ))
2.900 1.000 1.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 0.287 ppm2 3.974 CV 1
OR { 1623}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 34 and name HA ))
OR { 1623}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name HA ))
OR { 1623}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 34 and name HA ))
OR { 1623}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name HA ))
ASSI { 1628}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 19 and name H ))
3.900 1.900 1.900 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.18515E-02 ppm1 0.282 ppm2 6.865 CV 1
OR { 1628}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 19 and name H ))
OR { 1628}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 19 and name H ))
OR { 1628}
(( segid "B " and resid 29 and name HD21))
( segid "B " and resid 19 and name HE% )
OR { 1628}
(( segid "A " and resid 29 and name HD21))
( segid "A " and resid 19 and name HE% )
OR { 1628}
(( segid "B " and resid 29 and name HD22))
( segid "B " and resid 19 and name HE% )
OR { 1628}
(( segid "B " and resid 29 and name HD23))
( segid "B " and resid 19 and name HE% )
ASSI { 1629}
(( segid "A " and resid 62 and name HD23))
( segid "A " and resid 75 and name HD% )
3.900 1.900 1.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 0.289 ppm2 6.905 CV 1
OR { 1629}
(( segid "B " and resid 29 and name HD22))
( segid "B " and resid 75 and name HD% )
OR { 1629}
(( segid "A " and resid 29 and name HD22))
( segid "A " and resid 75 and name HD% )
OR { 1629}
(( segid "A " and resid 62 and name HD22))
( segid "A " and resid 75 and name HD% )
OR { 1629}
(( segid "B " and resid 29 and name HD23))
( segid "B " and resid 75 and name HD% )
OR { 1629}
(( segid "A " and resid 62 and name HD21))
( segid "A " and resid 75 and name HD% )
OR { 1629}
(( segid "A " and resid 29 and name HD23))
( segid "A " and resid 75 and name HD% )
OR { 1629}
(( segid "A " and resid 29 and name HD21))
( segid "A " and resid 75 and name HD% )
ASSI { 1632}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 22 and name H ))
3.800 1.800 1.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.78381E-03 ppm1 0.293 ppm2 7.218 CV 1
OR { 1632}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 22 and name H ))
OR { 1632}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 22 and name H ))
OR { 1632}
(( segid "A " and resid 29 and name HD23))
( segid "A " and resid 55 and name HE% )
OR { 1632}
(( segid "A " and resid 29 and name HD22))
( segid "A " and resid 55 and name HE% )
OR { 1632}
(( segid "A " and resid 29 and name HD21))
( segid "A " and resid 55 and name HE% )
OR { 1632}
(( segid "A " and resid 29 and name HD23))
( segid "A " and resid 55 and name HD% )
OR { 1632}
(( segid "A " and resid 29 and name HD22))
( segid "A " and resid 55 and name HD% )
ASSI { 1636}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 37 and name H ))
3.700 1.700 1.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 0.286 ppm2 7.951 CV 1
OR { 1636}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 37 and name H ))
OR { 1636}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 37 and name H ))
OR { 1636}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 37 and name H ))
OR { 1636}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 37 and name H ))
OR { 1636}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 37 and name H ))
OR { 1636}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 35 and name H ))
ASSI { 1638}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 20 and name H ))
3.100 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.26445E-02 ppm1 0.292 ppm2 8.337 CV 1
OR { 1638}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 20 and name H ))
OR { 1638}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 20 and name H ))
OR { 1638}
(( segid "A " and resid 62 and name HD22))
(( segid "A " and resid 61 and name H ))
ASSI { 1639}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 33 and name H ))
4.500 2.500 1.500 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 0.288 ppm2 8.691 CV 1
OR { 1639}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 33 and name H ))
OR { 1639}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 33 and name H ))
OR { 1639}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 33 and name H ))
OR { 1639}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 33 and name H ))
ASSI { 1640}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 34 and name H ))
3.400 1.400 1.400 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.18045E-02 ppm1 0.287 ppm2 8.929 CV 1
OR { 1640}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 34 and name H ))
OR { 1640}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 34 and name H ))
OR { 1640}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 34 and name H ))
OR { 1640}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 34 and name H ))
ASSI { 1642}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 30 and name H ))
3.800 1.800 1.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.30693E-02 ppm1 0.289 ppm2 9.644 CV 1
OR { 1642}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 29 and name H ))
OR { 1642}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 29 and name H ))
OR { 1642}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 29 and name H ))
OR { 1642}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 29 and name H ))
OR { 1642}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 30 and name H ))
OR { 1642}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 29 and name H ))
OR { 1642}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 30 and name H ))
ASSI { 1643}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 33 and name HA ))
3.700 1.700 1.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.14384E-02 ppm1 0.286 ppm2 4.068 CV 1
OR { 1643}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 33 and name HA ))
OR { 1643}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 33 and name HA ))
OR { 1643}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 33 and name HA ))
OR { 1643}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 33 and name HA ))
OR { 1643}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 33 and name HA ))
ASSI { 1646}
(( segid "B " and resid 62 and name HB2 ))
(( segid "B " and resid 70 and name HG21))
2.900 1.000 1.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 1.676 ppm2 0.913 CV 1
OR { 1646}
(( segid "B " and resid 62 and name HB2 ))
(( segid "B " and resid 70 and name HG22))
OR { 1646}
(( segid "B " and resid 62 and name HB2 ))
(( segid "B " and resid 70 and name HG23))
OR { 1646}
(( segid "B " and resid 62 and name HB2 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1650}
(( segid "B " and resid 62 and name HB3 ))
(( segid "B " and resid 70 and name HG21))
3.600 1.600 1.600 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.13014E-02 ppm1 1.377 ppm2 0.909 CV 1
OR { 1650}
(( segid "B " and resid 62 and name HB3 ))
(( segid "B " and resid 70 and name HG22))
OR { 1650}
(( segid "B " and resid 62 and name HB3 ))
(( segid "B " and resid 70 and name HG23))
OR { 1650}
(( segid "B " and resid 62 and name HB3 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1655}
(( segid "B " and resid 62 and name HG ))
(( segid "B " and resid 70 and name HG21))
3.000 1.200 1.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.18863E-02 ppm1 1.811 ppm2 0.907 CV 1
OR { 1655}
(( segid "B " and resid 62 and name HG ))
(( segid "B " and resid 34 and name HD13))
OR { 1655}
(( segid "B " and resid 62 and name HG ))
(( segid "B " and resid 70 and name HG23))
OR { 1655}
(( segid "B " and resid 62 and name HG ))
(( segid "B " and resid 34 and name HD12))
OR { 1655}
(( segid "B " and resid 62 and name HG ))
(( segid "B " and resid 70 and name HG22))
OR { 1655}
(( segid "B " and resid 62 and name HG ))
( segid "C " and resid 1921 and name HD2%)
ASSI { 1666}
(( segid "B " and resid 62 and name HD12))
( segid "C " and resid 1921 and name HD2%)
2.200 0.600 0.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.15297E-01 ppm1 0.556 ppm2 0.907 CV 1
OR { 1666}
(( segid "B " and resid 62 and name HD13))
( segid "C " and resid 1921 and name HD2%)
OR { 1666}
(( segid "B " and resid 62 and name HD11))
( segid "C " and resid 1921 and name HD2%)
OR { 1666}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 70 and name HG21))
OR { 1666}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 70 and name HG21))
OR { 1666}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 70 and name HG22))
OR { 1666}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 70 and name HG21))
OR { 1666}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 70 and name HG23))
OR { 1666}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 34 and name HD13))
OR { 1666}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 34 and name HD12))
OR { 1666}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 70 and name HG23))
OR { 1666}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 70 and name HG22))
OR { 1666}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 70 and name HG22))
OR { 1666}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 70 and name HG23))
OR { 1666}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 34 and name HD13))
ASSI { 1667}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 34 and name HD23))
3.100 3.100 2.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.36806E-02 ppm1 0.556 ppm2 0.851 CV 1
OR { 1667}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 34 and name HD22))
OR { 1667}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 34 and name HD23))
OR { 1667}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 34 and name HD22))
OR { 1667}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 34 and name HD21))
OR { 1667}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 34 and name HD23))
OR { 1667}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 34 and name HD22))
OR { 1667}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 34 and name HD21))
OR { 1667}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 34 and name HD21))
OR { 1667}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 37 and name HD23))
ASSI { 1672}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1917 and name HB3 ))
4.200 2.200 1.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 0.556 ppm2 1.975 CV 1
OR { 1672}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1917 and name HB3 ))
OR { 1672}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1917 and name HB3 ))
OR { 1672}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1921 and name HB2 ))
OR { 1672}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1921 and name HB2 ))
OR { 1672}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1921 and name HB2 ))
ASSI { 1677}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD2%)
3.100 1.200 1.200 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.50224E-02 ppm1 0.414 ppm2 1.027 CV 1
OR { 1677}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD2%)
OR { 1677}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD2%)
OR { 1677}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 38 and name HD13))
OR { 1677}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 38 and name HD11))
OR { 1677}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 38 and name HD13))
OR { 1677}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 38 and name HD13))
OR { 1677}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 38 and name HD11))
OR { 1677}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 38 and name HD11))
OR { 1677}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 38 and name HD12))
OR { 1677}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 38 and name HD12))
ASSI { 1678}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1921 and name HD2%)
2.000 0.500 0.500 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.22283E-01 ppm1 0.414 ppm2 0.908 CV 1
OR { 1678}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1921 and name HD2%)
OR { 1678}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1921 and name HD2%)
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HD12))
OR { 1678}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HD12))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HD12))
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HD11))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HD11))
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HD13))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HD13))
OR { 1678}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HD11))
OR { 1678}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG21))
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HG21))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 70 and name HG21))
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HG23))
OR { 1678}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG22))
OR { 1678}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG23))
OR { 1678}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HG22))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 70 and name HG23))
OR { 1678}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 70 and name HG22))
ASSI { 1679}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HD22))
2.500 2.500 3.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.83192E-02 ppm1 0.414 ppm2 0.841 CV 1
OR { 1679}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HD22))
OR { 1679}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HD22))
OR { 1679}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 34 and name HD23))
OR { 1679}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 34 and name HD23))
OR { 1679}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 34 and name HD23))
OR { 1679}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 34 and name HD22))
OR { 1679}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 34 and name HD22))
OR { 1679}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 34 and name HD22))
OR { 1679}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 34 and name HD21))
ASSI { 1680}
(( segid "B " and resid 62 and name HD23))
( segid "C " and resid 1917 and name HD1%)
3.200 1.300 1.300 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.54841E-02 ppm1 0.414 ppm2 1.193 CV 1
OR { 1680}
(( segid "B " and resid 62 and name HD21))
( segid "C " and resid 1917 and name HD1%)
OR { 1680}
(( segid "B " and resid 62 and name HD22))
( segid "C " and resid 1917 and name HD1%)
OR { 1680}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HG13))
OR { 1680}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG13))
OR { 1680}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 70 and name HG12))
OR { 1680}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG12))
OR { 1680}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 70 and name HG11))
ASSI { 1683}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 58 and name HG ))
3.800 1.800 1.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 0.556 ppm2 1.416 CV 1
OR { 1683}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 58 and name HG ))
OR { 1683}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 58 and name HG ))
OR { 1683}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 79 and name HB2 ))
OR { 1683}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 79 and name HB2 ))
ASSI { 1685}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HB3 ))
2.700 2.700 3.300 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 0.414 ppm2 1.913 CV 1
OR { 1685}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 59 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 42 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 42 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD22))
(( segid "A " and resid 9 and name HG ))
OR { 1685}
(( segid "B " and resid 62 and name HD23))
(( segid "A " and resid 9 and name HG ))
OR { 1685}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 42 and name HB3 ))
OR { 1685}
(( segid "B " and resid 62 and name HD21))
(( segid "A " and resid 9 and name HG ))
ASSI { 1691}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 85 and name HE1 ))
4.800 2.900 1.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.76731E-03 ppm1 0.416 ppm2 2.092 CV 1
OR { 1691}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 85 and name HE1 ))
OR { 1691}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 85 and name HE1 ))
OR { 1691}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 85 and name HE2 ))
OR { 1691}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 85 and name HE2 ))
OR { 1691}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 85 and name HE2 ))
OR { 1691}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 85 and name HE3 ))
OR { 1691}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 85 and name HE3 ))
OR { 1691}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 85 and name HE3 ))
OR { 1691}
(( segid "B " and resid 62 and name HD23))
(( segid "C " and resid 1918 and name HB2 ))
ASSI { 1698}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 74 and name HA ))
3.900 1.900 1.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.95028E-03 ppm1 0.558 ppm2 4.020 CV 1
OR { 1698}
(( segid "B " and resid 62 and name HD13))
(( segid "B " and resid 74 and name HA ))
OR { 1698}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 74 and name HA ))
OR { 1698}
(( segid "B " and resid 62 and name HD12))
(( segid "B " and resid 58 and name HA ))
ASSI { 1699}
(( segid "B " and resid 62 and name HD12))
(( segid "C " and resid 1918 and name HA ))
4.400 2.400 1.600 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.95742E-03 ppm1 0.555 ppm2 3.921 CV 1
OR { 1699}
(( segid "B " and resid 62 and name HD13))
(( segid "C " and resid 1918 and name HA ))
OR { 1699}
(( segid "B " and resid 62 and name HD11))
(( segid "C " and resid 1918 and name HA ))
OR { 1699}
(( segid "B " and resid 62 and name HD11))
(( segid "B " and resid 59 and name HA ))
ASSI { 1700}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 58 and name HA ))
3.300 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 0.415 ppm2 4.022 CV 1
OR { 1700}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 58 and name HA ))
OR { 1700}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 58 and name HA ))
OR { 1700}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 74 and name HA ))
ASSI { 1704}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 78 and name HA ))
4.200 2.200 1.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.13925E-02 ppm1 0.415 ppm2 4.324 CV 1
OR { 1704}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 78 and name HA ))
OR { 1704}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 78 and name HA ))
OR { 1704}
(( segid "B " and resid 62 and name HD22))
(( segid "B " and resid 75 and name HA ))
OR { 1704}
(( segid "B " and resid 62 and name HD23))
(( segid "B " and resid 75 and name HA ))
OR { 1704}
(( segid "B " and resid 62 and name HD21))
(( segid "B " and resid 75 and name HA ))
ASSI { 1750}
(( segid "B " and resid 61 and name HB3 ))
( segid "C " and resid 1921 and name HD2%)
3.100 1.200 1.200 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.75737E-03 ppm1 2.325 ppm2 0.899 CV 1
OR { 1750}
(( segid "B " and resid 61 and name HB3 ))
(( segid "B " and resid 58 and name HD12))
OR { 1750}
(( segid "B " and resid 61 and name HB3 ))
(( segid "B " and resid 58 and name HD13))
ASSI { 1751}
(( segid "B " and resid 61 and name HA ))
( segid "C " and resid 1921 and name HD2%)
4.500 2.600 1.500 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.77881E-03 ppm1 4.555 ppm2 0.901 CV 1
OR { 1751}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 58 and name HD12))
OR { 1751}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 58 and name HD13))
OR { 1751}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 58 and name HD11))
ASSI { 1758}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 56 and name HG2 ))
3.600 1.600 1.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 4.065 ppm2 2.519 CV 1
OR { 1758}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 56 and name HG3 ))
OR { 1758}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 59 and name HG2 ))
ASSI { 1759}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 59 and name HG3 ))
4.600 2.600 1.400 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.66306E-03 ppm1 4.070 ppm2 2.439 CV 1
OR { 1759}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 59 and name HG3 ))
OR { 1759}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 63 and name HB3 ))
OR { 1759}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 63 and name HB3 ))
ASSI { 1804}
(( segid "A " and resid 58 and name HA ))
(( segid "C " and resid 1900 and name HB3 ))
3.100 1.200 1.200 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 3.871 ppm2 2.060 CV 1
OR { 1804}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 62 and name HG ))
ASSI { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 34 and name HD12))
4.100 2.100 1.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.74998E-03 ppm1 2.179 ppm2 0.787 CV 1
OR { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 34 and name HD11))
OR { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 34 and name HD13))
OR { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 58 and name HD23))
OR { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 58 and name HD21))
OR { 1809}
(( segid "A " and resid 59 and name HB2 ))
(( segid "A " and resid 58 and name HD22))
ASSI { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 34 and name HD11))
4.500 2.600 1.500 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.93791E-03 ppm1 1.858 ppm2 0.785 CV 1
OR { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 34 and name HD12))
OR { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 34 and name HD13))
OR { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 58 and name HD23))
OR { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 58 and name HD21))
OR { 1810}
(( segid "A " and resid 59 and name HB3 ))
(( segid "A " and resid 58 and name HD22))
ASSI { 1814}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 34 and name HD11))
4.000 2.000 2.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.15238E-02 ppm1 2.535 ppm2 0.787 CV 1
OR { 1814}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 34 and name HD12))
OR { 1814}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 34 and name HD13))
OR { 1814}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 58 and name HD21))
OR { 1814}
(( segid "A " and resid 59 and name HG2 ))
(( segid "A " and resid 58 and name HD23))
ASSI { 1815}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 34 and name HD11))
3.700 1.700 1.700 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14995E-02 ppm1 2.431 ppm2 0.788 CV 1
OR { 1815}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 34 and name HD12))
OR { 1815}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 34 and name HD13))
OR { 1815}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 58 and name HD23))
ASSI { 1819}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 59 and name HB3 ))
2.200 0.600 0.600 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.69254E-02 ppm1 2.435 ppm2 1.899 CV 1
OR { 1819}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name HE3 ))
OR { 1819}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name HE2 ))
OR { 1819}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 59 and name HE1 ))
ASSI { 1824}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 31 and name HD3 ))
4.200 2.200 1.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.12708E-02 ppm1 2.430 ppm2 1.776 CV 1
OR { 1824}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 31 and name HD3 ))
OR { 1824}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 31 and name HD2 ))
OR { 1824}
(( segid "A " and resid 59 and name HG3 ))
(( segid "A " and resid 31 and name HD2 ))
ASSI { 1829}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 34 and name HB3 ))
2.600 2.600 3.400 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.35050E-02 ppm1 1.907 ppm2 1.388 CV 1
OR { 1829}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 58 and name HG ))
OR { 1829}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 58 and name HG ))
OR { 1829}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 58 and name HG ))
ASSI { 1830}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 31 and name HG3 ))
2.800 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.66416E-02 ppm1 1.904 ppm2 1.496 CV 1
OR { 1830}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 31 and name HG3 ))
OR { 1830}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 31 and name HG3 ))
OR { 1830}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 1833}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 63 and name HB2 ))
3.300 1.400 1.400 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.27529E-02 ppm1 1.902 ppm2 2.927 CV 1
OR { 1833}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 63 and name HB2 ))
OR { 1833}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 74 and name HG3 ))
OR { 1833}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 74 and name HG3 ))
OR { 1833}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 74 and name HG3 ))
ASSI { 1834}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 30 and name HB3 ))
3.100 1.200 1.200 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.64117E-02 ppm1 1.903 ppm2 3.037 CV 1
OR { 1834}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 30 and name HB3 ))
OR { 1834}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 30 and name HB3 ))
OR { 1834}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 31 and name HE3 ))
OR { 1834}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 31 and name HE2 ))
OR { 1834}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 31 and name HE3 ))
OR { 1834}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 31 and name HE2 ))
ASSI { 1841}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 30 and name HA ))
2.000 0.500 0.500 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.22846E-01 ppm1 1.903 ppm2 4.818 CV 1
OR { 1841}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 30 and name HA ))
OR { 1841}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 69 and name HA ))
OR { 1841}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 30 and name HA ))
OR { 1841}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 69 and name HA ))
ASSI { 1850}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 69 and name H ))
2.700 0.900 0.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.73351E-02 ppm1 1.903 ppm2 7.861 CV 1
OR { 1850}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 69 and name H ))
OR { 1850}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 63 and name H ))
OR { 1850}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 69 and name H ))
OR { 1850}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 63 and name H ))
ASSI { 1856}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 30 and name H ))
3.300 1.300 1.300 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.24364E-02 ppm1 1.903 ppm2 9.647 CV 1
OR { 1856}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 30 and name H ))
OR { 1856}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 29 and name H ))
OR { 1856}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 29 and name H ))
OR { 1856}
(( segid "A " and resid 59 and name HE2 ))
(( segid "A " and resid 29 and name H ))
ASSI { 1862}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 70 and name HG22))
3.000 1.100 1.100 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.23583E-02 ppm1 3.922 ppm2 0.911 CV 1
OR { 1862}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 70 and name HG23))
OR { 1862}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 70 and name HG21))
OR { 1862}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 34 and name HD11))
OR { 1862}
(( segid "B " and resid 59 and name HA ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1865}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 70 and name HG23))
4.300 2.300 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.81674E-03 ppm1 2.259 ppm2 0.909 CV 1
OR { 1865}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 70 and name HG22))
OR { 1865}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 34 and name HD11))
OR { 1865}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 70 and name HG21))
OR { 1865}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 70 and name HG22))
4.700 2.800 1.300 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.82152E-03 ppm1 1.903 ppm2 0.906 CV 1
OR { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 70 and name HG23))
OR { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 70 and name HG21))
OR { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 34 and name HD11))
OR { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 34 and name HD12))
OR { 1867}
(( segid "B " and resid 59 and name HB3 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1868}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 70 and name HG22))
3.900 1.900 1.900 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 2.600 ppm2 0.911 CV 1
OR { 1868}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 70 and name HG23))
OR { 1868}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 70 and name HG21))
OR { 1868}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 34 and name HD11))
OR { 1868}
(( segid "B " and resid 59 and name HG2 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1869}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 70 and name HG22))
3.700 1.700 1.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.15514E-02 ppm1 2.447 ppm2 0.910 CV 1
OR { 1869}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 70 and name HG23))
OR { 1869}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 70 and name HG21))
OR { 1869}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 34 and name HD11))
OR { 1869}
(( segid "B " and resid 59 and name HG3 ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1882}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 56 and name HA ))
3.600 1.600 1.600 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.13589E-02 ppm1 2.259 ppm2 4.033 CV 1
OR { 1882}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 60 and name HB3 ))
OR { 1882}
(( segid "B " and resid 59 and name HB2 ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG23))
1.700 0.400 0.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.44109E-01 ppm1 1.972 ppm2 0.913 CV 1
OR { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG22))
OR { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 70 and name HG21))
OR { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD11))
OR { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD13))
OR { 1902}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 34 and name HD12))
OR { 1902}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG23))
OR { 1902}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG22))
OR { 1902}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 70 and name HG23))
OR { 1902}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 70 and name HG21))
OR { 1902}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 70 and name HG22))
OR { 1902}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 34 and name HD11))
OR { 1902}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 70 and name HG21))
ASSI { 1908}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 29 and name HB2 ))
3.000 3.000 3.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.55642E-02 ppm1 1.970 ppm2 2.150 CV 1
OR { 1908}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 29 and name HB2 ))
OR { 1908}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 69 and name HG2 ))
OR { 1908}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 69 and name HG2 ))
OR { 1908}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 69 and name HG2 ))
ASSI { 1914}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 30 and name HB3 ))
3.500 1.600 1.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.38692E-02 ppm1 1.972 ppm2 3.066 CV 1
OR { 1914}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 30 and name HB3 ))
OR { 1914}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name HE3 ))
OR { 1914}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 31 and name HE2 ))
OR { 1914}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 30 and name HB3 ))
ASSI { 1919}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 58 and name HA ))
4.700 1.300 1.300 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.33294E-02 ppm1 1.971 ppm2 4.016 CV 1
OR { 1919}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 58 and name HA ))
OR { 1919}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 60 and name HB3 ))
OR { 1919}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 60 and name HB2 ))
OR { 1919}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 60 and name HB3 ))
OR { 1919}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 60 and name HB2 ))
OR { 1919}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 60 and name HB3 ))
OR { 1919}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 1921}
(( segid "B " and resid 59 and name HE2 ))
(( segid "B " and resid 60 and name HA ))
4.300 2.300 1.700 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 1.973 ppm2 4.314 CV 1
OR { 1921}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 60 and name HA ))
OR { 1921}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 60 and name HA ))
OR { 1921}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 75 and name HA ))
OR { 1921}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 75 and name HA ))
ASSI { 1950}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 60 and name HA ))
4.400 2.400 1.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.66090E-03 ppm1 3.870 ppm2 4.250 CV 1
OR { 1950}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 55 and name HA ))
OR { 1950}
(( segid "A " and resid 59 and name HA ))
(( segid "A " and resid 55 and name HA ))
ASSI { 1986}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 61 and name HA ))
4.800 2.800 1.200 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.66610E-03 ppm1 0.868 ppm2 4.462 CV 1
OR { 1986}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 61 and name HA ))
OR { 1986}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 61 and name HA ))
OR { 1986}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 45 and name HA ))
ASSI { 1987}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 62 and name HA ))
4.400 2.400 1.600 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 0.867 ppm2 4.334 CV 1
OR { 1987}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 62 and name HA ))
OR { 1987}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 62 and name HA ))
OR { 1987}
(( segid "A " and resid 58 and name HD11))
(( segid "C " and resid 1903 and name HA ))
OR { 1987}
(( segid "A " and resid 58 and name HD12))
(( segid "C " and resid 1903 and name HA ))
ASSI { 1988}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 55 and name HA ))
4.200 2.200 1.800 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.14904E-02 ppm1 0.867 ppm2 4.253 CV 1
OR { 1988}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 55 and name HA ))
OR { 1988}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 55 and name HA ))
OR { 1988}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 81 and name HA ))
OR { 1988}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 81 and name HA ))
ASSI { 2005}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 38 and name HD22))
2.600 0.900 0.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.61040E-02 ppm1 0.806 ppm2 0.934 CV 1
OR { 2005}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD22))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD22))
OR { 2005}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 38 and name HD21))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD21))
OR { 2005}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD21))
OR { 2005}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 38 and name HD23))
OR { 2005}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 38 and name HD23))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 38 and name HD23))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD12))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD13))
OR { 2005}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 62 and name HD12))
OR { 2005}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 62 and name HD11))
OR { 2005}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 62 and name HD12))
ASSI { 2016}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 55 and name HB2 ))
2.900 2.900 3.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 0.804 ppm2 3.170 CV 1
OR { 2016}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 55 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 55 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD21))
(( segid "C " and resid 1911 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD22))
(( segid "C " and resid 1911 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 76 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 76 and name HB2 ))
OR { 2016}
(( segid "A " and resid 58 and name HD23))
(( segid "C " and resid 1911 and name HB2 ))
ASSI { 2017}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 55 and name HB3 ))
4.200 2.200 1.800 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.80787E-03 ppm1 0.801 ppm2 3.046 CV 1
OR { 2017}
(( segid "A " and resid 58 and name HD21))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 57 and name HE2 ))
OR { 2017}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 57 and name HE2 ))
OR { 2017}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD22))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 57 and name HE2 ))
OR { 2017}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 57 and name HE3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 57 and name HE3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 57 and name HE3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD11))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD23))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD13))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD12))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 30 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD13))
(( segid "A " and resid 30 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD21))
(( segid "A " and resid 55 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 30 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD12))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 34 and name HD11))
(( segid "A " and resid 75 and name HB3 ))
OR { 2017}
(( segid "A " and resid 58 and name HD23))
(( segid "A " and resid 57 and name HE2 ))
OR { 2017}
(( segid "A " and resid 34 and name HD22))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 2021}
(( segid "B " and resid 58 and name HB3 ))
(( segid "B " and resid 58 and name H ))
3.100 1.200 1.200 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 1.928 ppm2 7.997 CV 1
OR { 2021}
(( segid "B " and resid 58 and name HB3 ))
(( segid "B " and resid 57 and name H ))
ASSI { 2023}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 58 and name H ))
2.700 0.900 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 4.024 ppm2 8.001 CV 1
OR { 2023}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 62 and name H ))
ASSI { 2052}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1926 and name HG ))
3.900 1.900 1.900 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 0.900 ppm2 1.681 CV 1
OR { 2052}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1926 and name HG ))
OR { 2052}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1926 and name HG ))
OR { 2052}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1921 and name HB3 ))
OR { 2052}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1921 and name HB3 ))
ASSI { 2055}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1921 and name HB2 ))
3.900 1.900 1.900 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 0.902 ppm2 1.980 CV 1
OR { 2055}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 59 and name HE1 ))
OR { 2055}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 59 and name HE1 ))
OR { 2055}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 59 and name HE1 ))
OR { 2055}
(( segid "B " and resid 58 and name HD12))
(( segid "B " and resid 59 and name HE2 ))
OR { 2055}
(( segid "B " and resid 58 and name HD13))
(( segid "B " and resid 59 and name HE2 ))
OR { 2055}
(( segid "B " and resid 58 and name HD11))
(( segid "B " and resid 59 and name HE2 ))
ASSI { 2061}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD13))
3.500 3.500 2.500 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 0.829 ppm2 0.553 CV 1
OR { 2061}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD12))
OR { 2061}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 82 and name HG12))
OR { 2061}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 62 and name HD11))
ASSI { 2062}
(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 50 and name HG22))
2.300 0.700 0.700 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.84926E-02 ppm1 0.830 ppm2 1.040 CV 1
OR { 2062}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 50 and name HG22))
OR { 2062}
(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 38 and name HD13))
OR { 2062}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 50 and name HG22))
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(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 38 and name HD12))
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(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 38 and name HD13))
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(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 38 and name HD13))
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(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 38 and name HD12))
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(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 38 and name HD12))
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(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 50 and name HG21))
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(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 38 and name HD11))
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(( segid "B " and resid 50 and name HG21))
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(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 50 and name HG21))
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(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 50 and name HG23))
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(( segid "B " and resid 58 and name HD22))
(( segid "B " and resid 50 and name HG23))
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(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 50 and name HG23))
ASSI { 2069}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 55 and name HB2 ))
3.000 1.100 1.100 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.97585E-03 ppm1 0.830 ppm2 3.087 CV 1
OR { 2069}
(( segid "B " and resid 58 and name HD23))
(( segid "C " and resid 1928 and name HB2 ))
OR { 2069}
(( segid "B " and resid 58 and name HD21))
(( segid "B " and resid 55 and name HB3 ))
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(( segid "B " and resid 58 and name HD22))
(( segid "C " and resid 1928 and name HB2 ))
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(( segid "B " and resid 58 and name HD23))
(( segid "B " and resid 55 and name HB2 ))
ASSI { 2071}
(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1927 and name HG2 ))
3.000 1.100 1.100 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 0.903 ppm2 1.363 CV 1
OR { 2071}
(( segid "B " and resid 58 and name HD11))
(( segid "C " and resid 1927 and name HG2 ))
OR { 2071}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1927 and name HG2 ))
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(( segid "B " and resid 58 and name HD13))
(( segid "C " and resid 1926 and name HB3 ))
OR { 2071}
(( segid "B " and resid 58 and name HD12))
(( segid "C " and resid 1926 and name HB3 ))
ASSI { 2129}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name H ))
2.700 0.900 0.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.37910E-02 ppm1 4.090 ppm2 7.985 CV 1
OR { 2129}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 58 and name H ))
ASSI { 2153}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 56 and name HE21))
2.400 0.700 0.700 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.76799E-02 ppm1 2.514 ppm2 7.513 CV 1
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(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 56 and name HE21))
OR { 2153}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HE21))
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(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 56 and name HE21))
ASSI { 2154}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 56 and name HE22))
3.100 1.200 1.200 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.58893E-02 ppm1 2.513 ppm2 6.932 CV 1
OR { 2154}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 56 and name HE22))
OR { 2154}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 56 and name HE22))
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(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 56 and name HE22))
ASSI { 2160}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 53 and name HA ))
2.500 0.800 0.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.62729E-02 ppm1 2.514 ppm2 4.241 CV 1
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(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 53 and name HA ))
OR { 2160}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 53 and name HA ))
ASSI { 2162}
(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 57 and name HE3 ))
3.500 1.500 1.500 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.24580E-02 ppm1 2.516 ppm2 3.046 CV 1
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(( segid "A " and resid 55 and name HB3 ))
OR { 2162}
(( segid "A " and resid 56 and name HG3 ))
(( segid "A " and resid 57 and name HE3 ))
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(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 55 and name HB3 ))
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(( segid "B " and resid 31 and name HE2 ))
OR { 2162}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 31 and name HE3 ))
OR { 2162}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 31 and name HE2 ))
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(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 31 and name HE3 ))
ASSI { 2164}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 57 and name HD3 ))
3.700 1.700 1.700 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 2.514 ppm2 1.775 CV 1
OR { 2164}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 57 and name HD3 ))
OR { 2164}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 31 and name HD2 ))
OR { 2164}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 31 and name HD3 ))
OR { 2164}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 31 and name HD3 ))
ASSI { 2165}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 57 and name HB3 ))
4.300 2.300 1.700 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 2.516 ppm2 1.911 CV 1
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(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 57 and name HB3 ))
OR { 2165}
(( segid "A " and resid 56 and name HG2 ))
(( segid "A " and resid 57 and name HB3 ))
OR { 2165}
(( segid "B " and resid 56 and name HG2 ))
(( segid "B " and resid 58 and name HB3 ))
OR { 2165}
(( segid "B " and resid 56 and name HG3 ))
(( segid "B " and resid 58 and name HB3 ))
ASSI { 2194}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 58 and name H ))
4.400 2.400 1.600 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.68192E-03 ppm1 4.099 ppm2 8.334 CV 1
OR { 2194}
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(( segid "A " and resid 53 and name H ))
ASSI { 2210}
(( segid "A " and resid 54 and name HB1 ))
(( segid "C " and resid 1898 and name HB2 ))
2.500 0.800 0.800 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.48901E-02 ppm1 1.317 ppm2 1.960 CV 1
OR { 2210}
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(( segid "C " and resid 1898 and name HB2 ))
OR { 2210}
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(( segid "C " and resid 1898 and name HB2 ))
OR { 2210}
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(( segid "B " and resid 57 and name HB2 ))
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(( segid "B " and resid 54 and name HB1 ))
(( segid "B " and resid 57 and name HB2 ))
ASSI { 2212}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 49 and name HG3 ))
2.500 2.500 3.500 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 1.318 ppm2 1.644 CV 1
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(( segid "A " and resid 49 and name HG3 ))
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(( segid "A " and resid 54 and name HB3 ))
(( segid "A " and resid 49 and name HG3 ))
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(( segid "A " and resid 57 and name HD2 ))
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(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 57 and name HD2 ))
ASSI { 2213}
(( segid "A " and resid 54 and name HB2 ))
(( segid "A " and resid 53 and name HB2 ))
3.500 1.500 1.500 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.34595E-02 ppm1 1.319 ppm2 1.523 CV 1
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(( segid "B " and resid 58 and name HB2 ))
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(( segid "A " and resid 54 and name HB1 ))
(( segid "A " and resid 53 and name HB1 ))
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(( segid "A " and resid 53 and name HB3 ))
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ASSI { 2214}
(( segid "B " and resid 54 and name HB3 ))
( segid "C " and resid 1926 and name HD2%)
3.900 1.900 1.900 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.18412E-02 ppm1 1.326 ppm2 0.865 CV 1
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( segid "C " and resid 1926 and name HD2%)
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( segid "C " and resid 1926 and name HD2%)
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(( segid "A " and resid 58 and name HD12))
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(( segid "A " and resid 58 and name HD11))
ASSI { 2217}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 56 and name HB3 ))
4.000 2.000 2.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.56746E-03 ppm1 4.093 ppm2 2.213 CV 1
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(( segid "C " and resid 1897 and name HG2 ))
ASSI { 2219}
(( segid "A " and resid 54 and name HA ))
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OR { 2219}
(( segid "A " and resid 54 and name HA ))
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ASSI { 2224}
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4.100 2.100 1.900 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.79443E-03 ppm1 4.130 ppm2 1.605 CV 1
OR { 2224}
(( segid "B " and resid 54 and name HA ))
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ASSI { 2230}
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OR { 2230}
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OR { 2230}
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OR { 2230}
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OR { 2230}
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ASSI { 2233}
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3.800 1.800 1.800 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.77642E-03 ppm1 1.324 ppm2 4.349 CV 1
OR { 2233}
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ASSI { 2239}
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3.200 1.300 1.300 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.24927E-02 ppm1 1.321 ppm2 1.771 CV 1
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(( segid "C " and resid 1898 and name HG3 ))
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(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1898 and name HG3 ))
OR { 2239}
(( segid "A " and resid 54 and name HB3 ))
(( segid "C " and resid 1898 and name HG2 ))
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(( segid "A " and resid 54 and name HB2 ))
(( segid "C " and resid 1898 and name HG2 ))
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ASSI { 2243}
(( segid "B " and resid 54 and name HB3 ))
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OR { 2243}
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(( segid "A " and resid 54 and name HB1 ))
( segid "C " and resid 1900 and name HD1%)
ASSI { 2284}
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3.300 1.400 1.400 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 4.175 ppm2 1.384 CV 1
OR { 2284}
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OR { 2284}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 2287}
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4.000 2.000 2.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.79573E-03 ppm1 4.176 ppm2 1.770 CV 1
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(( segid "A " and resid 91 and name HB3 ))
OR { 2287}
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(( segid "A " and resid 90 and name HA ))
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ASSI { 2288}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 91 and name HG3 ))
4.200 2.200 1.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.66958E-03 ppm1 4.175 ppm2 1.899 CV 1
OR { 2288}
(( segid "A " and resid 90 and name HA ))
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OR { 2288}
(( segid "B " and resid 90 and name HA ))
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ASSI { 2292}
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3.900 1.900 1.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 2.128 ppm2 1.521 CV 1
OR { 2292}
(( segid "B " and resid 52 and name HB3 ))
(( segid "B " and resid 53 and name HB1 ))
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(( segid "B " and resid 52 and name HB3 ))
(( segid "B " and resid 53 and name HB3 ))
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(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 53 and name HB1 ))
ASSI { 2293}
(( segid "B " and resid 52 and name HB2 ))
(( segid "B " and resid 51 and name HA ))
4.700 2.700 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.95396E-03 ppm1 2.165 ppm2 4.771 CV 1
OR { 2293}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 51 and name HA ))
ASSI { 2322}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 52 and name HB2 ))
4.600 2.600 1.400 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.81177E-03 ppm1 2.857 ppm2 2.155 CV 1
OR { 2322}
(( segid "B " and resid 51 and name HB3 ))
(( segid "B " and resid 52 and name HB2 ))
OR { 2322}
(( segid "B " and resid 51 and name HB3 ))
(( segid "B " and resid 52 and name HB3 ))
ASSI { 2327}
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(( segid "A " and resid 100 and name H ))
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OR { 2327}
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(( segid "A " and resid 100 and name H ))
OR { 2327}
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(( segid "A " and resid 22 and name HE3 ))
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ASSI { 2348}
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(( segid "A " and resid 48 and name H ))
3.900 1.900 1.900 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.65874E-03 ppm1 1.170 ppm2 8.569 CV 1
OR { 2348}
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(( segid "A " and resid 48 and name H ))
OR { 2348}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 48 and name H ))
OR { 2348}
(( segid "A " and resid 50 and name HG21))
(( segid "A " and resid 38 and name H ))
ASSI { 2352}
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(( segid "B " and resid 50 and name H ))
2.700 0.900 0.900 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.57463E-02 ppm1 1.030 ppm2 7.984 CV 1
OR { 2352}
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(( segid "B " and resid 50 and name H ))
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(( segid "B " and resid 50 and name H ))
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(( segid "B " and resid 51 and name H ))
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(( segid "B " and resid 50 and name HG23))
(( segid "B " and resid 51 and name H ))
ASSI { 2357}
(( segid "B " and resid 50 and name HB ))
(( segid "B " and resid 50 and name H ))
3.400 1.400 1.400 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 4.352 ppm2 7.982 CV 1
OR { 2357}
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(( segid "B " and resid 51 and name H ))
OR { 2357}
(( segid "B " and resid 50 and name HB ))
(( segid "B " and resid 55 and name H ))
ASSI { 2362}
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2.600 2.600 3.400 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.27919E-02 ppm1 1.026 ppm2 1.841 CV 1
OR { 2362}
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(( segid "B " and resid 46 and name HB2 ))
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(( segid "B " and resid 50 and name HG21))
(( segid "C " and resid 1926 and name HB2 ))
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(( segid "C " and resid 1926 and name HB2 ))
OR { 2362}
(( segid "B " and resid 50 and name HG23))
(( segid "C " and resid 1926 and name HB2 ))
ASSI { 2364}
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(( segid "B " and resid 35 and name HD2 ))
3.400 1.400 1.400 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.53366E-02 ppm1 1.030 ppm2 1.329 CV 1
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(( segid "B " and resid 35 and name HD2 ))
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(( segid "B " and resid 35 and name HD2 ))
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(( segid "B " and resid 50 and name HG21))
(( segid "B " and resid 54 and name HB2 ))
OR { 2364}
(( segid "B " and resid 50 and name HG21))
(( segid "B " and resid 54 and name HB3 ))
OR { 2364}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 54 and name HB2 ))
OR { 2364}
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(( segid "B " and resid 54 and name HB1 ))
OR { 2364}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 54 and name HB3 ))
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(( segid "B " and resid 50 and name HG23))
(( segid "B " and resid 54 and name HB2 ))
OR { 2364}
(( segid "B " and resid 50 and name HG23))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 2365}
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(( segid "B " and resid 46 and name HB3 ))
2.900 1.100 1.100 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.21104E-02 ppm1 1.028 ppm2 1.708 CV 1
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(( segid "B " and resid 46 and name HB3 ))
OR { 2365}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 38 and name HB2 ))
OR { 2365}
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(( segid "B " and resid 38 and name HB2 ))
OR { 2365}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 46 and name HB3 ))
OR { 2365}
(( segid "B " and resid 50 and name HG21))
(( segid "B " and resid 38 and name HB2 ))
OR { 2365}
(( segid "B " and resid 50 and name HG22))
(( segid "B " and resid 35 and name HB2 ))
ASSI { 2368}
(( segid "B " and resid 50 and name HB ))
(( segid "B " and resid 35 and name HD2 ))
3.400 1.400 1.400 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.81394E-03 ppm1 4.353 ppm2 1.328 CV 1
OR { 2368}
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(( segid "B " and resid 54 and name HB2 ))
OR { 2368}
(( segid "B " and resid 50 and name HB ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 2395}
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(( segid "B " and resid 35 and name HD2 ))
3.800 1.800 1.800 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.93814E-03 ppm1 1.649 ppm2 1.318 CV 1
OR { 2395}
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(( segid "B " and resid 54 and name HB2 ))
OR { 2395}
(( segid "B " and resid 49 and name HG3 ))
(( segid "B " and resid 54 and name HB1 ))
OR { 2395}
(( segid "B " and resid 49 and name HG3 ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 2397}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 35 and name HD2 ))
3.800 1.800 1.800 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 3.236 ppm2 1.318 CV 1
OR { 2397}
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(( segid "B " and resid 35 and name HD2 ))
OR { 2397}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 54 and name HB2 ))
OR { 2397}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 54 and name HB2 ))
OR { 2397}
(( segid "B " and resid 49 and name HD2 ))
(( segid "B " and resid 54 and name HB3 ))
OR { 2397}
(( segid "B " and resid 49 and name HD3 ))
(( segid "B " and resid 54 and name HB3 ))
ASSI { 2442}
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(( segid "B " and resid 7 and name H ))
4.100 2.100 1.900 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 1.798 ppm2 8.251 CV 1
OR { 2442}
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(( segid "B " and resid 7 and name H ))
OR { 2442}
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(( segid "B " and resid 8 and name H ))
OR { 2442}
(( segid "B " and resid 7 and name HD2 ))
(( segid "B " and resid 8 and name H ))
ASSI { 2452}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 8 and name HB3 ))
2.600 0.800 0.800 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.49876E-02 ppm1 4.289 ppm2 1.687 CV 1
OR { 2452}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 8 and name HB3 ))
OR { 2452}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 8 and name HB2 ))
OR { 2452}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
OR { 2452}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 8 and name HB2 ))
OR { 2452}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 8 and name HB1 ))
ASSI { 2456}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD21))
2.400 0.700 0.700 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.45346E-02 ppm1 4.288 ppm2 1.060 CV 1
OR { 2456}
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(( segid "A " and resid 5 and name HD22))
OR { 2456}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD23))
OR { 2456}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 5 and name HD13))
OR { 2456}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD13))
OR { 2456}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD12))
OR { 2456}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HD11))
ASSI { 2458}
(( segid "B " and resid 5 and name HA ))
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4.000 2.000 2.000 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.87854E-03 ppm1 4.291 ppm2 1.253 CV 1
OR { 2458}
(( segid "A " and resid 5 and name HA ))
(( segid "B " and resid 11 and name HG13))
OR { 2458}
(( segid "B " and resid 5 and name HA ))
(( segid "A " and resid 11 and name HG12))
OR { 2458}
(( segid "A " and resid 5 and name HA ))
(( segid "B " and resid 11 and name HG12))
OR { 2458}
(( segid "B " and resid 5 and name HA ))
(( segid "A " and resid 11 and name HG11))
OR { 2458}
(( segid "A " and resid 5 and name HA ))
(( segid "B " and resid 11 and name HG11))
ASSI { 2460}
(( segid "B " and resid 5 and name HA ))
(( segid "A " and resid 11 and name HB ))
3.300 1.400 1.400 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.93533E-03 ppm1 4.286 ppm2 2.387 CV 1
OR { 2460}
(( segid "A " and resid 5 and name HA ))
(( segid "B " and resid 11 and name HB ))
OR { 2460}
(( segid "B " and resid 5 and name HA ))
(( segid "A " and resid 12 and name HG3 ))
ASSI { 2461}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 5 and name HB2 ))
3.100 1.200 1.200 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.12334E-02 ppm1 4.293 ppm2 2.174 CV 1
OR { 2461}
(( segid "A " and resid 5 and name HA ))
(( segid "B " and resid 41 and name HB3 ))
OR { 2461}
(( segid "B " and resid 5 and name HA ))
(( segid "A " and resid 41 and name HB3 ))
OR { 2461}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 4 and name HB3 ))
ASSI { 2485}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 45 and name H ))
4.400 2.500 1.600 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.85578E-03 ppm1 1.819 ppm2 7.945 CV 1
OR { 2485}
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(( segid "A " and resid 45 and name H ))
OR { 2485}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 39 and name H ))
ASSI { 2489}
(( segid "A " and resid 46 and name HG ))
(( segid "A " and resid 45 and name H ))
4.100 2.100 1.900 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.69861E-03 ppm1 1.936 ppm2 7.945 CV 1
OR { 2489}
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(( segid "A " and resid 39 and name H ))
ASSI { 2510}
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(( segid "A " and resid 55 and name HA ))
3.500 1.500 1.500 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.20594E-02 ppm1 0.977 ppm2 4.242 CV 1
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(( segid "A " and resid 55 and name HA ))
OR { 2510}
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(( segid "A " and resid 55 and name HA ))
OR { 2510}
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(( segid "A " and resid 48 and name HA ))
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(( segid "A " and resid 48 and name HA ))
OR { 2510}
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(( segid "A " and resid 47 and name HA2 ))
OR { 2510}
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(( segid "A " and resid 47 and name HA2 ))
OR { 2510}
(( segid "A " and resid 46 and name HD21))
(( segid "A " and resid 47 and name HA2 ))
ASSI { 2520}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1900 and name HG ))
3.000 1.100 1.100 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.31842E-02 ppm1 0.977 ppm2 2.151 CV 1
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(( segid "C " and resid 1900 and name HG ))
OR { 2520}
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(( segid "C " and resid 1900 and name HG ))
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(( segid "C " and resid 1897 and name HG3 ))
OR { 2520}
(( segid "A " and resid 46 and name HD23))
(( segid "C " and resid 1897 and name HG3 ))
ASSI { 2523}
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(( segid "A " and resid 39 and name HG21))
2.200 0.600 0.600 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.13207E-01 ppm1 1.055 ppm2 1.354 CV 1
OR { 2523}
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(( segid "A " and resid 39 and name HG21))
OR { 2523}
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(( segid "A " and resid 39 and name HG23))
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(( segid "A " and resid 39 and name HG21))
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(( segid "A " and resid 39 and name HG22))
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(( segid "A " and resid 39 and name HG22))
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(( segid "A " and resid 39 and name HG23))
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(( segid "A " and resid 39 and name HG23))
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(( segid "A " and resid 46 and name HD13))
(( segid "A " and resid 39 and name HG22))
OR { 2523}
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(( segid "B " and resid 39 and name HG21))
ASSI { 2569}
(( segid "B " and resid 46 and name HD21))
( segid "C " and resid 1928 and name HD% )
2.600 0.900 0.900 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.10537E-01 ppm1 0.961 ppm2 7.299 CV 1
OR { 2569}
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( segid "C " and resid 1928 and name HD% )
OR { 2569}
(( segid "B " and resid 46 and name HD22))
( segid "B " and resid 45 and name HD% )
OR { 2569}
(( segid "B " and resid 46 and name HD23))
( segid "C " and resid 1928 and name HD% )
ASSI { 2570}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 45 and name H ))
4.500 2.500 1.500 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.80657E-03 ppm1 1.066 ppm2 8.033 CV 1
OR { 2570}
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(( segid "B " and resid 45 and name H ))
OR { 2570}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 45 and name H ))
OR { 2570}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 35 and name H ))
ASSI { 2571}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 39 and name H ))
2.900 1.100 1.100 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.23171E-02 ppm1 1.064 ppm2 7.959 CV 1
OR { 2571}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 51 and name H ))
OR { 2571}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 51 and name H ))
OR { 2571}
(( segid "B " and resid 46 and name HD12))
(( segid "B " and resid 51 and name H ))
ASSI { 2572}
(( segid "B " and resid 46 and name HD13))
(( segid "B " and resid 46 and name H ))
3.500 1.500 1.500 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.45475E-02 ppm1 1.067 ppm2 7.312 CV 1
OR { 2572}
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(( segid "B " and resid 46 and name H ))
OR { 2572}
(( segid "B " and resid 46 and name HD11))
(( segid "B " and resid 46 and name H ))
OR { 2572}
(( segid "B " and resid 46 and name HD11))
( segid "C " and resid 1928 and name HD% )
OR { 2572}
(( segid "B " and resid 46 and name HD13))
( segid "C " and resid 1928 and name HD% )
ASSI { 2575}
(( segid "A " and resid 45 and name HB2 ))
( segid "C " and resid 1900 and name HD1%)
3.600 1.700 1.700 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 3.397 ppm2 0.959 CV 1
OR { 2575}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 46 and name HD23))
OR { 2575}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 46 and name HD22))
ASSI { 2576}
(( segid "A " and resid 45 and name HA ))
( segid "C " and resid 1900 and name HD1%)
4.600 2.600 1.400 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.69580E-03 ppm1 4.472 ppm2 0.966 CV 1
OR { 2576}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 46 and name HD23))
OR { 2576}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 46 and name HD22))
ASSI { 2628}
(( segid "B " and resid 43 and name HD2 ))
(( segid "B " and resid 43 and name HD3 ))
2.000 0.500 0.500 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.37284E-02 ppm1 3.745 ppm2 3.222 CV 1
OR { 2628}
(( segid "A " and resid 43 and name HD2 ))
(( segid "A " and resid 43 and name HD3 ))
ASSI { 2630}
(( segid "B " and resid 43 and name HD2 ))
(( segid "B " and resid 42 and name HA ))
3.100 1.200 1.200 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.93814E-03 ppm1 3.741 ppm2 5.501 CV 1
OR { 2630}
(( segid "A " and resid 43 and name HD2 ))
(( segid "A " and resid 42 and name HA ))
ASSI { 2653}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 29 and name HD22))
3.800 1.800 1.800 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.16526E-02 ppm1 0.874 ppm2 0.289 CV 1
OR { 2653}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 29 and name HD23))
OR { 2653}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 29 and name HD22))
OR { 2653}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 29 and name HD21))
OR { 2653}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 29 and name HD23))
OR { 2653}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 29 and name HD21))
OR { 2653}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 29 and name HD22))
OR { 2653}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 29 and name HD21))
OR { 2653}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 29 and name HD23))
OR { 2653}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 62 and name HD21))
ASSI { 2660}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 38 and name HB3 ))
2.900 1.100 1.100 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.76299E-02 ppm1 0.873 ppm2 1.681 CV 1
OR { 2660}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 37 and name HB2 ))
OR { 2660}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 38 and name HB3 ))
OR { 2660}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 37 and name HB2 ))
OR { 2660}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 38 and name HB3 ))
OR { 2660}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 2665}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 41 and name HB3 ))
2.400 0.700 0.700 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.65722E-02 ppm1 0.872 ppm2 2.172 CV 1
OR { 2665}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 41 and name HB3 ))
OR { 2665}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 41 and name HB3 ))
OR { 2665}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 40 and name HB2 ))
OR { 2665}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 40 and name HB2 ))
ASSI { 2667}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 37 and name HA ))
2.800 1.000 1.000 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.57550E-02 ppm1 0.873 ppm2 2.603 CV 1
OR { 2667}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 41 and name HG2 ))
OR { 2667}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 41 and name HG2 ))
OR { 2667}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 41 and name HG2 ))
ASSI { 2669}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 5 and name HB3 ))
4.100 2.100 1.900 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.93685E-03 ppm1 0.706 ppm2 1.671 CV 1
OR { 2669}
(( segid "A " and resid 42 and name HD23))
(( segid "B " and resid 5 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 38 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 38 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD21))
(( segid "B " and resid 5 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 38 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 8 and name HB1 ))
OR { 2669}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 8 and name HB3 ))
OR { 2669}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 8 and name HB2 ))
OR { 2669}
(( segid "A " and resid 42 and name HD21))
(( segid "B " and resid 8 and name HB1 ))
OR { 2669}
(( segid "A " and resid 42 and name HD23))
(( segid "B " and resid 8 and name HB1 ))
OR { 2669}
(( segid "A " and resid 42 and name HD21))
(( segid "B " and resid 8 and name HB3 ))
ASSI { 2673}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 9 and name HB2 ))
4.000 2.000 2.000 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.13160E-02 ppm1 0.707 ppm2 2.175 CV 1
OR { 2673}
(( segid "A " and resid 42 and name HD21))
(( segid "B " and resid 9 and name HB2 ))
OR { 2673}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 41 and name HB3 ))
OR { 2673}
(( segid "A " and resid 42 and name HD23))
(( segid "B " and resid 9 and name HB2 ))
OR { 2673}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 41 and name HB3 ))
OR { 2673}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 41 and name HB3 ))
OR { 2673}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 85 and name HE1 ))
OR { 2673}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 85 and name HE1 ))
OR { 2673}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 85 and name HE1 ))
OR { 2673}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 85 and name HE3 ))
OR { 2673}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 85 and name HE3 ))
OR { 2673}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 85 and name HE3 ))
ASSI { 2674}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 41 and name HB2 ))
4.600 2.700 1.400 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.87050E-03 ppm1 0.707 ppm2 2.403 CV 1
OR { 2674}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 41 and name HB2 ))
OR { 2674}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 41 and name HB2 ))
OR { 2674}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 12 and name HG3 ))
OR { 2674}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 12 and name HG3 ))
OR { 2674}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 12 and name HG3 ))
ASSI { 2675}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 3 and name HB3 ))
4.300 2.300 1.700 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.95005E-03 ppm1 0.871 ppm2 2.947 CV 1
OR { 2675}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 3 and name HB3 ))
OR { 2675}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 19 and name HB2 ))
OR { 2675}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 3 and name HB3 ))
ASSI { 2682}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 6 and name HA ))
3.300 1.300 1.300 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 0.869 ppm2 4.068 CV 1
OR { 2682}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 6 and name HA ))
OR { 2682}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 6 and name HA ))
OR { 2682}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 12 and name HA ))
ASSI { 2687}
(( segid "A " and resid 37 and name HD23))
( segid "A " and resid 75 and name HD% )
3.600 1.600 1.600 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.23648E-02 ppm1 0.873 ppm2 6.926 CV 1
OR { 2687}
(( segid "A " and resid 37 and name HD22))
( segid "A " and resid 75 and name HD% )
OR { 2687}
(( segid "A " and resid 37 and name HD13))
( segid "A " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD23))
( segid "B " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD13))
( segid "B " and resid 75 and name HD% )
OR { 2687}
(( segid "A " and resid 37 and name HD21))
( segid "A " and resid 75 and name HD% )
OR { 2687}
(( segid "A " and resid 37 and name HD11))
( segid "A " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD22))
( segid "B " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD11))
( segid "B " and resid 75 and name HD% )
OR { 2687}
(( segid "A " and resid 37 and name HD12))
( segid "A " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD21))
( segid "B " and resid 75 and name HD% )
OR { 2687}
(( segid "B " and resid 37 and name HD12))
( segid "B " and resid 75 and name HD% )
ASSI { 2689}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 6 and name H ))
3.500 1.500 1.500 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 0.871 ppm2 7.097 CV 1
OR { 2689}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 6 and name H ))
OR { 2689}
(( segid "A " and resid 42 and name HD13))
( segid "A " and resid 78 and name HD% )
OR { 2689}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 6 and name H ))
ASSI { 2693}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 39 and name H ))
3.000 1.100 1.100 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.50547E-02 ppm1 0.873 ppm2 7.946 CV 1
OR { 2693}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 39 and name H ))
OR { 2693}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 39 and name H ))
OR { 2693}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 45 and name H ))
OR { 2693}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 45 and name H ))
ASSI { 2694}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 7 and name H ))
4.400 2.500 1.600 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.82607E-03 ppm1 0.869 ppm2 8.246 CV 1
OR { 2694}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 8 and name H ))
OR { 2694}
(( segid "A " and resid 42 and name HD11))
(( segid "B " and resid 8 and name H ))
OR { 2694}
(( segid "A " and resid 42 and name HD13))
(( segid "B " and resid 7 and name H ))
OR { 2694}
(( segid "A " and resid 42 and name HD12))
(( segid "B " and resid 7 and name H ))
ASSI { 2695}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 41 and name H ))
2.500 0.800 0.800 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.58438E-02 ppm1 0.874 ppm2 8.567 CV 1
OR { 2695}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 38 and name H ))
OR { 2695}
(( segid "A " and resid 42 and name HD12))
(( segid "A " and resid 41 and name H ))
OR { 2695}
(( segid "A " and resid 42 and name HD13))
(( segid "A " and resid 41 and name H ))
OR { 2695}
(( segid "A " and resid 42 and name HD11))
(( segid "A " and resid 38 and name H ))
ASSI { 2698}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 45 and name H ))
4.800 2.900 1.200 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.51306E-03 ppm1 0.709 ppm2 7.941 CV 1
OR { 2698}
(( segid "A " and resid 42 and name HD22))
(( segid "A " and resid 45 and name H ))
OR { 2698}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 45 and name H ))
OR { 2698}
(( segid "A " and resid 42 and name HD23))
(( segid "A " and resid 39 and name H ))
OR { 2698}
(( segid "A " and resid 42 and name HD21))
(( segid "A " and resid 39 and name H ))
ASSI { 2701}
(( segid "A " and resid 42 and name HD23))
( segid "A " and resid 78 and name HD% )
3.900 1.900 1.900 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.12912E-02 ppm1 0.706 ppm2 7.102 CV 1
OR { 2701}
(( segid "A " and resid 42 and name HD22))
( segid "A " and resid 78 and name HD% )
OR { 2701}
(( segid "A " and resid 42 and name HD21))
( segid "A " and resid 78 and name HD% )
OR { 2701}
(( segid "A " and resid 42 and name HD22))
(( segid "B " and resid 6 and name H ))
OR { 2701}
(( segid "A " and resid 42 and name HD23))
(( segid "B " and resid 6 and name H ))
ASSI { 2712}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 42 and name HB2 ))
3.300 1.400 1.400 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 5.518 ppm2 2.069 CV 1
OR { 2712}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 43 and name HG3 ))
ASSI { 2715}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 79 and name HD22))
3.400 1.500 1.500 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.33381E-02 ppm1 0.778 ppm2 0.470 CV 1
OR { 2715}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 79 and name HD21))
OR { 2715}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 82 and name HG13))
OR { 2715}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 79 and name HD22))
OR { 2715}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 79 and name HD22))
OR { 2715}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 82 and name HG13))
OR { 2715}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 79 and name HD23))
OR { 2715}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 79 and name HD21))
OR { 2715}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 79 and name HD21))
OR { 2715}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 82 and name HG13))
OR { 2715}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 79 and name HD23))
OR { 2715}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 79 and name HD23))
ASSI { 2716}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 82 and name HG13))
2.800 1.000 1.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.39709E-02 ppm1 0.683 ppm2 0.463 CV 1
OR { 2716}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 82 and name HG13))
OR { 2716}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 82 and name HG13))
OR { 2716}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 79 and name HD22))
OR { 2716}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 79 and name HD22))
OR { 2716}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 79 and name HD21))
OR { 2716}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 79 and name HD22))
OR { 2716}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 79 and name HD21))
OR { 2716}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 79 and name HD21))
OR { 2716}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 79 and name HD23))
OR { 2716}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 79 and name HD23))
ASSI { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD12))
2.400 0.700 0.700 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.97695E-02 ppm1 0.778 ppm2 1.044 CV 1
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD11))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD13))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HD12))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HD11))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "A " and resid 5 and name HD13))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HD12))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HD11))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD21))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD23))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "A " and resid 5 and name HD13))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD11))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD23))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD22))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD12))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD22))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "A " and resid 5 and name HD21))
OR { 2721}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name HD13))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 38 and name HD21))
OR { 2721}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 38 and name HD23))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 38 and name HD21))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 38 and name HD23))
OR { 2721}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 38 and name HD22))
ASSI { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "A " and resid 5 and name HD12))
2.300 0.700 0.700 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.11644E-01 ppm1 0.684 ppm2 1.040 CV 1
OR { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "A " and resid 5 and name HD11))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "A " and resid 5 and name HD12))
OR { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "A " and resid 5 and name HD13))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "A " and resid 5 and name HD11))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 38 and name HD21))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD21))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "A " and resid 5 and name HD12))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "A " and resid 5 and name HD13))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "A " and resid 5 and name HD11))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "A " and resid 5 and name HD13))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 38 and name HD23))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD23))
OR { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 38 and name HD21))
OR { 2722}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 38 and name HD22))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD22))
OR { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 38 and name HD23))
OR { 2722}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 38 and name HD22))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD11))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD13))
OR { 2722}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name HD12))
ASSI { 2737}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 45 and name HB3 ))
5.800 4.100 0.200 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.65896E-03 ppm1 0.782 ppm2 3.099 CV 1
OR { 2737}
(( segid "B " and resid 42 and name HD12))
(( segid "C " and resid 1928 and name HB2 ))
OR { 2737}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 45 and name HB3 ))
OR { 2737}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 45 and name HB3 ))
ASSI { 2747}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 45 and name HZ ))
5.200 3.400 0.800 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.65593E-03 ppm1 0.778 ppm2 7.200 CV 1
OR { 2747}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 45 and name HZ ))
OR { 2747}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 45 and name HZ ))
OR { 2747}
(( segid "B " and resid 42 and name HD12))
(( segid "C " and resid 1928 and name HZ ))
ASSI { 2750}
(( segid "B " and resid 42 and name HD11))
(( segid "B " and resid 41 and name H ))
3.500 1.600 1.600 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.63055E-03 ppm1 0.781 ppm2 8.513 CV 1
OR { 2750}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 38 and name H ))
OR { 2750}
(( segid "B " and resid 42 and name HD12))
(( segid "B " and resid 41 and name H ))
OR { 2750}
(( segid "B " and resid 42 and name HD13))
(( segid "B " and resid 41 and name H ))
ASSI { 2751}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 38 and name H ))
2.800 2.800 3.200 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 0.682 ppm2 8.521 CV 1
OR { 2751}
(( segid "B " and resid 42 and name HD21))
(( segid "B " and resid 38 and name H ))
OR { 2751}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 38 and name H ))
OR { 2751}
(( segid "B " and resid 42 and name HD23))
(( segid "B " and resid 41 and name H ))
OR { 2751}
(( segid "B " and resid 42 and name HD22))
(( segid "B " and resid 41 and name H ))
ASSI { 2760}
(( segid "B " and resid 41 and name HA ))
(( segid "B " and resid 42 and name HG ))
4.300 2.300 1.700 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.69754E-03 ppm1 4.934 ppm2 1.522 CV 1
OR { 2760}
(( segid "B " and resid 41 and name HA ))
(( segid "B " and resid 15 and name HG21))
OR { 2760}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 15 and name HG21))
OR { 2760}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 15 and name HG23))
OR { 2760}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 15 and name HG22))
ASSI { 2761}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 42 and name HD11))
4.200 2.200 1.800 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.69690E-03 ppm1 4.937 ppm2 0.876 CV 1
OR { 2761}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 42 and name HD13))
OR { 2761}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 42 and name HD12))
OR { 2761}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 37 and name HD21))
OR { 2761}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 37 and name HD22))
ASSI { 2785}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 39 and name HG23))
2.500 2.500 3.500 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 1.997 ppm2 1.359 CV 1
OR { 2785}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 39 and name HG22))
OR { 2785}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 39 and name HG21))
OR { 2785}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 39 and name HG23))
ASSI { 2786}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 39 and name HG23))
2.500 2.500 3.500 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 1.839 ppm2 1.355 CV 1
OR { 2786}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 39 and name HG22))
OR { 2786}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 39 and name HG21))
OR { 2786}
(( segid "B " and resid 40 and name HG3 ))
(( segid "B " and resid 18 and name HG2 ))
ASSI { 2788}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name HG2 ))
1.500 0.300 0.700 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.14341E-01 ppm1 2.002 ppm2 1.837 CV 1
OR { 2788}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 40 and name HG3 ))
ASSI { 2789}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 36 and name HG2 ))
2.900 1.100 1.100 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.16944E-02 ppm1 2.002 ppm2 2.497 CV 1
OR { 2789}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 36 and name HG2 ))
ASSI { 2790}
(( segid "B " and resid 40 and name HG2 ))
(( segid "B " and resid 36 and name HG3 ))
4.100 2.100 1.900 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 2.000 ppm2 2.430 CV 1
OR { 2790}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 36 and name HG3 ))
OR { 2790}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 2792}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 36 and name HG3 ))
4.300 2.300 1.700 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.88006E-03 ppm1 1.839 ppm2 2.434 CV 1
OR { 2792}
(( segid "B " and resid 40 and name HG3 ))
(( segid "B " and resid 41 and name HB2 ))
OR { 2792}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 2793}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 39 and name HG22))
2.400 2.400 3.600 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 3.400 ppm2 1.354 CV 1
OR { 2793}
(( segid "B " and resid 40 and name HD2 ))
(( segid "B " and resid 39 and name HG22))
OR { 2793}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 39 and name HG21))
OR { 2793}
(( segid "B " and resid 40 and name HD2 ))
(( segid "B " and resid 39 and name HG21))
OR { 2793}
(( segid "A " and resid 40 and name HD2 ))
(( segid "A " and resid 39 and name HG23))
OR { 2793}
(( segid "B " and resid 40 and name HD2 ))
(( segid "B " and resid 39 and name HG23))
OR { 2793}
(( segid "A " and resid 40 and name HD3 ))
(( segid "A " and resid 39 and name HG22))
OR { 2793}
(( segid "B " and resid 40 and name HD3 ))
(( segid "B " and resid 39 and name HG22))
OR { 2793}
(( segid "A " and resid 40 and name HD3 ))
(( segid "A " and resid 39 and name HG23))
OR { 2793}
(( segid "B " and resid 40 and name HD3 ))
(( segid "B " and resid 39 and name HG23))
ASSI { 2794}
(( segid "A " and resid 40 and name HG3 ))
( segid "A " and resid 19 and name HE% )
3.100 1.200 1.200 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 2.003 ppm2 6.849 CV 1
OR { 2794}
(( segid "B " and resid 40 and name HG2 ))
( segid "B " and resid 19 and name HE% )
ASSI { 2795}
(( segid "B " and resid 40 and name HG3 ))
( segid "B " and resid 19 and name HE% )
3.400 1.400 1.400 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.68105E-03 ppm1 1.830 ppm2 6.845 CV 1
OR { 2795}
(( segid "A " and resid 40 and name HG2 ))
( segid "A " and resid 19 and name HE% )
ASSI { 2807}
(( segid "A " and resid 40 and name HD3 ))
( segid "A " and resid 19 and name HD% )
2.600 2.600 3.400 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.89956E-03 ppm1 3.395 ppm2 7.410 CV 1
OR { 2807}
(( segid "B " and resid 40 and name HD3 ))
( segid "B " and resid 19 and name HD% )
OR { 2807}
(( segid "A " and resid 40 and name HD2 ))
( segid "A " and resid 19 and name HD% )
ASSI { 2808}
(( segid "A " and resid 40 and name HD3 ))
( segid "A " and resid 19 and name HE% )
2.900 1.100 1.100 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.47968E-02 ppm1 3.397 ppm2 6.850 CV 1
OR { 2808}
(( segid "B " and resid 40 and name HD3 ))
( segid "B " and resid 19 and name HE% )
ASSI { 2826}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HD12))
2.200 0.600 0.600 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.14144E-01 ppm1 1.357 ppm2 1.056 CV 1
OR { 2826}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HD11))
OR { 2826}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HD11))
OR { 2826}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HD13))
OR { 2826}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HD11))
OR { 2826}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HD12))
OR { 2826}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HD12))
OR { 2826}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HD13))
OR { 2826}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HD13))
OR { 2826}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 46 and name HD12))
OR { 2826}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 46 and name HD12))
ASSI { 2831}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 38 and name HB2 ))
3.400 1.400 1.400 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 1.354 ppm2 1.894 CV 1
OR { 2831}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 38 and name HB2 ))
OR { 2831}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 38 and name HB2 ))
OR { 2831}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 38 and name HG ))
OR { 2831}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 38 and name HG ))
OR { 2831}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 38 and name HG ))
OR { 2831}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 49 and name HB2 ))
OR { 2831}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 49 and name HB2 ))
OR { 2831}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 49 and name HB2 ))
ASSI { 2832}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HB3 ))
3.500 1.500 1.500 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.29913E-02 ppm1 1.355 ppm2 1.839 CV 1
OR { 2832}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HB3 ))
OR { 2832}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HB3 ))
OR { 2832}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HB2 ))
OR { 2832}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HB2 ))
OR { 2832}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HB2 ))
OR { 2832}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HG3 ))
OR { 2832}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HG3 ))
ASSI { 2833}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 38 and name HB3 ))
3.000 1.100 1.100 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.48620E-02 ppm1 1.359 ppm2 1.999 CV 1
OR { 2833}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 38 and name HB3 ))
OR { 2833}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 38 and name HB3 ))
OR { 2833}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HG2 ))
OR { 2833}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HG2 ))
OR { 2833}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HG2 ))
OR { 2833}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 46 and name HG ))
OR { 2833}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 46 and name HG ))
OR { 2833}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 46 and name HG ))
ASSI { 2834}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 36 and name HB3 ))
3.300 1.300 1.300 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.18784E-02 ppm1 1.357 ppm2 2.198 CV 1
OR { 2834}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 36 and name HB3 ))
OR { 2834}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 36 and name HB3 ))
OR { 2834}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HB2 ))
OR { 2834}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HB2 ))
OR { 2834}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HB2 ))
ASSI { 2835}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 36 and name HG3 ))
4.300 2.300 1.700 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.90434E-03 ppm1 1.356 ppm2 2.428 CV 1
OR { 2835}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 36 and name HG3 ))
OR { 2835}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 36 and name HG3 ))
OR { 2835}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 43 and name HB2 ))
OR { 2835}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 43 and name HB2 ))
OR { 2835}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 43 and name HB2 ))
ASSI { 2842}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 40 and name HA ))
3.500 1.600 1.600 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.25339E-02 ppm1 1.354 ppm2 4.431 CV 1
OR { 2842}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 40 and name HA ))
OR { 2842}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HA ))
OR { 2842}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 40 and name HA ))
OR { 2842}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 40 and name HA ))
OR { 2842}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 40 and name HA ))
OR { 2842}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 50 and name HA ))
ASSI { 2846}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 50 and name HB ))
4.100 2.100 1.900 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.357 ppm2 4.342 CV 1
OR { 2846}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 50 and name HB ))
OR { 2846}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 50 and name HB ))
OR { 2846}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 43 and name HA ))
OR { 2846}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 43 and name HA ))
ASSI { 2847}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 50 and name HB ))
3.500 1.500 1.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.24147E-02 ppm1 1.353 ppm2 4.464 CV 1
OR { 2847}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 50 and name HB ))
OR { 2847}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 50 and name HB ))
OR { 2847}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 40 and name HA ))
OR { 2847}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 46 and name HA ))
OR { 2847}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 46 and name HA ))
OR { 2847}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 46 and name HA ))
ASSI { 2853}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 38 and name H ))
4.400 2.500 1.600 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.66784E-03 ppm1 3.901 ppm2 8.569 CV 1
OR { 2853}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 41 and name H ))
OR { 2853}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 48 and name H ))
ASSI { 2856}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 38 and name H ))
3.700 1.700 1.700 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.18667E-02 ppm1 1.353 ppm2 8.563 CV 1
OR { 2856}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 38 and name H ))
OR { 2856}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 38 and name H ))
OR { 2856}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 48 and name H ))
OR { 2856}
(( segid "A " and resid 39 and name HG22))
(( segid "A " and resid 48 and name H ))
OR { 2856}
(( segid "A " and resid 39 and name HG23))
(( segid "A " and resid 48 and name H ))
OR { 2856}
(( segid "A " and resid 39 and name HG21))
(( segid "A " and resid 47 and name H ))
ASSI { 2872}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 43 and name HB3 ))
3.600 1.700 1.700 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.89630E-03 ppm1 3.979 ppm2 2.002 CV 1
OR { 2872}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 38 and name HB3 ))
OR { 2872}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 46 and name HG ))
OR { 2872}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 40 and name HG2 ))
ASSI { 2874}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 38 and name HB2 ))
3.500 1.500 1.500 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 1.363 ppm2 1.719 CV 1
OR { 2874}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 38 and name HB2 ))
OR { 2874}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 38 and name HB2 ))
OR { 2874}
(( segid "B " and resid 39 and name HG23))
(( segid "B " and resid 35 and name HB2 ))
OR { 2874}
(( segid "B " and resid 39 and name HG22))
(( segid "B " and resid 35 and name HB2 ))
OR { 2874}
(( segid "B " and resid 39 and name HG21))
(( segid "B " and resid 35 and name HB2 ))
ASSI { 2876}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 42 and name HD12))
2.100 0.600 0.600 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 3.807 ppm2 0.872 CV 1
OR { 2876}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 42 and name HD11))
OR { 2876}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 42 and name HD13))
OR { 2876}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 37 and name HD21))
ASSI { 2890}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 42 and name HD12))
3.000 1.200 1.200 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 1.903 ppm2 0.874 CV 1
OR { 2890}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 37 and name HD21))
OR { 2890}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 42 and name HD13))
OR { 2890}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 37 and name HD22))
OR { 2890}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 42 and name HD11))
ASSI { 2904}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 39 and name H ))
4.200 2.200 1.800 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.81436E-03 ppm1 1.900 ppm2 7.941 CV 1
OR { 2904}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 37 and name H ))
OR { 2904}
(( segid "A " and resid 38 and name HG ))
(( segid "A " and resid 45 and name H ))
ASSI { 2922}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 39 and name HA ))
4.500 2.600 1.500 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.83431E-03 ppm1 1.003 ppm2 3.893 CV 1
OR { 2922}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 39 and name HA ))
OR { 2922}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 39 and name HA ))
OR { 2922}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 36 and name HA ))
ASSI { 2927}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 46 and name HA ))
4.100 2.100 1.900 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.90737E-03 ppm1 0.928 ppm2 4.468 CV 1
OR { 2927}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 46 and name HA ))
OR { 2927}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 46 and name HA ))
OR { 2927}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 45 and name HA ))
OR { 2927}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 50 and name HB ))
OR { 2927}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 50 and name HB ))
OR { 2927}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 50 and name HB ))
ASSI { 2928}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 55 and name HA ))
4.200 2.200 1.800 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 0.927 ppm2 4.251 CV 1
OR { 2928}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 55 and name HA ))
OR { 2928}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 55 and name HA ))
OR { 2928}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 44 and name HA ))
OR { 2928}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 39 and name HB ))
OR { 2928}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 44 and name HA ))
OR { 2928}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 47 and name HA2 ))
OR { 2928}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 39 and name HB ))
OR { 2928}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 39 and name HB ))
OR { 2928}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 47 and name HA2 ))
OR { 2928}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 47 and name HA2 ))
ASSI { 2930}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 39 and name HA ))
4.700 2.700 1.300 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.69796E-03 ppm1 0.930 ppm2 3.893 CV 1
OR { 2930}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 39 and name HA ))
OR { 2930}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 39 and name HA ))
OR { 2930}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 59 and name HA ))
ASSI { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD12))
3.100 1.200 1.200 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.51067E-02 ppm1 1.004 ppm2 0.867 CV 1
OR { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 37 and name HD21))
OR { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 37 and name HD23))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HD12))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD12))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 37 and name HD21))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 37 and name HD23))
OR { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 37 and name HD22))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 37 and name HD21))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 37 and name HD23))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 37 and name HD22))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 37 and name HD22))
OR { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD13))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HD12))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HD13))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HD11))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD13))
OR { 2931}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HD11))
OR { 2931}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 42 and name HD11))
OR { 2931}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HD11))
ASSI { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HD21))
2.200 0.600 0.600 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.97433E-02 ppm1 1.004 ppm2 0.786 CV 1
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HD22))
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HD21))
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 58 and name HD21))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 58 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 58 and name HD21))
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 58 and name HD22))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 58 and name HD23))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HD21))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 58 and name HD22))
OR { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HD21))
OR { 2932}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HD22))
OR { 2932}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HD22))
OR { 2932}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HD22))
ASSI { 2934}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HB3 ))
3.000 1.100 1.100 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.13836E-02 ppm1 1.008 ppm2 1.373 CV 1
OR { 2934}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HB3 ))
OR { 2934}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HB3 ))
OR { 2934}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 58 and name HG ))
OR { 2934}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 58 and name HG ))
ASSI { 2936}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 34 and name HG ))
3.500 1.500 1.500 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.36545E-02 ppm1 1.004 ppm2 1.544 CV 1
OR { 2936}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 34 and name HG ))
OR { 2936}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 34 and name HG ))
OR { 2936}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 42 and name HG ))
OR { 2936}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 42 and name HG ))
ASSI { 2941}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 42 and name HG ))
3.200 1.300 1.300 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.65115E-02 ppm1 0.928 ppm2 1.542 CV 1
OR { 2941}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 42 and name HG ))
OR { 2941}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 42 and name HG ))
OR { 2941}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 34 and name HG ))
ASSI { 2942}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 34 and name HB3 ))
3.600 1.700 1.700 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.30065E-02 ppm1 0.929 ppm2 1.379 CV 1
OR { 2942}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 58 and name HG ))
OR { 2942}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 34 and name HB3 ))
OR { 2942}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 34 and name HB3 ))
OR { 2942}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 58 and name HG ))
OR { 2942}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 58 and name HG ))
ASSI { 2944}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 58 and name HD22))
2.300 0.700 0.700 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.12381E-01 ppm1 0.928 ppm2 0.789 CV 1
OR { 2944}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 58 and name HD23))
OR { 2944}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 58 and name HD21))
OR { 2944}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 58 and name HD22))
OR { 2944}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 58 and name HD21))
OR { 2944}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 58 and name HD23))
OR { 2944}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 58 and name HD22))
OR { 2944}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 58 and name HD23))
OR { 2944}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 58 and name HD21))
OR { 2944}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 34 and name HD23))
OR { 2944}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 34 and name HD23))
OR { 2944}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 34 and name HD23))
ASSI { 2947}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 62 and name HD21))
3.800 1.800 1.800 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.11493E-02 ppm1 1.005 ppm2 0.290 CV 1
OR { 2947}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 62 and name HD21))
OR { 2947}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 62 and name HD23))
OR { 2947}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 62 and name HD22))
OR { 2947}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 62 and name HD23))
OR { 2947}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 62 and name HD21))
OR { 2947}
(( segid "A " and resid 38 and name HD13))
(( segid "A " and resid 62 and name HD22))
OR { 2947}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 62 and name HD22))
OR { 2947}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 62 and name HD23))
OR { 2947}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 29 and name HD23))
OR { 2947}
(( segid "A " and resid 38 and name HD11))
(( segid "A " and resid 29 and name HD22))
OR { 2947}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 29 and name HD23))
OR { 2947}
(( segid "A " and resid 38 and name HD12))
(( segid "A " and resid 29 and name HD22))
ASSI { 2949}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 62 and name HD21))
4.100 2.100 1.900 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.97847E-03 ppm1 0.926 ppm2 0.286 CV 1
OR { 2949}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 62 and name HD21))
OR { 2949}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 62 and name HD23))
OR { 2949}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 62 and name HD23))
OR { 2949}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 62 and name HD22))
OR { 2949}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 62 and name HD21))
OR { 2949}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 62 and name HD22))
OR { 2949}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 62 and name HD23))
OR { 2949}
(( segid "A " and resid 38 and name HD23))
(( segid "A " and resid 62 and name HD22))
OR { 2949}
(( segid "A " and resid 38 and name HD21))
(( segid "A " and resid 29 and name HD22))
OR { 2949}
(( segid "A " and resid 38 and name HD22))
(( segid "A " and resid 29 and name HD22))
ASSI { 2959}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 37 and name HD21))
3.000 1.100 1.100 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.20707E-02 ppm1 2.068 ppm2 0.851 CV 1
OR { 2959}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 37 and name HD23))
OR { 2959}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 37 and name HD22))
OR { 2959}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 34 and name HD23))
OR { 2959}
(( segid "B " and resid 38 and name HG ))
(( segid "B " and resid 34 and name HD21))
ASSI { 2973}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 31 and name HA ))
4.500 2.600 1.500 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.64899E-03 ppm1 1.037 ppm2 4.092 CV 1
OR { 2973}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 31 and name HA ))
OR { 2973}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 31 and name HA ))
OR { 2973}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 55 and name HA ))
OR { 2973}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 55 and name HA ))
ASSI { 2976}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 39 and name HA ))
4.200 2.200 1.800 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.10992E-02 ppm1 1.040 ppm2 3.985 CV 1
OR { 2976}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 39 and name HA ))
OR { 2976}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 39 and name HA ))
OR { 2976}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 34 and name HA ))
OR { 2976}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 34 and name HA ))
ASSI { 2985}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 35 and name H ))
3.900 1.900 1.900 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.12173E-02 ppm1 1.040 ppm2 8.011 CV 1
OR { 2985}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 35 and name H ))
OR { 2985}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 35 and name H ))
OR { 2985}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 50 and name H ))
ASSI { 2986}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 35 and name H ))
4.900 3.000 1.100 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.62015E-03 ppm1 1.042 ppm2 8.025 CV 1
OR { 2986}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 35 and name H ))
OR { 2986}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 35 and name H ))
OR { 2986}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1930 and name H ))
OR { 2986}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1930 and name H ))
ASSI { 3000}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 42 and name HB3 ))
4.100 2.100 1.900 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.15305E-02 ppm1 1.039 ppm2 1.923 CV 1
OR { 3000}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 42 and name HB3 ))
OR { 3000}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 42 and name HB3 ))
OR { 3000}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HB3 ))
OR { 3000}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 58 and name HB3 ))
OR { 3000}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 58 and name HB3 ))
OR { 3000}
(( segid "B " and resid 38 and name HD13))
(( segid "C " and resid 1927 and name HB2 ))
OR { 3000}
(( segid "B " and resid 38 and name HD12))
(( segid "C " and resid 1927 and name HB2 ))
ASSI { 3002}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 42 and name HB3 ))
2.800 1.000 1.000 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 1.040 ppm2 1.925 CV 1
OR { 3002}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 42 and name HB3 ))
OR { 3002}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 42 and name HB3 ))
OR { 3002}
(( segid "B " and resid 38 and name HD21))
(( segid "A " and resid 9 and name HG ))
OR { 3002}
(( segid "B " and resid 38 and name HD22))
(( segid "A " and resid 9 and name HG ))
ASSI { 3005}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 82 and name HB ))
3.900 1.900 1.900 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 1.039 ppm2 1.645 CV 1
OR { 3005}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 82 and name HB ))
OR { 3005}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 82 and name HB ))
OR { 3005}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 34 and name HG ))
OR { 3005}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 34 and name HG ))
ASSI { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 58 and name HD22))
2.500 0.800 0.800 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.15691E-01 ppm1 1.039 ppm2 0.850 CV 1
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 58 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 58 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 58 and name HD22))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 58 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 58 and name HD22))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 58 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 58 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 58 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 34 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 34 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 37 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 37 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 34 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 37 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 37 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 34 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 34 and name HD23))
OR { 3006}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 37 and name HD22))
OR { 3006}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 34 and name HD21))
OR { 3006}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 34 and name HD22))
ASSI { 3011}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 82 and name HG13))
3.900 1.900 1.900 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.11792E-02 ppm1 1.035 ppm2 0.459 CV 1
OR { 3011}
(( segid "B " and resid 38 and name HD22))
(( segid "B " and resid 82 and name HG13))
OR { 3011}
(( segid "B " and resid 38 and name HD23))
(( segid "B " and resid 82 and name HG13))
OR { 3011}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 79 and name HD22))
ASSI { 3013}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD12))
2.900 1.100 1.100 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.47797E-02 ppm1 1.039 ppm2 0.900 CV 1
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD12))
OR { 3013}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD13))
OR { 3013}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD12))
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD13))
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD13))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HD12))
OR { 3013}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HD13))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 58 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 58 and name HD11))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 58 and name HD13))
OR { 3013}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 58 and name HD12))
ASSI { 3014}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD23))
2.100 0.600 0.600 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.16107E-01 ppm1 1.039 ppm2 0.840 CV 1
OR { 3014}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD21))
OR { 3014}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD23))
OR { 3014}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD23))
OR { 3014}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD21))
OR { 3014}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD21))
OR { 3014}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HD22))
OR { 3014}
(( segid "B " and resid 38 and name HD11))
(( segid "B " and resid 34 and name HD22))
OR { 3014}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 58 and name HD22))
OR { 3014}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 58 and name HD21))
OR { 3014}
(( segid "B " and resid 38 and name HD12))
(( segid "B " and resid 34 and name HD22))
OR { 3014}
(( segid "B " and resid 38 and name HD13))
(( segid "B " and resid 34 and name HD22))
ASSI { 3015}
(( segid "B " and resid 38 and name HD22))
(( segid "C " and resid 1928 and name HB2 ))
3.500 1.500 1.500 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.87786E-03 ppm1 1.042 ppm2 3.090 CV 1
OR { 3015}
(( segid "B " and resid 38 and name HD23))
(( segid "C " and resid 1928 and name HB2 ))
OR { 3015}
(( segid "B " and resid 38 and name HD21))
(( segid "C " and resid 1928 and name HB2 ))
OR { 3015}
(( segid "B " and resid 38 and name HD21))
(( segid "B " and resid 45 and name HB3 ))
ASSI { 3017}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 38 and name H ))
3.500 1.500 1.500 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 2.594 ppm2 8.536 CV 1
OR { 3017}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 38 and name H ))
ASSI { 3018}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name H ))
2.600 0.900 0.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.36177E-02 ppm1 2.596 ppm2 7.943 CV 1
OR { 3018}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name H ))
ASSI { 3019}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 19 and name HD% )
3.700 1.700 1.700 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.76234E-03 ppm1 2.597 ppm2 7.411 CV 1
OR { 3019}
(( segid "B " and resid 37 and name HA ))
( segid "B " and resid 19 and name HD% )
ASSI { 3021}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 41 and name HB2 ))
3.600 1.700 1.700 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.97346E-03 ppm1 2.597 ppm2 2.425 CV 1
OR { 3021}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 41 and name HB2 ))
OR { 3021}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 36 and name HG3 ))
ASSI { 3022}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.15828E-02 ppm1 2.597 ppm2 2.195 CV 1
OR { 3022}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 40 and name HB2 ))
OR { 3022}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 36 and name HB3 ))
OR { 3022}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 36 and name HB3 ))
OR { 3022}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
ASSI { 3023}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 40 and name HG2 ))
4.100 2.100 1.900 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.73567E-03 ppm1 2.597 ppm2 1.998 CV 1
OR { 3023}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 40 and name HG3 ))
OR { 3023}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 40 and name HB3 ))
OR { 3023}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 3024}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HB2 ))
2.700 0.900 0.900 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.18251E-02 ppm1 2.595 ppm2 1.689 CV 1
OR { 3024}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HB2 ))
ASSI { 3025}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 15 and name HG23))
4.100 2.100 1.900 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.91473E-03 ppm1 2.596 ppm2 1.530 CV 1
OR { 3025}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 15 and name HG23))
OR { 3025}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 15 and name HG22))
OR { 3025}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 15 and name HG22))
OR { 3025}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 15 and name HG21))
OR { 3025}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 15 and name HG21))
ASSI { 3026}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HG ))
2.400 0.700 0.700 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.29739E-02 ppm1 2.596 ppm2 1.312 CV 1
OR { 3026}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HG ))
ASSI { 3028}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HD21))
3.700 1.700 1.700 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 2.594 ppm2 0.871 CV 1
OR { 3028}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HD21))
OR { 3028}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HD23))
OR { 3028}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HD23))
OR { 3028}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HD22))
ASSI { 3029}
(( segid "B " and resid 37 and name HA ))
(( segid "B " and resid 37 and name HB3 ))
3.200 1.300 1.300 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.14707E-02 ppm1 2.596 ppm2 1.143 CV 1
OR { 3029}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 3031}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 37 and name HD23))
3.600 1.600 1.600 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 1.675 ppm2 0.859 CV 1
OR { 3031}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HD23))
OR { 3031}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 37 and name HD21))
OR { 3031}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HD21))
OR { 3031}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 37 and name HD22))
ASSI { 3032}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HB3 ))
2.300 0.700 0.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.87919E-03 ppm1 1.670 ppm2 1.149 CV 1
OR { 3032}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 37 and name HB3 ))
ASSI { 3033}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 37 and name HG ))
3.400 1.400 1.400 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.64030E-03 ppm1 1.671 ppm2 1.312 CV 1
OR { 3033}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HG ))
ASSI { 3035}
(( segid "B " and resid 37 and name HB2 ))
(( segid "B " and resid 38 and name H ))
4.300 2.300 1.700 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.66090E-03 ppm1 1.670 ppm2 8.543 CV 1
OR { 3035}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 38 and name H ))
ASSI { 3040}
(( segid "B " and resid 37 and name HG ))
( segid "B " and resid 19 and name HD% )
4.000 2.000 2.000 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.58309E-03 ppm1 1.321 ppm2 7.412 CV 1
OR { 3040}
(( segid "A " and resid 37 and name HG ))
( segid "A " and resid 19 and name HD% )
ASSI { 3041}
(( segid "B " and resid 37 and name HG ))
( segid "B " and resid 19 and name HE% )
3.900 1.900 1.900 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.60369E-03 ppm1 1.313 ppm2 6.844 CV 1
OR { 3041}
(( segid "A " and resid 37 and name HG ))
( segid "A " and resid 19 and name HE% )
ASSI { 3042}
(( segid "B " and resid 37 and name HG ))
(( segid "B " and resid 37 and name H ))
4.600 2.600 1.400 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.64660E-03 ppm1 1.316 ppm2 7.946 CV 1
OR { 3042}
(( segid "A " and resid 37 and name HG ))
(( segid "A " and resid 37 and name H ))
ASSI { 3043}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 37 and name H ))
3.400 1.400 1.400 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.49617E-02 ppm1 0.912 ppm2 7.943 CV 1
OR { 3043}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 37 and name H ))
OR { 3043}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 37 and name H ))
OR { 3043}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 37 and name H ))
OR { 3043}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 37 and name H ))
OR { 3043}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 37 and name H ))
ASSI { 3046}
(( segid "A " and resid 37 and name HD13))
( segid "A " and resid 75 and name HD% )
3.500 1.600 1.600 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.28331E-02 ppm1 0.912 ppm2 6.917 CV 1
OR { 3046}
(( segid "B " and resid 37 and name HD13))
( segid "B " and resid 75 and name HD% )
OR { 3046}
(( segid "A " and resid 37 and name HD11))
( segid "A " and resid 75 and name HD% )
OR { 3046}
(( segid "B " and resid 37 and name HD11))
( segid "B " and resid 75 and name HD% )
OR { 3046}
(( segid "B " and resid 37 and name HD12))
( segid "B " and resid 75 and name HD% )
ASSI { 3047}
(( segid "B " and resid 37 and name HD12))
( segid "B " and resid 19 and name HE% )
2.800 1.000 1.000 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.51112E-02 ppm1 0.912 ppm2 6.851 CV 1
OR { 3047}
(( segid "A " and resid 37 and name HD12))
( segid "A " and resid 19 and name HE% )
OR { 3047}
(( segid "B " and resid 37 and name HD11))
( segid "B " and resid 19 and name HE% )
OR { 3047}
(( segid "B " and resid 37 and name HD13))
( segid "B " and resid 19 and name HE% )
ASSI { 3052}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 19 and name HB2 ))
2.500 0.800 0.800 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.36871E-02 ppm1 0.912 ppm2 2.938 CV 1
OR { 3052}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 19 and name HB2 ))
OR { 3052}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 19 and name HB2 ))
OR { 3052}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 19 and name HB2 ))
OR { 3052}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 19 and name HB2 ))
ASSI { 3053}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 16 and name HB2 ))
3.000 3.000 3.000 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 0.913 ppm2 3.046 CV 1
OR { 3053}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 16 and name HB2 ))
OR { 3053}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 16 and name HB2 ))
OR { 3053}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 75 and name HB3 ))
OR { 3053}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 75 and name HB3 ))
OR { 3053}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 75 and name HB3 ))
OR { 3053}
(( segid "B " and resid 37 and name HD13))
(( segid "C " and resid 1928 and name HB3 ))
ASSI { 3054}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 37 and name HA ))
2.900 1.100 1.100 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.60065E-02 ppm1 0.912 ppm2 2.600 CV 1
OR { 3054}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 37 and name HA ))
OR { 3054}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 37 and name HA ))
OR { 3054}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 37 and name HA ))
OR { 3054}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 37 and name HA ))
ASSI { 3055}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 19 and name HB3 ))
3.200 1.300 1.300 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.43199E-02 ppm1 0.912 ppm2 2.353 CV 1
OR { 3055}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 19 and name HB3 ))
OR { 3055}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 19 and name HB3 ))
OR { 3055}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 19 and name HB3 ))
OR { 3055}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 19 and name HB3 ))
ASSI { 3056}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 41 and name HB2 ))
3.400 1.400 1.400 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 0.914 ppm2 2.420 CV 1
OR { 3056}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 41 and name HB2 ))
OR { 3056}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 41 and name HB2 ))
OR { 3056}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 41 and name HB2 ))
OR { 3056}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 41 and name HB2 ))
OR { 3056}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 41 and name HB2 ))
OR { 3056}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 36 and name HG3 ))
ASSI { 3057}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 36 and name HB3 ))
3.900 1.900 1.900 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.31192E-02 ppm1 0.912 ppm2 2.196 CV 1
OR { 3057}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 36 and name HB3 ))
OR { 3057}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 40 and name HB2 ))
OR { 3057}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 36 and name HB3 ))
OR { 3057}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 36 and name HB3 ))
OR { 3057}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 36 and name HB3 ))
OR { 3057}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 36 and name HB3 ))
OR { 3057}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 36 and name HB2 ))
OR { 3057}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 41 and name HB3 ))
OR { 3057}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 36 and name HB2 ))
OR { 3057}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 36 and name HB2 ))
OR { 3057}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 36 and name HB2 ))
OR { 3057}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 36 and name HB2 ))
OR { 3057}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 36 and name HB2 ))
ASSI { 3058}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD22))
2.400 0.700 0.700 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.77926E-02 ppm1 0.911 ppm2 0.286 CV 1
OR { 3058}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD22))
OR { 3058}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD21))
OR { 3058}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD21))
OR { 3058}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 29 and name HD22))
OR { 3058}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD22))
OR { 3058}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 29 and name HD21))
OR { 3058}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD21))
OR { 3058}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 29 and name HD23))
OR { 3058}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD23))
OR { 3058}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 29 and name HD23))
OR { 3058}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD23))
OR { 3058}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 29 and name HD22))
OR { 3058}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 29 and name HD22))
OR { 3058}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 29 and name HD21))
ASSI { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD11))
2.700 0.900 0.900 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.69147E-02 ppm1 0.909 ppm2 0.756 CV 1
OR { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD12))
OR { 3059}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 29 and name HD11))
OR { 3059}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD11))
OR { 3059}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD12))
OR { 3059}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 29 and name HD12))
OR { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 34 and name HD21))
OR { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 34 and name HD22))
OR { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 29 and name HD13))
OR { 3059}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 34 and name HD21))
OR { 3059}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 34 and name HD21))
OR { 3059}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 29 and name HD13))
OR { 3059}
(( segid "A " and resid 37 and name HD13))
(( segid "A " and resid 34 and name HD23))
OR { 3059}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 29 and name HD13))
ASSI { 3062}
(( segid "B " and resid 37 and name HD11))
(( segid "B " and resid 37 and name HG ))
2.100 0.500 0.500 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.92600E-02 ppm1 0.913 ppm2 1.313 CV 1
OR { 3062}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 37 and name HG ))
OR { 3062}
(( segid "B " and resid 37 and name HD12))
(( segid "B " and resid 37 and name HG ))
OR { 3062}
(( segid "A " and resid 37 and name HD12))
(( segid "A " and resid 37 and name HG ))
OR { 3062}
(( segid "B " and resid 37 and name HD13))
(( segid "B " and resid 37 and name HG ))
ASSI { 3063}
(( segid "A " and resid 37 and name HD11))
(( segid "A " and resid 15 and name HG23))
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ASSI { 3305}
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(( segid "A " and resid 63 and name H ))
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3.800 1.800 1.800 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.16781E-02 ppm1 3.984 ppm2 0.912 CV 1
OR { 3334}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HD11))
OR { 3334}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HD13))
OR { 3334}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 37 and name HD13))
OR { 3334}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 37 and name HD12))
ASSI { 3346}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 59 and name HG2 ))
4.200 2.200 1.800 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.12589E-02 ppm1 0.911 ppm2 2.604 CV 1
OR { 3346}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 59 and name HG2 ))
OR { 3346}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 59 and name HG2 ))
OR { 3346}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 74 and name HG3 ))
OR { 3346}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 74 and name HG3 ))
OR { 3346}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 74 and name HG3 ))
ASSI { 3357}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 38 and name HD11))
3.300 1.400 1.400 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.25859E-02 ppm1 0.911 ppm2 1.040 CV 1
OR { 3357}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 38 and name HD13))
OR { 3357}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 38 and name HD11))
OR { 3357}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 38 and name HD11))
OR { 3357}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 38 and name HD12))
OR { 3357}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 38 and name HD13))
OR { 3357}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 38 and name HD13))
OR { 3357}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 38 and name HD12))
OR { 3357}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 38 and name HD12))
OR { 3357}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 38 and name HD22))
OR { 3357}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 38 and name HD22))
OR { 3357}
(( segid "B " and resid 34 and name HD12))
(( segid "B " and resid 50 and name HG22))
OR { 3357}
(( segid "B " and resid 34 and name HD11))
(( segid "B " and resid 50 and name HG22))
OR { 3357}
(( segid "B " and resid 34 and name HD13))
(( segid "B " and resid 50 and name HG22))
ASSI { 3365}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 37 and name H ))
4.200 2.200 1.800 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 0.856 ppm2 7.941 CV 1
OR { 3365}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 37 and name H ))
OR { 3365}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 37 and name H ))
OR { 3365}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 39 and name H ))
ASSI { 3373}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 70 and name HB ))
3.500 1.500 1.500 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.18680E-02 ppm1 0.851 ppm2 2.245 CV 1
OR { 3373}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 70 and name HB ))
OR { 3373}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 70 and name HB ))
OR { 3373}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 3382}
(( segid "B " and resid 34 and name HD21))
(( segid "B " and resid 37 and name HA ))
4.600 2.600 1.400 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.81284E-03 ppm1 0.855 ppm2 2.597 CV 1
OR { 3382}
(( segid "B " and resid 34 and name HD22))
(( segid "B " and resid 37 and name HA ))
OR { 3382}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 37 and name HA ))
OR { 3382}
(( segid "B " and resid 34 and name HD23))
(( segid "B " and resid 59 and name HG2 ))
ASSI { 3388}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 29 and name HD23))
3.800 1.800 1.800 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.13144E-02 ppm1 4.071 ppm2 0.281 CV 1
OR { 3388}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 29 and name HD23))
OR { 3388}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 29 and name HD21))
OR { 3388}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 29 and name HD21))
OR { 3388}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 29 and name HD22))
ASSI { 3389}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 35 and name HG2 ))
4.800 2.900 1.200 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.65028E-03 ppm1 4.072 ppm2 0.912 CV 1
OR { 3389}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 37 and name HD12))
OR { 3389}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 37 and name HD12))
OR { 3389}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 37 and name HD13))
OR { 3389}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 37 and name HD13))
OR { 3389}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 37 and name HD11))
OR { 3389}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 37 and name HD11))
OR { 3389}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 34 and name HD11))
OR { 3389}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 34 and name HD12))
ASSI { 3391}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 33 and name HG3 ))
3.300 1.400 1.400 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.28894E-02 ppm1 4.072 ppm2 2.425 CV 1
OR { 3391}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HG3 ))
ASSI { 3392}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
2.600 0.800 0.800 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.43654E-02 ppm1 4.074 ppm2 2.207 CV 1
OR { 3392}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 36 and name HB2 ))
OR { 3392}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 36 and name HB3 ))
OR { 3392}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 36 and name HB3 ))
ASSI { 3393}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 36 and name H ))
3.200 1.200 1.200 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 4.080 ppm2 7.849 CV 1
OR { 3393}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 36 and name H ))
ASSI { 3395}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 34 and name H ))
3.400 1.400 1.400 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.12804E-02 ppm1 4.067 ppm2 8.927 CV 1
OR { 3395}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 34 and name H ))
ASSI { 3397}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 30 and name H ))
4.800 2.900 1.200 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.75844E-03 ppm1 4.069 ppm2 9.611 CV 1
OR { 3397}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 30 and name H ))
ASSI { 3402}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 29 and name HD23))
4.100 2.100 1.900 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.76386E-03 ppm1 2.234 ppm2 0.274 CV 1
OR { 3402}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 29 and name HD23))
OR { 3402}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 29 and name HD21))
OR { 3402}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 29 and name HD21))
OR { 3402}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 29 and name HD22))
ASSI { 3408}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 34 and name H ))
4.100 2.100 1.900 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.61127E-03 ppm1 4.154 ppm2 8.917 CV 1
OR { 3408}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 34 and name H ))
ASSI { 3413}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 36 and name H ))
3.900 1.900 1.900 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.87266E-03 ppm1 4.153 ppm2 7.843 CV 1
OR { 3413}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 36 and name H ))
ASSI { 3421}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 31 and name HB2 ))
3.500 1.600 1.600 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.19862E-02 ppm1 3.997 ppm2 1.900 CV 1
OR { 3421}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 31 and name HB2 ))
OR { 3421}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 31 and name HB2 ))
OR { 3421}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 31 and name HB2 ))
OR { 3421}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 31 and name HB3 ))
ASSI { 3422}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 35 and name HB2 ))
4.000 2.000 2.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 3.999 ppm2 1.782 CV 1
OR { 3422}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 35 and name HB2 ))
OR { 3422}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 31 and name HD2 ))
OR { 3422}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 31 and name HD2 ))
OR { 3422}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 31 and name HD3 ))
ASSI { 3423}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 33 and name HG2 ))
3.100 1.200 1.200 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.20551E-02 ppm1 3.997 ppm2 2.518 CV 1
OR { 3423}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 33 and name HG2 ))
OR { 3423}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 33 and name HG2 ))
OR { 3423}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 3424}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 33 and name HG3 ))
4.000 2.000 2.000 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 3.999 ppm2 2.430 CV 1
OR { 3424}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 33 and name HG3 ))
OR { 3424}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 33 and name HG3 ))
OR { 3424}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 33 and name HG3 ))
ASSI { 3425}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 30 and name HD22))
3.600 1.600 1.600 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.11651E-02 ppm1 4.005 ppm2 7.448 CV 1
OR { 3425}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 30 and name HD22))
OR { 3425}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 30 and name HD22))
OR { 3425}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 30 and name HD22))
ASSI { 3426}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 30 and name HD21))
3.800 1.800 1.800 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 3.999 ppm2 7.600 CV 1
OR { 3426}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 30 and name HD21))
OR { 3426}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 30 and name HD21))
OR { 3426}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 30 and name HD21))
ASSI { 3429}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 33 and name H ))
2.500 0.800 0.800 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.78552E-02 ppm1 3.998 ppm2 8.692 CV 1
OR { 3429}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 33 and name H ))
OR { 3429}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 33 and name H ))
OR { 3429}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 33 and name H ))
ASSI { 3430}
(( segid "B " and resid 32 and name HB3 ))
(( segid "B " and resid 34 and name H ))
4.100 2.100 1.900 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.14360E-02 ppm1 4.001 ppm2 8.924 CV 1
OR { 3430}
(( segid "A " and resid 32 and name HB3 ))
(( segid "A " and resid 34 and name H ))
OR { 3430}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 34 and name H ))
OR { 3430}
(( segid "A " and resid 32 and name HB2 ))
(( segid "A " and resid 34 and name H ))
ASSI { 3444}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 34 and name HB3 ))
3.900 1.900 1.900 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 4.038 ppm2 1.383 CV 1
OR { 3444}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 35 and name HB3 ))
ASSI { 3445}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HE3 ))
3.200 1.300 1.300 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.31907E-02 ppm1 1.908 ppm2 3.035 CV 1
OR { 3445}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HE2 ))
OR { 3445}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HE3 ))
OR { 3445}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HE2 ))
OR { 3445}
(( segid "B " and resid 57 and name HB3 ))
(( segid "B " and resid 57 and name HE2 ))
OR { 3445}
(( segid "B " and resid 57 and name HB3 ))
(( segid "B " and resid 57 and name HE3 ))
OR { 3445}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 3453}
(( segid "B " and resid 31 and name HD2 ))
(( segid "B " and resid 31 and name H ))
4.100 2.100 1.900 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 1.774 ppm2 8.364 CV 1
OR { 3453}
(( segid "B " and resid 31 and name HD3 ))
(( segid "B " and resid 31 and name H ))
OR { 3453}
(( segid "B " and resid 31 and name HD2 ))
(( segid "B " and resid 56 and name H ))
ASSI { 3455}
(( segid "B " and resid 31 and name HD2 ))
(( segid "B " and resid 57 and name H ))
4.200 2.200 1.800 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 1.776 ppm2 7.973 CV 1
OR { 3455}
(( segid "B " and resid 31 and name HD3 ))
(( segid "B " and resid 57 and name H ))
OR { 3455}
(( segid "B " and resid 31 and name HD2 ))
(( segid "B " and resid 55 and name H ))
OR { 3455}
(( segid "B " and resid 31 and name HD3 ))
(( segid "B " and resid 55 and name H ))
OR { 3455}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 59 and name H ))
ASSI { 3457}
(( segid "A " and resid 31 and name HD3 ))
(( segid "A " and resid 59 and name HG2 ))
3.400 1.400 1.400 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.29523E-02 ppm1 1.780 ppm2 2.517 CV 1
OR { 3457}
(( segid "A " and resid 31 and name HD2 ))
(( segid "A " and resid 59 and name HG2 ))
OR { 3457}
(( segid "B " and resid 57 and name HD3 ))
(( segid "B " and resid 56 and name HG3 ))
OR { 3457}
(( segid "B " and resid 57 and name HD3 ))
(( segid "B " and resid 56 and name HG2 ))
OR { 3457}
(( segid "B " and resid 31 and name HD3 ))
(( segid "B " and resid 56 and name HG2 ))
ASSI { 3473}
(( segid "B " and resid 31 and name HG2 ))
(( segid "B " and resid 32 and name H ))
4.600 2.600 1.400 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.70252E-03 ppm1 1.585 ppm2 7.721 CV 1
OR { 3473}
(( segid "B " and resid 31 and name HG2 ))
(( segid "B " and resid 61 and name H ))
ASSI { 3477}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 59 and name HE2 ))
3.000 1.100 1.100 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.27724E-02 ppm1 4.803 ppm2 1.900 CV 1
OR { 3477}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 59 and name HE1 ))
OR { 3477}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 59 and name HE3 ))
OR { 3477}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HB2 ))
OR { 3477}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 59 and name HB3 ))
ASSI { 3479}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 69 and name HG2 ))
3.100 1.200 1.200 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 4.803 ppm2 2.145 CV 1
OR { 3479}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 69 and name HB3 ))
OR { 3479}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 69 and name HG2 ))
ASSI { 3480}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HB3 ))
2.500 0.800 0.800 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.32493E-02 ppm1 4.803 ppm2 3.050 CV 1
OR { 3480}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 3481}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HB2 ))
2.600 0.900 0.900 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.38366E-02 ppm1 4.805 ppm2 3.466 CV 1
OR { 3481}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB2 ))
ASSI { 3482}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name H ))
2.900 1.000 1.000 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.97953E-03 ppm1 4.805 ppm2 9.613 CV 1
OR { 3482}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name H ))
ASSI { 3483}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name H ))
2.400 0.700 0.700 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 4.807 ppm2 8.366 CV 1
OR { 3483}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 31 and name H ))
ASSI { 3484}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HD22))
4.400 2.400 1.600 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.10496E-02 ppm1 4.807 ppm2 7.452 CV 1
OR { 3484}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HD22))
ASSI { 3485}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HG3 ))
4.200 2.200 1.800 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 4.797 ppm2 1.490 CV 1
OR { 3485}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 31 and name HG3 ))
OR { 3485}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 69 and name HB2 ))
OR { 3485}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 3487}
(( segid "B " and resid 30 and name HB2 ))
(( segid "B " and resid 30 and name HD22))
3.800 1.800 1.800 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 3.471 ppm2 7.449 CV 1
OR { 3487}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 30 and name HD22))
ASSI { 3490}
(( segid "B " and resid 30 and name HB3 ))
(( segid "B " and resid 30 and name HD22))
3.900 1.900 1.900 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 3.045 ppm2 7.451 CV 1
OR { 3490}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 30 and name HD22))
ASSI { 3494}
(( segid "B " and resid 30 and name HB3 ))
(( segid "B " and resid 30 and name HD21))
3.200 1.300 1.300 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.90324E-03 ppm1 3.046 ppm2 7.613 CV 1
OR { 3494}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 30 and name HD21))
ASSI { 3502}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
3.300 1.400 1.400 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.98909E-03 ppm1 5.249 ppm2 2.165 CV 1
OR { 3502}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 3504}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 33 and name HB2 ))
2.900 1.000 1.000 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.11746E-02 ppm1 5.276 ppm2 2.247 CV 1
OR { 3504}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 3505}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 59 and name HE1 ))
4.200 2.200 1.800 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.90779E-03 ppm1 5.258 ppm2 1.886 CV 1
OR { 3505}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 59 and name HE2 ))
OR { 3505}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 59 and name HE3 ))
OR { 3505}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 31 and name HB2 ))
OR { 3505}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 31 and name HB2 ))
OR { 3505}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 31 and name HB3 ))
ASSI { 3507}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD23))
3.000 1.100 1.100 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.10573E-02 ppm1 1.245 ppm2 0.284 CV 1
OR { 3507}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD23))
OR { 3507}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD22))
OR { 3507}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD22))
OR { 3507}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD21))
ASSI { 3508}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD11))
3.700 1.700 1.700 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.11562E-02 ppm1 1.232 ppm2 0.767 CV 1
OR { 3508}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD11))
OR { 3508}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD13))
OR { 3508}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD13))
OR { 3508}
(( segid "B " and resid 29 and name HB3 ))
(( segid "B " and resid 29 and name HD12))
ASSI { 3511}
(( segid "B " and resid 29 and name HG ))
(( segid "B " and resid 29 and name HD21))
2.900 1.100 1.100 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.91322E-03 ppm1 1.214 ppm2 0.283 CV 1
OR { 3511}
(( segid "A " and resid 29 and name HG ))
(( segid "A " and resid 29 and name HD21))
OR { 3511}
(( segid "B " and resid 29 and name HG ))
(( segid "B " and resid 29 and name HD23))
OR { 3511}
(( segid "A " and resid 29 and name HG ))
(( segid "A " and resid 29 and name HD23))
OR { 3511}
(( segid "B " and resid 29 and name HG ))
(( segid "B " and resid 29 and name HD22))
ASSI { 3514}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 34 and name H ))
4.500 2.500 1.500 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.13029E-02 ppm1 0.770 ppm2 8.926 CV 1
OR { 3514}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 34 and name H ))
OR { 3514}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 34 and name H ))
OR { 3514}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 75 and name H ))
ASSI { 3534}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 16 and name HA ))
3.500 1.500 1.500 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 0.767 ppm2 3.566 CV 1
OR { 3534}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 16 and name HA ))
OR { 3534}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 20 and name HA ))
OR { 3534}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 20 and name HA ))
OR { 3534}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 20 and name HA ))
ASSI { 3537}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 75 and name HB2 ))
4.800 2.800 1.200 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.62968E-03 ppm1 0.768 ppm2 3.251 CV 1
OR { 3537}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 75 and name HB2 ))
OR { 3537}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 72 and name HA ))
OR { 3537}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 72 and name HA ))
OR { 3537}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 72 and name HA ))
ASSI { 3538}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 70 and name HB ))
3.400 1.400 1.400 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.33077E-02 ppm1 0.768 ppm2 2.234 CV 1
OR { 3538}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 33 and name HB2 ))
OR { 3538}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 33 and name HB2 ))
OR { 3538}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 33 and name HB2 ))
ASSI { 3540}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 59 and name HE1 ))
4.100 2.100 1.900 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 0.768 ppm2 1.902 CV 1
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 59 and name HE1 ))
OR { 3540}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 59 and name HE3 ))
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 59 and name HE3 ))
OR { 3540}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 59 and name HE2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 59 and name HE2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 38 and name HG ))
OR { 3540}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 59 and name HE1 ))
OR { 3540}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 59 and name HE3 ))
OR { 3540}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 59 and name HE2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 38 and name HB2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 38 and name HG ))
OR { 3540}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 38 and name HG ))
OR { 3540}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 38 and name HB2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 38 and name HB2 ))
OR { 3540}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 12 and name HE3 ))
ASSI { 3541}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 34 and name HB3 ))
4.600 2.600 1.400 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.10573E-02 ppm1 0.766 ppm2 1.390 CV 1
OR { 3541}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 34 and name HB3 ))
OR { 3541}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 34 and name HB3 ))
OR { 3541}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 58 and name HG ))
ASSI { 3542}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 34 and name HG ))
4.100 2.100 1.900 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.96481E-03 ppm1 0.763 ppm2 1.536 CV 1
OR { 3542}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 34 and name HG ))
OR { 3542}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 34 and name HG ))
OR { 3542}
(( segid "A " and resid 29 and name HD13))
(( segid "A " and resid 28 and name HG2 ))
OR { 3542}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 15 and name HG23))
OR { 3542}
(( segid "A " and resid 29 and name HD12))
(( segid "A " and resid 28 and name HG2 ))
OR { 3542}
(( segid "A " and resid 29 and name HD11))
(( segid "A " and resid 28 and name HG2 ))
ASSI { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD13))
2.600 0.800 0.800 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.81545E-02 ppm1 0.729 ppm2 0.915 CV 1
OR { 3548}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 37 and name HD13))
OR { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD11))
OR { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD12))
OR { 3548}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 37 and name HD12))
OR { 3548}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 37 and name HD11))
OR { 3548}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 37 and name HD13))
OR { 3548}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 37 and name HD12))
OR { 3548}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 37 and name HD11))
OR { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD13))
OR { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD11))
OR { 3548}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD12))
OR { 3548}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HD13))
OR { 3548}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HD11))
ASSI { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD22))
2.700 0.900 0.900 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.83886E-02 ppm1 0.729 ppm2 0.853 CV 1
OR { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD21))
OR { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HD23))
OR { 3549}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HD22))
OR { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD23))
OR { 3549}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HD21))
OR { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD22))
OR { 3549}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HD22))
OR { 3549}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HD21))
OR { 3549}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 37 and name HD21))
OR { 3549}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HD23))
OR { 3549}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HD23))
ASSI { 3552}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 34 and name HB3 ))
4.300 2.300 1.700 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.11469E-02 ppm1 0.727 ppm2 1.446 CV 1
OR { 3552}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 34 and name HB3 ))
OR { 3552}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 34 and name HB3 ))
OR { 3552}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 79 and name HB2 ))
ASSI { 3554}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 70 and name HB ))
3.500 1.500 1.500 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.34530E-02 ppm1 0.729 ppm2 2.249 CV 1
OR { 3554}
(( segid "B " and resid 29 and name HD13))
(( segid "B " and resid 33 and name HB2 ))
OR { 3554}
(( segid "B " and resid 29 and name HD11))
(( segid "B " and resid 33 and name HB2 ))
OR { 3554}
(( segid "B " and resid 29 and name HD12))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 3562}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 20 and name H ))
3.200 1.300 1.300 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 0.278 ppm2 8.529 CV 1
OR { 3562}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 20 and name H ))
OR { 3562}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 20 and name H ))
OR { 3562}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 38 and name H ))
ASSI { 3563}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 30 and name HD22))
4.800 2.900 1.200 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 0.283 ppm2 7.444 CV 1
OR { 3563}
(( segid "A " and resid 29 and name HD23))
(( segid "A " and resid 30 and name HD22))
OR { 3563}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 30 and name HD22))
OR { 3563}
(( segid "A " and resid 29 and name HD21))
(( segid "A " and resid 30 and name HD22))
OR { 3563}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 30 and name HD22))
OR { 3563}
(( segid "A " and resid 29 and name HD22))
(( segid "A " and resid 30 and name HD22))
ASSI { 3565}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 20 and name HB2 ))
3.100 3.100 2.900 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.17196E-02 ppm1 0.283 ppm2 3.114 CV 1
OR { 3565}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 20 and name HB2 ))
OR { 3565}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 20 and name HB2 ))
OR { 3565}
(( segid "B " and resid 29 and name HD22))
(( segid "B " and resid 16 and name HB2 ))
OR { 3565}
(( segid "B " and resid 29 and name HD21))
(( segid "B " and resid 16 and name HB2 ))
OR { 3565}
(( segid "B " and resid 29 and name HD23))
(( segid "B " and resid 16 and name HB2 ))
ASSI { 3577}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
4.200 2.200 1.800 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.81739E-03 ppm1 5.161 ppm2 2.148 CV 1
OR { 3577}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
OR { 3577}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 3580}
(( segid "B " and resid 28 and name HB3 ))
(( segid "B " and resid 69 and name HG2 ))
4.500 2.500 1.500 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.95700E-03 ppm1 1.758 ppm2 2.155 CV 1
OR { 3580}
(( segid "B " and resid 28 and name HB3 ))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 3581}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 69 and name HB3 ))
3.700 1.700 1.700 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 1.720 ppm2 2.163 CV 1
OR { 3581}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 20 and name HB3 ))
OR { 3581}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 69 and name HG3 ))
ASSI { 3585}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HA ))
3.800 1.800 1.800 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 1.530 ppm2 5.163 CV 1
OR { 3585}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name HA ))
ASSI { 3586}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name H ))
3.500 1.500 1.500 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.83647E-03 ppm1 1.534 ppm2 7.202 CV 1
OR { 3586}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name H ))
ASSI { 3588}
(( segid "A " and resid 28 and name HG3 ))
(( segid "A " and resid 28 and name HA ))
3.400 1.500 1.500 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.11456E-02 ppm1 1.344 ppm2 5.157 CV 1
OR { 3588}
(( segid "B " and resid 28 and name HG3 ))
(( segid "B " and resid 28 and name HA ))
ASSI { 3589}
(( segid "A " and resid 28 and name HD2 ))
(( segid "A " and resid 28 and name HA ))
4.000 2.000 2.000 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.79334E-03 ppm1 1.703 ppm2 5.165 CV 1
OR { 3589}
(( segid "B " and resid 28 and name HD2 ))
(( segid "B " and resid 28 and name HA ))
ASSI { 3591}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HG3 ))
3.000 1.100 1.100 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.19266E-02 ppm1 1.515 ppm2 1.341 CV 1
OR { 3591}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 28 and name HG3 ))
ASSI { 3592}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 28 and name HD2 ))
1.900 0.500 0.500 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.58070E-02 ppm1 1.512 ppm2 1.706 CV 1
OR { 3592}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HD2 ))
ASSI { 3593}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 69 and name HB3 ))
4.100 2.100 1.900 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 1.513 ppm2 2.156 CV 1
OR { 3593}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 69 and name HG2 ))
OR { 3593}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 69 and name HG2 ))
ASSI { 3596}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HE2 ))
3.000 1.100 1.100 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.17059E-02 ppm1 1.514 ppm2 3.137 CV 1
OR { 3596}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 28 and name HE2 ))
OR { 3596}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HE3 ))
OR { 3596}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 28 and name HE3 ))
ASSI { 3598}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 25 and name HB3 ))
4.100 2.100 1.900 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.73829E-03 ppm1 1.512 ppm2 2.725 CV 1
OR { 3598}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 25 and name HB3 ))
ASSI { 3599}
(( segid "A " and resid 28 and name HD3 ))
(( segid "A " and resid 28 and name HA ))
3.600 1.600 1.600 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.89413E-03 ppm1 1.516 ppm2 5.163 CV 1
OR { 3599}
(( segid "B " and resid 28 and name HD3 ))
(( segid "B " and resid 28 and name HA ))
ASSI { 3600}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HG3 ))
3.100 1.200 1.200 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.23085E-02 ppm1 3.143 ppm2 1.340 CV 1
OR { 3600}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 28 and name HG3 ))
OR { 3600}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 28 and name HG3 ))
OR { 3600}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HG3 ))
ASSI { 3601}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HD3 ))
2.400 0.800 0.800 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.62710E-02 ppm1 3.144 ppm2 1.516 CV 1
OR { 3601}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 28 and name HD3 ))
OR { 3601}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HD3 ))
OR { 3601}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 28 and name HD3 ))
OR { 3601}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 28 and name HG2 ))
OR { 3601}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 28 and name HG2 ))
ASSI { 3602}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 28 and name HD2 ))
2.500 0.800 0.800 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.46082E-02 ppm1 3.143 ppm2 1.708 CV 1
OR { 3602}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 3602}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HD2 ))
OR { 3602}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 28 and name HD2 ))
ASSI { 3603}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 69 and name HB3 ))
3.900 1.900 1.900 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.99383E-03 ppm1 3.138 ppm2 2.163 CV 1
OR { 3603}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 69 and name HB3 ))
OR { 3603}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 69 and name HG2 ))
OR { 3603}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 69 and name HG3 ))
OR { 3603}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 69 and name HG2 ))
ASSI { 3604}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HA ))
4.000 2.000 2.000 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 3.125 ppm2 5.158 CV 1
OR { 3604}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 28 and name HA ))
OR { 3604}
(( segid "B " and resid 28 and name HE2 ))
(( segid "B " and resid 28 and name HA ))
OR { 3604}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HA ))
OR { 3604}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 71 and name HA ))
ASSI { 3605}
(( segid "A " and resid 28 and name HE3 ))
(( segid "A " and resid 28 and name HA ))
4.000 2.000 2.000 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 3.142 ppm2 5.188 CV 1
OR { 3605}
(( segid "A " and resid 28 and name HE2 ))
(( segid "A " and resid 28 and name HA ))
OR { 3605}
(( segid "B " and resid 28 and name HE3 ))
(( segid "B " and resid 71 and name HA ))
ASSI { 3608}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 28 and name H ))
3.000 1.100 1.100 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.18845E-02 ppm1 4.856 ppm2 7.203 CV 1
OR { 3608}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 28 and name H ))
ASSI { 3609}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name H ))
2.900 1.100 1.100 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.21357E-02 ppm1 4.860 ppm2 9.575 CV 1
OR { 3609}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 27 and name H ))
ASSI { 3610}
(( segid "A " and resid 27 and name HA ))
( segid "A " and resid 75 and name HD% )
4.300 2.300 1.700 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.11978E-02 ppm1 4.860 ppm2 6.924 CV 1
OR { 3610}
(( segid "B " and resid 27 and name HA ))
( segid "B " and resid 75 and name HD% )
ASSI { 3613}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HB3 ))
2.700 0.900 0.900 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.33339E-02 ppm1 4.856 ppm2 3.162 CV 1
OR { 3613}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 27 and name HB3 ))
ASSI { 3615}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 28 and name H ))
4.200 2.200 1.800 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.71834E-03 ppm1 3.790 ppm2 7.205 CV 1
OR { 3615}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 28 and name H ))
ASSI { 3618}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HA ))
2.900 1.100 1.100 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 3.777 ppm2 4.847 CV 1
OR { 3618}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 27 and name HA ))
ASSI { 3619}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HB3 ))
1.900 0.400 0.400 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.83692E-02 ppm1 3.780 ppm2 3.166 CV 1
OR { 3619}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 27 and name HB3 ))
ASSI { 3626}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name H ))
2.900 1.000 1.000 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.18329E-02 ppm1 4.411 ppm2 9.340 CV 1
OR { 3626}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name H ))
ASSI { 3630}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 28 and name H ))
3.500 1.600 1.600 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 4.413 ppm2 7.220 CV 1
OR { 3630}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 22 and name H ))
ASSI { 3631}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 21 and name HA2 ))
2.400 0.700 0.700 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.55122E-02 ppm1 4.411 ppm2 4.141 CV 1
OR { 3631}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 21 and name HA2 ))
ASSI { 3632}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 21 and name HA3 ))
3.000 1.100 1.100 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.41120E-02 ppm1 4.412 ppm2 3.882 CV 1
OR { 3632}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 21 and name HA3 ))
ASSI { 3633}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HE2 ))
4.600 2.600 1.400 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 4.413 ppm2 2.996 CV 1
OR { 3633}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3633}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3633}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HE3 ))
ASSI { 3634}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HG2 ))
3.200 1.300 1.300 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.39861E-02 ppm1 4.412 ppm2 1.295 CV 1
OR { 3634}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HG2 ))
ASSI { 3635}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
2.500 0.800 0.800 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.51219E-02 ppm1 4.412 ppm2 1.601 CV 1
OR { 3635}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 3636}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB3 ))
2.500 0.800 0.800 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.34682E-02 ppm1 4.413 ppm2 1.431 CV 1
OR { 3636}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB3 ))
ASSI { 3637}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 26 and name HG2 ))
2.500 0.800 0.800 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.54906E-02 ppm1 1.588 ppm2 1.293 CV 1
OR { 3637}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 26 and name HG2 ))
ASSI { 3639}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 26 and name HE2 ))
3.900 1.900 1.900 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.71575E-03 ppm1 1.585 ppm2 3.007 CV 1
OR { 3639}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3639}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3639}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 26 and name HE3 ))
ASSI { 3641}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 21 and name HA2 ))
3.800 1.800 1.800 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 1.589 ppm2 4.145 CV 1
OR { 3641}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 21 and name HA2 ))
ASSI { 3646}
(( segid "A " and resid 26 and name HB3 ))
( segid "A " and resid 27 and name HD% )
4.400 2.400 1.600 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.75020E-03 ppm1 1.428 ppm2 7.495 CV 1
OR { 3646}
(( segid "B " and resid 26 and name HB3 ))
( segid "B " and resid 27 and name HD% )
ASSI { 3650}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 21 and name HA2 ))
3.300 1.400 1.400 peak 3650 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 1.432 ppm2 4.144 CV 1
OR { 3650}
(( segid "B " and resid 26 and name HB3 ))
(( segid "B " and resid 21 and name HA2 ))
ASSI { 3652}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HE2 ))
4.500 2.500 1.500 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.76428E-03 ppm1 1.439 ppm2 3.000 CV 1
OR { 3652}
(( segid "B " and resid 26 and name HB3 ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3652}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3652}
(( segid "B " and resid 26 and name HB3 ))
(( segid "B " and resid 26 and name HE3 ))
ASSI { 3654}
(( segid "B " and resid 26 and name HB3 ))
(( segid "B " and resid 26 and name HG2 ))
2.200 0.600 0.600 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.60714E-02 ppm1 1.431 ppm2 1.292 CV 1
OR { 3654}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HG2 ))
ASSI { 3655}
(( segid "A " and resid 26 and name HG2 ))
(( segid "A " and resid 26 and name HE2 ))
2.800 1.000 1.000 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.38886E-02 ppm1 1.297 ppm2 3.004 CV 1
OR { 3655}
(( segid "B " and resid 26 and name HG2 ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3655}
(( segid "A " and resid 26 and name HG2 ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3655}
(( segid "B " and resid 26 and name HG2 ))
(( segid "B " and resid 26 and name HE3 ))
ASSI { 3657}
(( segid "A " and resid 26 and name HG2 ))
(( segid "A " and resid 21 and name HA2 ))
3.700 1.700 1.700 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.17579E-02 ppm1 1.302 ppm2 4.140 CV 1
OR { 3657}
(( segid "B " and resid 26 and name HG2 ))
(( segid "B " and resid 21 and name HA2 ))
ASSI { 3658}
(( segid "A " and resid 26 and name HG2 ))
(( segid "A " and resid 21 and name HA3 ))
4.000 2.000 2.000 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 1.299 ppm2 3.881 CV 1
OR { 3658}
(( segid "B " and resid 26 and name HG2 ))
(( segid "B " and resid 21 and name HA3 ))
ASSI { 3659}
(( segid "A " and resid 26 and name HG2 ))
( segid "A " and resid 27 and name HD% )
3.800 1.800 1.800 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.98105E-03 ppm1 1.300 ppm2 7.501 CV 1
OR { 3659}
(( segid "B " and resid 26 and name HG2 ))
( segid "B " and resid 27 and name HD% )
ASSI { 3660}
(( segid "B " and resid 26 and name HG3 ))
( segid "B " and resid 27 and name HD% )
3.900 1.900 1.900 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.60756E-03 ppm1 1.276 ppm2 7.499 CV 1
OR { 3660}
(( segid "A " and resid 26 and name HG3 ))
( segid "A " and resid 27 and name HD% )
ASSI { 3663}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 21 and name HA3 ))
4.200 2.300 1.800 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.61754E-03 ppm1 1.271 ppm2 3.874 CV 1
OR { 3663}
(( segid "B " and resid 26 and name HG3 ))
(( segid "B " and resid 21 and name HA3 ))
ASSI { 3664}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 21 and name HA2 ))
3.700 1.700 1.700 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 1.271 ppm2 4.142 CV 1
OR { 3664}
(( segid "B " and resid 26 and name HG3 ))
(( segid "B " and resid 21 and name HA2 ))
ASSI { 3665}
(( segid "B " and resid 26 and name HG3 ))
(( segid "B " and resid 26 and name HA ))
3.100 1.200 1.200 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.22218E-02 ppm1 1.264 ppm2 4.407 CV 1
OR { 3665}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 26 and name HA ))
ASSI { 3666}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 26 and name HE2 ))
3.200 1.300 1.300 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.21043E-02 ppm1 1.264 ppm2 3.000 CV 1
OR { 3666}
(( segid "B " and resid 26 and name HG3 ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3666}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3666}
(( segid "B " and resid 26 and name HG3 ))
(( segid "B " and resid 26 and name HE3 ))
ASSI { 3667}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 27 and name H ))
4.200 2.200 1.800 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.63597E-03 ppm1 1.637 ppm2 9.582 CV 1
OR { 3667}
(( segid "A " and resid 26 and name HD3 ))
(( segid "A " and resid 27 and name H ))
OR { 3667}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 27 and name H ))
OR { 3667}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 27 and name H ))
ASSI { 3669}
(( segid "B " and resid 26 and name HD3 ))
( segid "B " and resid 27 and name HD% )
3.400 1.500 1.500 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.17816E-02 ppm1 1.634 ppm2 7.500 CV 1
OR { 3669}
(( segid "A " and resid 26 and name HD3 ))
( segid "A " and resid 27 and name HD% )
OR { 3669}
(( segid "B " and resid 26 and name HD2 ))
( segid "B " and resid 27 and name HD% )
OR { 3669}
(( segid "A " and resid 26 and name HD2 ))
( segid "A " and resid 27 and name HD% )
ASSI { 3670}
(( segid "A " and resid 26 and name HD3 ))
( segid "A " and resid 27 and name HE% )
3.800 1.800 1.800 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.13996E-02 ppm1 1.632 ppm2 7.421 CV 1
OR { 3670}
(( segid "B " and resid 26 and name HD3 ))
( segid "B " and resid 27 and name HE% )
OR { 3670}
(( segid "B " and resid 26 and name HD2 ))
( segid "B " and resid 27 and name HE% )
OR { 3670}
(( segid "A " and resid 26 and name HD2 ))
( segid "A " and resid 27 and name HE% )
ASSI { 3672}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 25 and name HA ))
3.900 1.900 1.900 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.80373E-03 ppm1 1.630 ppm2 4.488 CV 1
OR { 3672}
(( segid "A " and resid 26 and name HD3 ))
(( segid "A " and resid 25 and name HA ))
ASSI { 3673}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 26 and name HA ))
3.300 1.300 1.300 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.38627E-02 ppm1 1.631 ppm2 4.412 CV 1
OR { 3673}
(( segid "A " and resid 26 and name HD3 ))
(( segid "A " and resid 26 and name HA ))
OR { 3673}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 26 and name HA ))
OR { 3673}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 26 and name HA ))
ASSI { 3675}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 21 and name HA3 ))
2.300 2.300 3.700 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.18940E-02 ppm1 1.630 ppm2 3.883 CV 1
OR { 3675}
(( segid "A " and resid 26 and name HD3 ))
(( segid "A " and resid 21 and name HA3 ))
OR { 3675}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 21 and name HA3 ))
OR { 3675}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 21 and name HA3 ))
ASSI { 3676}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 26 and name HE3 ))
2.000 0.500 0.500 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.22326E-01 ppm1 1.630 ppm2 3.007 CV 1
OR { 3676}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 26 and name HE3 ))
OR { 3676}
(( segid "B " and resid 26 and name HD2 ))
(( segid "B " and resid 26 and name HE2 ))
OR { 3676}
(( segid "A " and resid 26 and name HD2 ))
(( segid "A " and resid 26 and name HE2 ))
OR { 3676}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 26 and name HE3 ))
OR { 3676}
(( segid "A " and resid 26 and name HD3 ))
(( segid "A " and resid 26 and name HE3 ))
OR { 3676}
(( segid "B " and resid 26 and name HD3 ))
(( segid "B " and resid 26 and name HE2 ))
ASSI { 3677}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 25 and name H ))
3.100 1.200 1.200 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 4.493 ppm2 8.601 CV 1
OR { 3677}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 25 and name H ))
ASSI { 3679}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 26 and name H ))
2.300 0.600 0.600 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.74652E-02 ppm1 4.490 ppm2 9.339 CV 1
OR { 3679}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 26 and name H ))
ASSI { 3680}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 26 and name HB3 ))
4.200 2.200 1.800 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 4.488 ppm2 1.430 CV 1
OR { 3680}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 26 and name HB3 ))
ASSI { 3681}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 26 and name HG2 ))
4.200 2.200 1.800 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.13862E-02 ppm1 4.490 ppm2 1.289 CV 1
OR { 3681}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 26 and name HG2 ))
ASSI { 3684}
(( segid "B " and resid 25 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
4.700 2.800 1.300 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.96349E-03 ppm1 4.490 ppm2 1.610 CV 1
OR { 3684}
(( segid "A " and resid 25 and name HA ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 3687}
(( segid "A " and resid 25 and name HB2 ))
(( segid "A " and resid 25 and name HB3 ))
2.200 0.600 0.600 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.35463E-02 ppm1 2.885 ppm2 2.709 CV 1
OR { 3687}
(( segid "B " and resid 25 and name HB2 ))
(( segid "B " and resid 25 and name HB3 ))
ASSI { 3693}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HB3 ))
4.400 2.500 1.600 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.76040E-03 ppm1 2.710 ppm2 1.725 CV 1
OR { 3693}
(( segid "B " and resid 25 and name HB3 ))
(( segid "B " and resid 28 and name HB2 ))
OR { 3693}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HB2 ))
OR { 3693}
(( segid "A " and resid 25 and name HB3 ))
(( segid "A " and resid 28 and name HD2 ))
ASSI { 3694}
(( segid "A " and resid 24 and name HA2 ))
(( segid "A " and resid 24 and name HA3 ))
2.100 0.600 0.600 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.49075E-02 ppm1 3.944 ppm2 3.782 CV 1
OR { 3694}
(( segid "B " and resid 24 and name HA2 ))
(( segid "B " and resid 24 and name HA3 ))
ASSI { 3696}
(( segid "A " and resid 24 and name HA3 ))
(( segid "A " and resid 23 and name HA ))
4.200 2.200 1.800 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.82217E-03 ppm1 3.778 ppm2 4.669 CV 1
OR { 3696}
(( segid "B " and resid 24 and name HA3 ))
(( segid "B " and resid 23 and name HA ))
ASSI { 3700}
(( segid "B " and resid 24 and name HA3 ))
(( segid "B " and resid 25 and name H ))
2.900 1.100 1.100 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.15062E-02 ppm1 3.791 ppm2 8.609 CV 1
OR { 3700}
(( segid "A " and resid 24 and name HA3 ))
(( segid "A " and resid 25 and name H ))
ASSI { 3701}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name H ))
2.700 0.900 0.900 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.42744E-02 ppm1 4.652 ppm2 9.612 CV 1
OR { 3701}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name H ))
ASSI { 3703}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 24 and name HA2 ))
4.000 2.000 2.000 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.95787E-03 ppm1 4.652 ppm2 3.950 CV 1
OR { 3703}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 24 and name HA2 ))
ASSI { 3704}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HG2 ))
2.800 1.000 1.000 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.47038E-02 ppm1 4.651 ppm2 2.254 CV 1
OR { 3704}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HG2 ))
ASSI { 3705}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HG3 ))
3.300 1.300 1.300 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.28309E-02 ppm1 4.651 ppm2 2.137 CV 1
OR { 3705}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 3706}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HB2 ))
2.800 0.900 0.900 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 4.650 ppm2 1.988 CV 1
OR { 3706}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 3707}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HB3 ))
2.900 1.000 1.000 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.28916E-02 ppm1 4.651 ppm2 1.826 CV 1
OR { 3707}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB3 ))
ASSI { 3710}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 30 and name HD21))
3.200 1.300 1.300 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 1.987 ppm2 7.608 CV 1
OR { 3710}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 30 and name HD21))
ASSI { 3711}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 30 and name HD22))
3.000 1.100 1.100 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.16216E-02 ppm1 1.992 ppm2 7.450 CV 1
OR { 3711}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 30 and name HD22))
ASSI { 3713}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 30 and name HD22))
3.300 1.400 1.400 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.13894E-02 ppm1 1.830 ppm2 7.452 CV 1
OR { 3713}
(( segid "B " and resid 23 and name HB3 ))
(( segid "B " and resid 30 and name HD22))
ASSI { 3714}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 30 and name HD21))
3.600 1.600 1.600 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 1.833 ppm2 7.606 CV 1
OR { 3714}
(( segid "B " and resid 23 and name HB3 ))
(( segid "B " and resid 30 and name HD21))
ASSI { 3717}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 23 and name HG2 ))
2.800 1.000 1.000 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.42269E-02 ppm1 1.989 ppm2 2.251 CV 1
OR { 3717}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 23 and name HG2 ))
ASSI { 3718}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 23 and name HG3 ))
2.500 0.800 0.800 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.53692E-02 ppm1 1.987 ppm2 2.139 CV 1
OR { 3718}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 3719}
(( segid "A " and resid 23 and name HB2 ))
(( segid "A " and resid 23 and name HB3 ))
1.900 0.400 0.400 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.78620E-02 ppm1 1.986 ppm2 1.826 CV 1
OR { 3719}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 23 and name HB3 ))
ASSI { 3720}
(( segid "B " and resid 23 and name HB3 ))
(( segid "B " and resid 23 and name HG2 ))
3.300 1.400 1.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 1.831 ppm2 2.249 CV 1
OR { 3720}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 23 and name HG2 ))
ASSI { 3721}
(( segid "B " and resid 23 and name HB3 ))
(( segid "B " and resid 23 and name HG3 ))
3.100 1.200 1.200 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 1.825 ppm2 2.134 CV 1
OR { 3721}
(( segid "A " and resid 23 and name HB3 ))
(( segid "A " and resid 23 and name HG3 ))
ASSI { 3725}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 30 and name HD21))
4.300 2.300 1.700 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.97259E-03 ppm1 2.252 ppm2 7.614 CV 1
OR { 3725}
(( segid "B " and resid 23 and name HG2 ))
(( segid "B " and resid 30 and name HD21))
ASSI { 3726}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 30 and name HD22))
4.000 2.000 2.000 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.73784E-03 ppm1 2.261 ppm2 7.451 CV 1
OR { 3726}
(( segid "B " and resid 23 and name HG2 ))
(( segid "B " and resid 30 and name HD22))
ASSI { 3728}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 22 and name H ))
5.000 3.100 1.000 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.53214E-03 ppm1 2.249 ppm2 7.244 CV 1
OR { 3728}
(( segid "B " and resid 23 and name HG2 ))
(( segid "B " and resid 22 and name H ))
ASSI { 3731}
(( segid "A " and resid 23 and name HG2 ))
(( segid "A " and resid 23 and name HG3 ))
1.600 0.300 0.600 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.21936E-01 ppm1 2.253 ppm2 2.139 CV 1
OR { 3731}
(( segid "B " and resid 23 and name HG2 ))
(( segid "B " and resid 23 and name HG3 ))
ASSI { 3732}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name H ))
2.500 0.800 0.800 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.68931E-02 ppm1 3.999 ppm2 7.241 CV 1
OR { 3732}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name H ))
ASSI { 3733}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HB2 ))
2.500 0.800 0.800 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.58135E-02 ppm1 3.999 ppm2 2.189 CV 1
OR { 3733}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
ASSI { 3734}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HB3 ))
2.500 0.800 0.800 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.81891E-02 ppm1 3.998 ppm2 2.039 CV 1
OR { 3734}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 3736}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HD3 ))
4.100 2.100 1.900 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.19324E-02 ppm1 3.999 ppm2 1.803 CV 1
OR { 3736}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HD3 ))
ASSI { 3737}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HG2 ))
3.200 1.300 1.300 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.28721E-02 ppm1 3.998 ppm2 1.727 CV 1
OR { 3737}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HG2 ))
ASSI { 3739}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HG3 ))
2.300 0.700 0.700 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.68453E-02 ppm1 3.999 ppm2 1.474 CV 1
OR { 3739}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HG3 ))
ASSI { 3742}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 23 and name H ))
3.000 1.200 1.200 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.32102E-02 ppm1 2.191 ppm2 9.614 CV 1
OR { 3742}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 23 and name H ))
ASSI { 3744}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 22 and name H ))
2.400 0.700 0.700 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.44436E-02 ppm1 2.190 ppm2 7.241 CV 1
OR { 3744}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3745}
(( segid "B " and resid 22 and name HB3 ))
(( segid "B " and resid 22 and name H ))
2.900 1.000 1.000 peak 3745 spectrum 1 weight 0.10000E+01 volume 0.43699E-02 ppm1 2.039 ppm2 7.240 CV 1
OR { 3745}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3749}
(( segid "B " and resid 4 and name HB3 ))
(( segid "B " and resid 4 and name HA ))
2.300 0.600 0.600 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.42831E-02 ppm1 2.188 ppm2 4.345 CV 1
OR { 3749}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 4 and name HA ))
ASSI { 3773}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 19 and name HA ))
3.800 1.800 1.800 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.11237E-02 ppm1 1.474 ppm2 4.349 CV 1
OR { 3773}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 19 and name HA ))
ASSI { 3774}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.31279E-02 ppm1 1.472 ppm2 2.190 CV 1
OR { 3774}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 22 and name HB2 ))
ASSI { 3775}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 22 and name HB3 ))
2.800 1.000 1.000 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.44306E-02 ppm1 1.472 ppm2 2.037 CV 1
OR { 3775}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 3776}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 22 and name HD3 ))
2.500 0.800 0.800 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.57702E-02 ppm1 1.475 ppm2 1.804 CV 1
OR { 3776}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 22 and name HD3 ))
ASSI { 3777}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 22 and name H ))
3.500 1.500 1.500 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.32015E-02 ppm1 1.473 ppm2 7.242 CV 1
OR { 3777}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3778}
(( segid "A " and resid 22 and name HG3 ))
(( segid "A " and resid 23 and name H ))
4.200 2.200 1.800 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.13526E-02 ppm1 1.475 ppm2 9.609 CV 1
OR { 3778}
(( segid "B " and resid 22 and name HG3 ))
(( segid "B " and resid 23 and name H ))
ASSI { 3780}
(( segid "B " and resid 22 and name HD2 ))
(( segid "B " and resid 22 and name H ))
3.700 1.700 1.700 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.21654E-02 ppm1 1.913 ppm2 7.241 CV 1
OR { 3780}
(( segid "A " and resid 22 and name HD2 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3781}
(( segid "B " and resid 22 and name HD3 ))
(( segid "B " and resid 22 and name H ))
4.200 2.200 1.800 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.19283E-02 ppm1 1.806 ppm2 7.241 CV 1
OR { 3781}
(( segid "A " and resid 22 and name HD3 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3782}
(( segid "B " and resid 22 and name HD3 ))
( segid "B " and resid 19 and name HD% )
3.600 1.600 1.600 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.92946E-03 ppm1 1.807 ppm2 7.407 CV 1
OR { 3782}
(( segid "A " and resid 22 and name HD3 ))
( segid "A " and resid 19 and name HD% )
ASSI { 3783}
(( segid "A " and resid 22 and name HD2 ))
( segid "A " and resid 19 and name HD% )
2.800 1.000 1.000 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.18208E-02 ppm1 1.913 ppm2 7.417 CV 1
OR { 3783}
(( segid "B " and resid 22 and name HD2 ))
( segid "B " and resid 19 and name HD% )
ASSI { 3784}
(( segid "A " and resid 22 and name HD2 ))
( segid "A " and resid 19 and name HE% )
2.700 2.700 3.300 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.72896E-03 ppm1 1.920 ppm2 6.840 CV 1
OR { 3784}
(( segid "B " and resid 22 and name HD2 ))
( segid "B " and resid 19 and name HE% )
ASSI { 3785}
(( segid "B " and resid 22 and name HD2 ))
(( segid "B " and resid 23 and name H ))
2.600 2.600 3.400 peak 3785 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 1.917 ppm2 9.612 CV 1
OR { 3785}
(( segid "A " and resid 22 and name HD2 ))
(( segid "A " and resid 23 and name H ))
ASSI { 3786}
(( segid "B " and resid 22 and name HD3 ))
(( segid "B " and resid 23 and name H ))
2.600 2.600 3.400 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.10120E-02 ppm1 1.809 ppm2 9.618 CV 1
OR { 3786}
(( segid "A " and resid 22 and name HD3 ))
(( segid "A " and resid 23 and name H ))
ASSI { 3787}
(( segid "B " and resid 22 and name HD2 ))
(( segid "B " and resid 22 and name HA ))
3.800 1.800 1.800 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.29609E-02 ppm1 1.917 ppm2 3.995 CV 1
OR { 3787}
(( segid "A " and resid 22 and name HD2 ))
(( segid "A " and resid 22 and name HA ))
ASSI { 3789}
(( segid "B " and resid 22 and name HD2 ))
(( segid "B " and resid 22 and name HG3 ))
2.500 0.800 0.800 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.72528E-02 ppm1 1.916 ppm2 1.476 CV 1
OR { 3789}
(( segid "A " and resid 22 and name HD2 ))
(( segid "A " and resid 22 and name HG3 ))
ASSI { 3790}
(( segid "B " and resid 21 and name HA2 ))
(( segid "B " and resid 26 and name HD3 ))
3.600 1.600 1.600 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.20005E-02 ppm1 4.143 ppm2 1.614 CV 1
OR { 3790}
(( segid "A " and resid 21 and name HA2 ))
(( segid "A " and resid 26 and name HD3 ))
OR { 3790}
(( segid "B " and resid 21 and name HA2 ))
(( segid "B " and resid 26 and name HD2 ))
OR { 3790}
(( segid "A " and resid 21 and name HA2 ))
(( segid "A " and resid 26 and name HD2 ))
ASSI { 3795}
(( segid "B " and resid 21 and name HA2 ))
(( segid "B " and resid 21 and name HA3 ))
2.000 0.500 0.500 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.58222E-02 ppm1 4.144 ppm2 3.883 CV 1
OR { 3795}
(( segid "A " and resid 21 and name HA2 ))
(( segid "A " and resid 21 and name HA3 ))
ASSI { 3797}
(( segid "A " and resid 21 and name HA3 ))
(( segid "A " and resid 26 and name HB2 ))
3.600 1.600 1.600 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.16058E-02 ppm1 3.884 ppm2 1.606 CV 1
OR { 3797}
(( segid "B " and resid 21 and name HA3 ))
(( segid "B " and resid 26 and name HB2 ))
ASSI { 3798}
(( segid "A " and resid 21 and name HA3 ))
(( segid "A " and resid 26 and name HB3 ))
3.300 1.400 1.400 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.99926E-03 ppm1 3.887 ppm2 1.433 CV 1
OR { 3798}
(( segid "B " and resid 21 and name HA3 ))
(( segid "B " and resid 26 and name HB3 ))
ASSI { 3801}
(( segid "B " and resid 21 and name HA2 ))
(( segid "B " and resid 22 and name H ))
3.100 1.200 1.200 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 4.143 ppm2 7.243 CV 1
OR { 3801}
(( segid "A " and resid 21 and name HA2 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3805}
(( segid "B " and resid 21 and name HA3 ))
(( segid "B " and resid 22 and name H ))
3.500 1.500 1.500 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.13771E-02 ppm1 3.891 ppm2 7.248 CV 1
OR { 3805}
(( segid "A " and resid 21 and name HA3 ))
(( segid "A " and resid 22 and name H ))
ASSI { 3834}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 29 and name HD21))
4.400 2.500 1.600 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.95180E-03 ppm1 4.340 ppm2 0.276 CV 1
OR { 3834}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 29 and name HD21))
OR { 3834}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 29 and name HD23))
OR { 3834}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 29 and name HD22))
OR { 3834}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 29 and name HD22))
ASSI { 3840}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 19 and name HB3 ))
2.800 1.000 1.000 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.20477E-02 ppm1 4.346 ppm2 2.350 CV 1
OR { 3840}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 19 and name HB3 ))
ASSI { 3841}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HB2 ))
3.500 1.500 1.500 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.99212E-03 ppm1 4.350 ppm2 2.196 CV 1
OR { 3841}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
OR { 3841}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 36 and name HB3 ))
OR { 3841}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 36 and name HB3 ))
ASSI { 3842}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HD2 ))
2.900 1.100 1.100 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.20330E-02 ppm1 4.354 ppm2 1.910 CV 1
OR { 3842}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HD2 ))
OR { 3842}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 3843}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HD3 ))
3.800 1.800 1.800 peak 3843 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 4.353 ppm2 1.812 CV 1
OR { 3843}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HD3 ))
OR { 3843}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 18 and name HB3 ))
ASSI { 3844}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HG2 ))
3.900 1.900 1.900 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.19129E-02 ppm1 4.341 ppm2 1.735 CV 1
OR { 3844}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HG2 ))
OR { 3844}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 18 and name HD2 ))
ASSI { 3847}
(( segid "B " and resid 78 and name HA ))
( segid "C " and resid 1917 and name HD2%)
3.600 1.600 1.600 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.13199E-02 ppm1 4.343 ppm2 1.021 CV 1
OR { 3847}
(( segid "B " and resid 78 and name HA ))
(( segid "B " and resid 77 and name HG23))
OR { 3847}
(( segid "B " and resid 78 and name HA ))
(( segid "B " and resid 77 and name HG21))
ASSI { 3848}
(( segid "B " and resid 78 and name HA ))
( segid "C " and resid 1921 and name HD1%)
3.500 1.500 1.500 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 4.336 ppm2 0.917 CV 1
OR { 3848}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 37 and name HD12))
OR { 3848}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 37 and name HD12))
OR { 3848}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 37 and name HD13))
OR { 3848}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 37 and name HD13))
OR { 3848}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 37 and name HD11))
ASSI { 3849}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HE3 ))
3.500 1.600 1.600 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.11369E-02 ppm1 4.338 ppm2 3.037 CV 1
OR { 3849}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HE3 ))
OR { 3849}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 22 and name HE2 ))
OR { 3849}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HE2 ))
ASSI { 3850}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
3.000 1.200 1.200 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 4.352 ppm2 2.940 CV 1
OR { 3850}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 19 and name HB2 ))
ASSI { 3854}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 29 and name HD21))
2.900 1.100 1.100 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.14961E-02 ppm1 2.934 ppm2 0.288 CV 1
OR { 3854}
(( segid "A " and resid 19 and name HB2 ))
(( segid "A " and resid 29 and name HD21))
OR { 3854}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 29 and name HD22))
OR { 3854}
(( segid "A " and resid 19 and name HB2 ))
(( segid "A " and resid 29 and name HD22))
OR { 3854}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 29 and name HD23))
ASSI { 3855}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 37 and name HD12))
3.100 1.200 1.200 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 2.939 ppm2 0.911 CV 1
OR { 3855}
(( segid "A " and resid 19 and name HB2 ))
(( segid "A " and resid 37 and name HD12))
OR { 3855}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 37 and name HD13))
OR { 3855}
(( segid "A " and resid 19 and name HB2 ))
(( segid "A " and resid 37 and name HD13))
OR { 3855}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 37 and name HD11))
ASSI { 3857}
(( segid "A " and resid 19 and name HB2 ))
(( segid "A " and resid 19 and name HB3 ))
2.100 0.600 0.600 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.21698E-02 ppm1 2.932 ppm2 2.347 CV 1
OR { 3857}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 19 and name HB3 ))
ASSI { 3861}
(( segid "A " and resid 19 and name HB3 ))
(( segid "A " and resid 19 and name H ))
4.100 2.100 1.900 peak 3861 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 2.352 ppm2 6.853 CV 1
OR { 3861}
(( segid "B " and resid 19 and name HB3 ))
( segid "B " and resid 19 and name HE% )
OR { 3861}
(( segid "A " and resid 19 and name HB3 ))
( segid "A " and resid 19 and name HE% )
ASSI { 3869}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 19 and name H ))
3.000 1.200 1.200 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 4.357 ppm2 6.863 CV 1
OR { 3869}
(( segid "B " and resid 19 and name HA ))
( segid "B " and resid 19 and name HE% )
ASSI { 3875}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HE3 ))
4.200 2.200 1.800 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 1.906 ppm2 2.953 CV 1
OR { 3875}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 18 and name HE3 ))
OR { 3875}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 18 and name HE3 ))
OR { 3875}
(( segid "B " and resid 18 and name HB3 ))
(( segid "B " and resid 18 and name HE2 ))
OR { 3875}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 18 and name HE2 ))
OR { 3875}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 18 and name HE2 ))
ASSI { 3878}
(( segid "A " and resid 18 and name HB2 ))
(( segid "A " and resid 19 and name H ))
3.800 1.800 1.800 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 1.915 ppm2 6.851 CV 1
OR { 3878}
(( segid "B " and resid 18 and name HB2 ))
( segid "B " and resid 19 and name HE% )
OR { 3878}
(( segid "A " and resid 18 and name HB2 ))
( segid "A " and resid 19 and name HE% )
ASSI { 3882}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 91 and name H ))
3.400 1.400 1.400 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.13346E-02 ppm1 3.936 ppm2 8.025 CV 1
OR { 3882}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 93 and name H ))
ASSI { 3897}
(( segid "A " and resid 18 and name HD3 ))
( segid "A " and resid 19 and name HE% )
2.600 0.900 0.900 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.20115E-02 ppm1 1.670 ppm2 6.847 CV 1
OR { 3897}
(( segid "B " and resid 18 and name HD3 ))
( segid "B " and resid 19 and name HE% )
ASSI { 3898}
(( segid "A " and resid 18 and name HD2 ))
( segid "A " and resid 19 and name HE% )
3.900 1.900 1.900 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.18089E-02 ppm1 1.741 ppm2 6.845 CV 1
OR { 3898}
(( segid "B " and resid 18 and name HD2 ))
( segid "B " and resid 19 and name HE% )
OR { 3898}
(( segid "B " and resid 18 and name HD2 ))
(( segid "B " and resid 19 and name H ))
ASSI { 3899}
(( segid "A " and resid 18 and name HE2 ))
( segid "A " and resid 19 and name HE% )
3.200 1.300 1.300 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.27073E-02 ppm1 2.957 ppm2 6.848 CV 1
OR { 3899}
(( segid "B " and resid 18 and name HE2 ))
( segid "B " and resid 19 and name HE% )
OR { 3899}
(( segid "A " and resid 18 and name HE3 ))
( segid "A " and resid 19 and name HE% )
OR { 3899}
(( segid "B " and resid 18 and name HE3 ))
( segid "B " and resid 19 and name HE% )
ASSI { 3907}
(( segid "B " and resid 18 and name HE3 ))
(( segid "B " and resid 18 and name HB3 ))
3.900 1.900 1.900 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.24234E-02 ppm1 2.953 ppm2 1.905 CV 1
OR { 3907}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HB2 ))
OR { 3907}
(( segid "B " and resid 18 and name HE3 ))
(( segid "B " and resid 18 and name HB2 ))
OR { 3907}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name HB2 ))
OR { 3907}
(( segid "A " and resid 18 and name HE2 ))
(( segid "A " and resid 18 and name HB2 ))
ASSI { 3908}
(( segid "B " and resid 18 and name HE3 ))
(( segid "B " and resid 18 and name HD2 ))
2.300 0.600 0.600 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.10157E-01 ppm1 2.958 ppm2 1.737 CV 1
OR { 3908}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HD2 ))
OR { 3908}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name HD2 ))
OR { 3908}
(( segid "A " and resid 18 and name HE2 ))
(( segid "A " and resid 18 and name HD2 ))
ASSI { 3909}
(( segid "A " and resid 18 and name HE2 ))
(( segid "A " and resid 18 and name HD3 ))
2.200 0.600 0.600 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.91386E-02 ppm1 2.959 ppm2 1.680 CV 1
OR { 3909}
(( segid "B " and resid 18 and name HE2 ))
(( segid "B " and resid 18 and name HD3 ))
OR { 3909}
(( segid "A " and resid 18 and name HE3 ))
(( segid "A " and resid 18 and name HD3 ))
OR { 3909}
(( segid "B " and resid 18 and name HE3 ))
(( segid "B " and resid 18 and name HD3 ))
ASSI { 3960}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 17 and name H ))
2.500 0.800 0.800 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.19244E-02 ppm1 2.596 ppm2 6.995 CV 1
OR { 3960}
(( segid "B " and resid 16 and name HB3 ))
(( segid "B " and resid 16 and name H ))
ASSI { 3961}
(( segid "B " and resid 16 and name HB3 ))
(( segid "B " and resid 17 and name H ))
2.700 0.900 0.900 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.13756E-02 ppm1 2.601 ppm2 7.053 CV 1
OR { 3961}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 16 and name H ))
ASSI { 3962}
(( segid "B " and resid 16 and name HB3 ))
( segid "B " and resid 16 and name HD% )
3.300 1.300 1.300 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.97304E-03 ppm1 2.599 ppm2 5.634 CV 1
OR { 3962}
(( segid "A " and resid 16 and name HB3 ))
( segid "A " and resid 16 and name HD% )
ASSI { 3983}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 18 and name HB3 ))
4.100 2.100 1.900 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 4.010 ppm2 1.906 CV 1
OR { 3983}
(( segid "A " and resid 15 and name HB ))
(( segid "A " and resid 18 and name HB2 ))
OR { 3983}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 3984}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 18 and name HD2 ))
4.600 2.700 1.400 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.67759E-03 ppm1 4.009 ppm2 1.733 CV 1
OR { 3984}
(( segid "A " and resid 15 and name HB ))
(( segid "A " and resid 18 and name HD2 ))
OR { 3984}
(( segid "B " and resid 15 and name HB ))
(( segid "A " and resid 83 and name HB2 ))
ASSI { 3985}
(( segid "A " and resid 15 and name HB ))
(( segid "A " and resid 15 and name HG23))
2.500 0.800 0.800 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.39602E-02 ppm1 4.009 ppm2 1.526 CV 1
OR { 3985}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG23))
OR { 3985}
(( segid "A " and resid 15 and name HB ))
(( segid "A " and resid 15 and name HG21))
OR { 3985}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG21))
OR { 3985}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG22))
ASSI { 3991}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 41 and name HB3 ))
3.600 1.600 1.600 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.41401E-02 ppm1 1.523 ppm2 2.182 CV 1
OR { 3991}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 41 and name HB3 ))
OR { 3991}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 40 and name HB2 ))
OR { 3991}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 41 and name HB3 ))
OR { 3991}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 36 and name HB3 ))
OR { 3991}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 36 and name HB3 ))
OR { 3991}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 36 and name HB3 ))
OR { 3991}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 36 and name HB2 ))
OR { 3991}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 36 and name HB2 ))
OR { 3991}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 36 and name HB2 ))
ASSI { 3998}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 41 and name H ))
3.800 1.800 1.800 peak 3998 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 1.518 ppm2 8.520 CV 1
OR { 3998}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 41 and name H ))
OR { 3998}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 41 and name H ))
OR { 3998}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 20 and name H ))
OR { 3998}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 20 and name H ))
OR { 3998}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 38 and name H ))
OR { 3998}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 38 and name H ))
ASSI { 4001}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 18 and name H ))
4.200 2.200 1.800 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.11224E-02 ppm1 1.520 ppm2 7.929 CV 1
OR { 4001}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 18 and name H ))
OR { 4001}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 18 and name H ))
OR { 4001}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 37 and name H ))
OR { 4001}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 37 and name H ))
ASSI { 4004}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 41 and name HA ))
4.400 2.500 1.600 peak 4004 spectrum 1 weight 0.10000E+01 volume 0.90605E-03 ppm1 1.523 ppm2 4.938 CV 1
OR { 4004}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 41 and name HA ))
OR { 4004}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 41 and name HA ))
OR { 4004}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 3 and name HA ))
ASSI { 4006}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 19 and name HB2 ))
3.800 1.800 1.800 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 1.529 ppm2 2.953 CV 1
OR { 4006}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 19 and name HB2 ))
OR { 4006}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 19 and name HB2 ))
OR { 4006}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 18 and name HE2 ))
OR { 4006}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 18 and name HE2 ))
OR { 4006}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 18 and name HE3 ))
OR { 4006}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 18 and name HE2 ))
OR { 4006}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 18 and name HE3 ))
ASSI { 4012}
(( segid "A " and resid 15 and name HG23))
(( segid "B " and resid 5 and name HG ))
2.900 1.100 1.100 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.22890E-02 ppm1 1.531 ppm2 1.832 CV 1
OR { 4012}
(( segid "A " and resid 15 and name HG21))
(( segid "B " and resid 5 and name HG ))
OR { 4012}
(( segid "A " and resid 15 and name HG22))
(( segid "B " and resid 5 and name HG ))
OR { 4012}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 18 and name HB3 ))
OR { 4012}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 18 and name HB3 ))
OR { 4012}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 18 and name HB3 ))
ASSI { 4019}
(( segid "A " and resid 15 and name HG23))
(( segid "A " and resid 37 and name H ))
4.900 3.000 1.100 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.74197E-03 ppm1 1.531 ppm2 7.941 CV 1
OR { 4019}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 37 and name H ))
OR { 4019}
(( segid "A " and resid 15 and name HG21))
(( segid "A " and resid 37 and name H ))
OR { 4019}
(( segid "A " and resid 15 and name HG22))
(( segid "A " and resid 39 and name H ))
ASSI { 4036}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG11))
2.500 0.800 0.800 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.57008E-02 ppm1 4.080 ppm2 1.278 CV 1
OR { 4036}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG13))
OR { 4036}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HG11))
OR { 4036}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HG13))
OR { 4036}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG12))
ASSI { 4037}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HG22))
3.000 1.100 1.100 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.52087E-02 ppm1 4.082 ppm2 0.852 CV 1
OR { 4037}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG22))
OR { 4037}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG21))
OR { 4037}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HG23))
OR { 4037}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HG23))
ASSI { 4038}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HB ))
2.500 0.800 0.800 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 4.083 ppm2 2.391 CV 1
OR { 4038}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HB ))
ASSI { 4040}
(( segid "B " and resid 13 and name HA ))
(( segid "A " and resid 83 and name HB2 ))
3.700 1.700 1.700 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 4.083 ppm2 1.739 CV 1
OR { 4040}
(( segid "B " and resid 13 and name HA ))
(( segid "A " and resid 83 and name HB1 ))
OR { 4040}
(( segid "B " and resid 13 and name HA ))
(( segid "A " and resid 83 and name HB3 ))
OR { 4040}
(( segid "A " and resid 13 and name HA ))
(( segid "B " and resid 83 and name HB3 ))
OR { 4040}
(( segid "A " and resid 13 and name HA ))
(( segid "B " and resid 83 and name HB2 ))
ASSI { 4042}
(( segid "A " and resid 13 and name HB ))
(( segid "A " and resid 13 and name HG13))
2.400 0.700 0.700 peak 4042 spectrum 1 weight 0.10000E+01 volume 0.48252E-02 ppm1 2.393 ppm2 1.278 CV 1
OR { 4042}
(( segid "B " and resid 13 and name HB ))
(( segid "B " and resid 13 and name HG13))
OR { 4042}
(( segid "A " and resid 13 and name HB ))
(( segid "A " and resid 13 and name HG12))
OR { 4042}
(( segid "B " and resid 13 and name HB ))
(( segid "B " and resid 13 and name HG12))
OR { 4042}
(( segid "A " and resid 13 and name HB ))
(( segid "A " and resid 13 and name HG11))
ASSI { 4043}
(( segid "B " and resid 13 and name HB ))
(( segid "B " and resid 10 and name HA ))
4.700 2.700 1.300 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 2.393 ppm2 4.584 CV 1
OR { 4043}
(( segid "A " and resid 13 and name HB ))
(( segid "A " and resid 10 and name HA ))
ASSI { 4057}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name H ))
3.900 1.900 1.900 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 1.285 ppm2 8.806 CV 1
OR { 4057}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name H ))
OR { 4057}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 12 and name H ))
OR { 4057}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 83 and name H ))
OR { 4057}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 83 and name H ))
ASSI { 4059}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 87 and name HA ))
3.000 1.100 1.100 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.49162E-02 ppm1 1.281 ppm2 4.259 CV 1
OR { 4059}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 87 and name HA ))
OR { 4059}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 87 and name HA ))
OR { 4059}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 9 and name HA ))
OR { 4059}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 9 and name HA ))
OR { 4059}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 9 and name HA ))
OR { 4059}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 86 and name HA ))
ASSI { 4061}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 13 and name HA ))
2.300 0.700 0.700 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.13318E-01 ppm1 1.279 ppm2 4.080 CV 1
OR { 4061}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 13 and name HA ))
OR { 4061}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 13 and name HA ))
OR { 4061}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 84 and name HA ))
OR { 4061}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 84 and name HA ))
ASSI { 4066}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 91 and name HB2 ))
3.700 1.700 1.700 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.17516E-02 ppm1 1.277 ppm2 1.885 CV 1
OR { 4066}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 91 and name HB2 ))
OR { 4066}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 91 and name HB2 ))
OR { 4066}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name HE3 ))
OR { 4066}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name HE3 ))
OR { 4066}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 12 and name HE3 ))
OR { 4066}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name HE2 ))
OR { 4066}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name HE1 ))
OR { 4066}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name HE2 ))
OR { 4066}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name HE1 ))
OR { 4066}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 12 and name HE1 ))
ASSI { 4067}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 91 and name HB3 ))
4.000 2.000 2.000 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 1.284 ppm2 1.800 CV 1
OR { 4067}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 91 and name HB3 ))
OR { 4067}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 91 and name HB3 ))
OR { 4067}
(( segid "A " and resid 13 and name HG13))
(( segid "C " and resid 1918 and name HD3 ))
ASSI { 4069}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 12 and name HG2 ))
4.500 2.600 1.500 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 1.281 ppm2 2.839 CV 1
OR { 4069}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 12 and name HG2 ))
OR { 4069}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 84 and name HG3 ))
OR { 4069}
(( segid "A " and resid 13 and name HG11))
(( segid "B " and resid 84 and name HG3 ))
OR { 4069}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 84 and name HG3 ))
ASSI { 4070}
(( segid "A " and resid 13 and name HG13))
(( segid "A " and resid 72 and name HA ))
3.500 1.600 1.600 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.30758E-02 ppm1 1.273 ppm2 3.242 CV 1
OR { 4070}
(( segid "A " and resid 13 and name HG11))
(( segid "A " and resid 72 and name HA ))
OR { 4070}
(( segid "A " and resid 13 and name HG12))
(( segid "A " and resid 72 and name HA ))
OR { 4070}
(( segid "A " and resid 13 and name HG12))
(( segid "B " and resid 89 and name HB2 ))
OR { 4070}
(( segid "A " and resid 13 and name HG13))
(( segid "B " and resid 89 and name HB2 ))
ASSI { 4075}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 13 and name HG12))
1.900 0.500 0.500 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.30823E-01 ppm1 0.853 ppm2 1.278 CV 1
OR { 4075}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 13 and name HG12))
OR { 4075}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 13 and name HG12))
OR { 4075}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 13 and name HG12))
OR { 4075}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 13 and name HG11))
OR { 4075}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 13 and name HG11))
OR { 4075}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 13 and name HG11))
OR { 4075}
(( segid "A " and resid 13 and name HG23))
(( segid "A " and resid 13 and name HG13))
OR { 4075}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 13 and name HG11))
OR { 4075}
(( segid "B " and resid 13 and name HG23))
(( segid "B " and resid 13 and name HG13))
OR { 4075}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 13 and name HG13))
OR { 4075}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 13 and name HG13))
OR { 4075}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 13 and name HG12))
OR { 4075}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 13 and name HG11))
OR { 4075}
(( segid "A " and resid 13 and name HG22))
(( segid "A " and resid 13 and name HG13))
ASSI { 4076}
(( segid "A " and resid 13 and name HG23))
(( segid "B " and resid 91 and name HB2 ))
4.200 2.300 1.800 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.71162E-03 ppm1 0.852 ppm2 1.892 CV 1
OR { 4076}
(( segid "A " and resid 13 and name HG22))
(( segid "B " and resid 91 and name HB2 ))
OR { 4076}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 18 and name HB2 ))
OR { 4076}
(( segid "A " and resid 13 and name HG21))
(( segid "B " and resid 91 and name HB2 ))
OR { 4076}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 12 and name HE1 ))
OR { 4076}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 12 and name HE3 ))
OR { 4076}
(( segid "A " and resid 13 and name HG21))
(( segid "A " and resid 12 and name HE2 ))
OR { 4076}
(( segid "B " and resid 13 and name HG22))
(( segid "B " and resid 18 and name HB3 ))
OR { 4076}
(( segid "B " and resid 13 and name HG21))
(( segid "B " and resid 18 and name HB2 ))
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3.400 1.500 1.500 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.43829E-02 ppm1 0.853 ppm2 1.749 CV 1
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1.900 0.500 0.500 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.17141E-01 ppm1 0.854 ppm2 2.391 CV 1
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4.200 2.200 1.800 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.81762E-03 ppm1 0.851 ppm2 2.584 CV 1
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2.800 1.000 1.000 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.19777E-02 ppm1 0.855 ppm2 3.096 CV 1
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3.200 1.300 1.300 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 0.854 ppm2 4.578 CV 1
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(( segid "A " and resid 10 and name HA ))
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ASSI { 4087}
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(( segid "A " and resid 87 and name HA ))
2.500 0.800 0.800 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.90973E-02 ppm1 0.854 ppm2 4.257 CV 1
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(( segid "A " and resid 87 and name HA ))
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(( segid "A " and resid 13 and name HG23))
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ASSI { 4092}
(( segid "B " and resid 13 and name HG23))
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3.500 1.500 1.500 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.21186E-02 ppm1 0.854 ppm2 8.680 CV 1
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(( segid "B " and resid 12 and name H ))
OR { 4092}
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OR { 4092}
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(( segid "B " and resid 12 and name H ))
ASSI { 4101}
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3.100 1.200 1.200 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 0.856 ppm2 7.143 CV 1
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( segid "A " and resid 90 and name HE% )
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ASSI { 4102}
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( segid "A " and resid 72 and name HE% )
3.500 1.500 1.500 peak 4102 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 0.854 ppm2 6.999 CV 1
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ASSI { 4103}
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(( segid "B " and resid 72 and name HZ ))
3.200 1.300 1.300 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.82239E-02 ppm1 0.854 ppm2 6.925 CV 1
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(( segid "A " and resid 72 and name HZ ))
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(( segid "B " and resid 72 and name HZ ))
ASSI { 4112}
(( segid "A " and resid 12 and name HA ))
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4.300 2.300 1.700 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.82130E-03 ppm1 4.049 ppm2 1.261 CV 1
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OR { 4112}
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(( segid "A " and resid 13 and name HG11))
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ASSI { 4116}
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(( segid "B " and resid 9 and name HD12))
4.000 2.000 2.000 peak 4116 spectrum 1 weight 0.10000E+01 volume 0.11557E-02 ppm1 2.398 ppm2 0.818 CV 1
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(( segid "B " and resid 9 and name HD12))
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(( segid "B " and resid 12 and name HB3 ))
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(( segid "B " and resid 9 and name HD13))
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ASSI { 4127}
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(( segid "B " and resid 9 and name HA ))
3.800 1.800 1.800 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.80851E-03 ppm1 2.697 ppm2 4.154 CV 1
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ASSI { 4130}
(( segid "B " and resid 12 and name HG2 ))
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2.600 0.800 0.800 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.28829E-02 ppm1 2.697 ppm2 1.878 CV 1
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(( segid "B " and resid 12 and name HE3 ))
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3.500 1.500 1.500 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.34249E-02 ppm1 2.396 ppm2 1.264 CV 1
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3.100 1.200 1.200 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.30325E-02 ppm1 1.878 ppm2 0.675 CV 1
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2.500 2.500 3.500 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.24364E-02 ppm1 1.879 ppm2 0.559 CV 1
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2.200 0.600 0.600 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.87115E-02 ppm1 1.878 ppm2 1.030 CV 1
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3.400 1.500 1.500 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.30086E-02 ppm1 1.878 ppm2 3.429 CV 1
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ASSI { 4159}
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ASSI { 4164}
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3.600 1.600 1.600 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 1.878 ppm2 7.003 CV 1
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( segid "B " and resid 78 and name HD% )
ASSI { 4165}
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3.400 1.500 1.500 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.34659E-02 ppm1 1.878 ppm2 6.914 CV 1
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ASSI { 4264}
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3.900 1.900 1.900 peak 4264 spectrum 1 weight 0.10000E+01 volume 0.97759E-03 ppm1 0.958 ppm2 7.750 CV 1
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ASSI { 4272}
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3.400 1.500 1.500 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.84819E-03 ppm1 3.954 ppm2 3.038 CV 1
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ASSI { 4274}
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4.500 2.500 1.500 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 3.946 ppm2 1.690 CV 1
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(( segid "A " and resid 11 and name HA ))
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(( segid "B " and resid 11 and name HA ))
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(( segid "A " and resid 11 and name HA ))
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(( segid "A " and resid 11 and name HA ))
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(( segid "A " and resid 11 and name HA ))
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ASSI { 4279}
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3.800 1.800 1.800 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.25621E-02 ppm1 2.380 ppm2 4.159 CV 1
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1.700 0.400 0.500 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.54861E-01 ppm1 1.258 ppm2 0.946 CV 1
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ASSI { 4281}
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2.700 0.900 0.900 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.15349E-01 ppm1 1.259 ppm2 1.691 CV 1
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(( segid "B " and resid 8 and name HB1 ))
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ASSI { 4283}
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3.400 1.500 1.500 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.30888E-02 ppm1 1.256 ppm2 1.586 CV 1
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(( segid "A " and resid 7 and name HG3 ))
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ASSI { 4284}
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(( segid "B " and resid 7 and name HD3 ))
2.900 1.000 1.000 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.38366E-02 ppm1 1.257 ppm2 1.812 CV 1
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ASSI { 4285}
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2.100 0.500 0.500 peak 4285 spectrum 1 weight 0.10000E+01 volume 0.88177E-02 ppm1 1.258 ppm2 2.185 CV 1
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ASSI { 4286}
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3.600 1.600 1.600 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.27290E-02 ppm1 1.258 ppm2 2.074 CV 1
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(( segid "A " and resid 11 and name HG12))
(( segid "A " and resid 7 and name HB2 ))
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(( segid "B " and resid 7 and name HB2 ))
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(( segid "A " and resid 7 and name HB2 ))
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ASSI { 4287}
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2.600 0.800 0.800 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.21476E-02 ppm1 1.258 ppm2 1.981 CV 1
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ASSI { 4289}
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2.900 1.000 1.000 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.70836E-02 ppm1 1.258 ppm2 2.551 CV 1
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ASSI { 4290}
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2.300 0.700 0.700 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.11111E-01 ppm1 1.258 ppm2 3.062 CV 1
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(( segid "A " and resid 7 and name HE3 ))
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ASSI { 4291}
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2.500 0.800 0.800 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.52262E-02 ppm1 1.258 ppm2 3.010 CV 1
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2.800 1.000 1.000 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.51480E-02 ppm1 1.259 ppm2 4.276 CV 1
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2.500 0.800 0.800 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.12969E-01 ppm1 1.258 ppm2 4.159 CV 1
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ASSI { 4295}
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2.900 1.100 1.100 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.30541E-02 ppm1 1.258 ppm2 4.336 CV 1
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ASSI { 4296}
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3.400 1.500 1.500 peak 4296 spectrum 1 weight 0.10000E+01 volume 0.40035E-02 ppm1 1.260 ppm2 4.064 CV 1
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3.300 1.300 1.300 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.23995E-02 ppm1 1.257 ppm2 8.241 CV 1
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ASSI { 4308}
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3.300 1.300 1.300 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 1.256 ppm2 8.303 CV 1
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(( segid "B " and resid 11 and name HB ))
1.900 0.500 0.500 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.15663E-01 ppm1 0.950 ppm2 2.373 CV 1
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(( segid "A " and resid 11 and name HB ))
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(( segid "B " and resid 11 and name HB ))
ASSI { 4310}
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2.900 1.100 1.100 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.82866E-02 ppm1 0.948 ppm2 2.184 CV 1
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ASSI { 4315}
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3.100 1.200 1.200 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.51393E-02 ppm1 0.951 ppm2 2.554 CV 1
OR { 4315}
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(( segid "A " and resid 11 and name HG22))
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ASSI { 4316}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 11 and name HA ))
2.600 0.800 0.800 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.92816E-02 ppm1 0.950 ppm2 3.944 CV 1
OR { 4316}
(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 11 and name HA ))
OR { 4316}
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OR { 4316}
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(( segid "B " and resid 11 and name HA ))
ASSI { 4317}
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(( segid "B " and resid 5 and name HA ))
2.100 0.500 0.500 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.93837E-02 ppm1 0.948 ppm2 4.292 CV 1
OR { 4317}
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(( segid "A " and resid 5 and name HA ))
ASSI { 4318}
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(( segid "A " and resid 12 and name HA ))
3.000 1.100 1.100 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.31582E-02 ppm1 0.951 ppm2 4.066 CV 1
OR { 4318}
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(( segid "B " and resid 12 and name HA ))
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(( segid "B " and resid 12 and name HA ))
ASSI { 4319}
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(( segid "A " and resid 8 and name HA ))
2.500 0.800 0.800 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.43222E-02 ppm1 0.949 ppm2 4.159 CV 1
OR { 4319}
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(( segid "A " and resid 8 and name HA ))
OR { 4319}
(( segid "B " and resid 11 and name HG23))
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(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 8 and name HA ))
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ASSI { 4323}
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(( segid "B " and resid 6 and name H ))
3.900 1.900 1.900 peak 4323 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 0.951 ppm2 7.090 CV 1
OR { 4323}
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(( segid "A " and resid 6 and name H ))
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(( segid "B " and resid 6 and name H ))
ASSI { 4324}
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(( segid "A " and resid 9 and name H ))
4.100 2.100 1.900 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.82520E-03 ppm1 0.942 ppm2 7.824 CV 1
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(( segid "A " and resid 9 and name H ))
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(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 9 and name H ))
OR { 4324}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 9 and name H ))
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(( segid "A " and resid 62 and name HD12))
(( segid "A " and resid 82 and name H ))
ASSI { 4328}
(( segid "A " and resid 11 and name HG21))
(( segid "B " and resid 8 and name HB3 ))
2.300 0.700 0.700 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.13617E-01 ppm1 0.950 ppm2 1.688 CV 1
OR { 4328}
(( segid "A " and resid 11 and name HG22))
(( segid "B " and resid 8 and name HB3 ))
OR { 4328}
(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 8 and name HB3 ))
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(( segid "B " and resid 8 and name HB3 ))
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(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 8 and name HB3 ))
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(( segid "B " and resid 8 and name HB2 ))
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(( segid "A " and resid 8 and name HB2 ))
OR { 4328}
(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 8 and name HB3 ))
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(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 8 and name HB2 ))
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(( segid "A " and resid 8 and name HB2 ))
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(( segid "B " and resid 11 and name HG23))
(( segid "A " and resid 8 and name HB1 ))
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(( segid "B " and resid 11 and name HG21))
(( segid "A " and resid 8 and name HB1 ))
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(( segid "A " and resid 8 and name HB1 ))
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(( segid "A " and resid 8 and name HB2 ))
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(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 8 and name HB2 ))
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(( segid "A " and resid 8 and name HB2 ))
OR { 4328}
(( segid "B " and resid 11 and name HG21))
(( segid "B " and resid 8 and name HB2 ))
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(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 8 and name HB3 ))
OR { 4328}
(( segid "B " and resid 11 and name HG21))
(( segid "B " and resid 8 and name HB3 ))
ASSI { 4329}
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(( segid "B " and resid 15 and name HG21))
3.800 1.800 1.800 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.23757E-02 ppm1 0.952 ppm2 1.533 CV 1
OR { 4329}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 15 and name HG21))
OR { 4329}
(( segid "B " and resid 11 and name HG23))
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OR { 4329}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 15 and name HG23))
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(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 15 and name HG21))
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(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 15 and name HG21))
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(( segid "B " and resid 15 and name HG21))
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(( segid "A " and resid 15 and name HG21))
OR { 4329}
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(( segid "B " and resid 15 and name HG23))
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(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 15 and name HG23))
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(( segid "B " and resid 11 and name HG21))
(( segid "B " and resid 15 and name HG23))
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(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 15 and name HG23))
OR { 4329}
(( segid "B " and resid 11 and name HG23))
(( segid "B " and resid 15 and name HG22))
OR { 4329}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 15 and name HG22))
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(( segid "B " and resid 11 and name HG22))
(( segid "B " and resid 15 and name HG22))
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(( segid "A " and resid 15 and name HG22))
OR { 4329}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 15 and name HG22))
ASSI { 4331}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 7 and name HE3 ))
3.700 1.700 1.700 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 0.951 ppm2 3.062 CV 1
OR { 4331}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 7 and name HE3 ))
OR { 4331}
(( segid "A " and resid 11 and name HG22))
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OR { 4331}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 7 and name HE2 ))
OR { 4331}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 7 and name HE2 ))
OR { 4331}
(( segid "A " and resid 11 and name HG22))
(( segid "A " and resid 7 and name HE2 ))
OR { 4331}
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(( segid "A " and resid 16 and name HB2 ))
OR { 4331}
(( segid "A " and resid 11 and name HG23))
(( segid "A " and resid 16 and name HB2 ))
OR { 4331}
(( segid "A " and resid 11 and name HG21))
(( segid "A " and resid 16 and name HB2 ))
OR { 4331}
(( segid "B " and resid 11 and name HG22))
(( segid "A " and resid 86 and name HB3 ))
ASSI { 4347}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 11 and name H ))
3.100 1.200 1.200 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.22196E-02 ppm1 4.558 ppm2 8.449 CV 1
OR { 4347}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 13 and name H ))
ASSI { 4355}
(( segid "A " and resid 96 and name HE3 ))
(( segid "A " and resid 96 and name HD2 ))
2.000 0.500 0.500 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.16805E-01 ppm1 3.027 ppm2 1.721 CV 1
OR { 4355}
(( segid "B " and resid 96 and name HE2 ))
(( segid "B " and resid 96 and name HD3 ))
OR { 4355}
(( segid "A " and resid 96 and name HE2 ))
(( segid "A " and resid 96 and name HD3 ))
OR { 4355}
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(( segid "B " and resid 96 and name HD2 ))
OR { 4355}
(( segid "B " and resid 96 and name HE2 ))
(( segid "B " and resid 96 and name HD2 ))
OR { 4355}
(( segid "B " and resid 96 and name HE3 ))
(( segid "B " and resid 96 and name HD3 ))
OR { 4355}
(( segid "A " and resid 96 and name HE2 ))
(( segid "A " and resid 96 and name HD2 ))
OR { 4355}
(( segid "A " and resid 96 and name HE3 ))
(( segid "A " and resid 96 and name HD3 ))
ASSI { 4371}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 6 and name HA ))
3.700 1.700 1.700 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.74197E-03 ppm1 2.188 ppm2 4.068 CV 1
OR { 4371}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 6 and name HA ))
ASSI { 4372}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HG ))
2.900 1.000 1.000 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.10708E-02 ppm1 2.184 ppm2 1.918 CV 1
OR { 4372}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 9 and name HG ))
ASSI { 4374}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HD12))
3.400 1.400 1.400 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 2.195 ppm2 0.817 CV 1
OR { 4374}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 9 and name HD12))
OR { 4374}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HD13))
OR { 4374}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HD11))
OR { 4374}
(( segid "B " and resid 9 and name HB2 ))
(( segid "B " and resid 9 and name HD11))
ASSI { 4399}
(( segid "B " and resid 9 and name HD13))
(( segid "A " and resid 79 and name HG ))
3.300 1.400 1.400 peak 4399 spectrum 1 weight 0.10000E+01 volume 0.33445E-02 ppm1 0.814 ppm2 1.268 CV 1
OR { 4399}
(( segid "B " and resid 9 and name HD11))
(( segid "A " and resid 79 and name HG ))
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(( segid "B " and resid 9 and name HD12))
(( segid "A " and resid 79 and name HG ))
OR { 4399}
(( segid "B " and resid 9 and name HD12))
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(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 13 and name HG12))
OR { 4399}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 13 and name HG13))
ASSI { 4403}
(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 9 and name HG ))
1.900 0.400 0.400 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.14790E-01 ppm1 0.815 ppm2 1.896 CV 1
OR { 4403}
(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 9 and name HG ))
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(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 9 and name HG ))
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(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 9 and name HD12))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 12 and name HE3 ))
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(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HE3 ))
ASSI { 4411}
(( segid "B " and resid 9 and name HD13))
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OR { 4411}
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(( segid "B " and resid 6 and name HA ))
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(( segid "B " and resid 9 and name HD11))
(( segid "B " and resid 6 and name HA ))
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(( segid "B " and resid 9 and name HD12))
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(( segid "B " and resid 9 and name HD13))
(( segid "B " and resid 12 and name HA ))
ASSI { 4425}
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(( segid "A " and resid 8 and name H ))
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(( segid "A " and resid 8 and name H ))
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(( segid "B " and resid 9 and name HD22))
(( segid "A " and resid 80 and name H ))
ASSI { 4426}
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(( segid "B " and resid 8 and name H ))
3.700 1.700 1.700 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.98605E-03 ppm1 0.676 ppm2 8.243 CV 1
OR { 4426}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 8 and name H ))
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(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 8 and name H ))
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(( segid "A " and resid 9 and name HD21))
(( segid "B " and resid 80 and name H ))
ASSI { 4428}
(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 9 and name HA ))
3.600 1.700 1.700 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.21370E-02 ppm1 0.675 ppm2 4.144 CV 1
OR { 4428}
(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 9 and name HA ))
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(( segid "B " and resid 9 and name HD23))
(( segid "B " and resid 9 and name HA ))
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(( segid "B " and resid 9 and name HD22))
(( segid "B " and resid 8 and name HA ))
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(( segid "B " and resid 9 and name HD21))
(( segid "B " and resid 8 and name HA ))
ASSI { 4429}
(( segid "B " and resid 9 and name HD22))
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(( segid "A " and resid 6 and name HA ))
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(( segid "A " and resid 9 and name HD23))
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(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 6 and name HA ))
ASSI { 4431}
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(( segid "A " and resid 86 and name HB2 ))
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(( segid "B " and resid 9 and name HD21))
(( segid "A " and resid 86 and name HB2 ))
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ASSI { 4432}
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(( segid "B " and resid 9 and name HB2 ))
2.100 0.600 0.600 peak 4432 spectrum 1 weight 0.10000E+01 volume 0.93249E-02 ppm1 0.674 ppm2 2.185 CV 1
OR { 4432}
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(( segid "A " and resid 9 and name HD21))
(( segid "A " and resid 9 and name HB2 ))
ASSI { 4433}
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(( segid "B " and resid 12 and name HG3 ))
3.700 1.700 1.700 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.20577E-02 ppm1 0.676 ppm2 2.407 CV 1
OR { 4433}
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(( segid "B " and resid 9 and name HD21))
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(( segid "B " and resid 9 and name HD23))
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(( segid "A " and resid 9 and name HD21))
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ASSI { 4434}
(( segid "A " and resid 9 and name HD22))
(( segid "A " and resid 12 and name HB2 ))
4.400 2.400 1.600 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.90563E-03 ppm1 0.675 ppm2 2.574 CV 1
OR { 4434}
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OR { 4434}
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OR { 4524}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 5 and name HD21))
OR { 4524}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 5 and name HD23))
OR { 4524}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 5 and name HD23))
OR { 4524}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 5 and name HD23))
OR { 4524}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 5 and name HD22))
OR { 4524}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 5 and name HD22))
ASSI { 4525}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG12))
2.800 0.900 0.900 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.96697E-02 ppm1 1.691 ppm2 1.258 CV 1
OR { 4525}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG12))
OR { 4525}
(( segid "B " and resid 8 and name HB1 ))
(( segid "A " and resid 79 and name HG ))
OR { 4525}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "B " and resid 8 and name HB2 ))
(( segid "A " and resid 79 and name HG ))
OR { 4525}
(( segid "B " and resid 8 and name HB3 ))
(( segid "A " and resid 79 and name HG ))
OR { 4525}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG12))
OR { 4525}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG11))
OR { 4525}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG11))
OR { 4525}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG11))
OR { 4525}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 11 and name HG12))
OR { 4525}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG12))
OR { 4525}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 11 and name HG12))
OR { 4525}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG12))
OR { 4525}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 11 and name HG12))
OR { 4525}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG12))
OR { 4525}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 11 and name HG13))
OR { 4525}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG13))
OR { 4525}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HG11))
OR { 4525}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HG11))
OR { 4525}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HG11))
ASSI { 4526}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 5 and name HD21))
2.600 0.800 0.800 peak 4526 spectrum 1 weight 0.10000E+01 volume 0.69493E-02 ppm1 1.692 ppm2 1.098 CV 1
OR { 4526}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 5 and name HD21))
OR { 4526}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 5 and name HD21))
OR { 4526}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 5 and name HD23))
OR { 4526}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 5 and name HD23))
OR { 4526}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 5 and name HD23))
OR { 4526}
(( segid "B " and resid 8 and name HB1 ))
(( segid "A " and resid 82 and name HG13))
OR { 4526}
(( segid "B " and resid 8 and name HB2 ))
(( segid "A " and resid 82 and name HG13))
OR { 4526}
(( segid "B " and resid 8 and name HB3 ))
(( segid "A " and resid 82 and name HG13))
OR { 4526}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 5 and name HD21))
OR { 4526}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 5 and name HD21))
OR { 4526}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 5 and name HD21))
ASSI { 4527}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 7 and name HB3 ))
3.800 1.800 1.800 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.14837E-02 ppm1 1.689 ppm2 1.987 CV 1
OR { 4527}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4527}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 7 and name HB3 ))
OR { 4527}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4527}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 7 and name HB3 ))
OR { 4527}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4527}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 7 and name HB3 ))
ASSI { 4528}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 5 and name HA ))
2.200 0.600 0.600 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.12611E-01 ppm1 1.690 ppm2 4.287 CV 1
OR { 4528}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 5 and name HA ))
OR { 4528}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 5 and name HA ))
OR { 4528}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 5 and name HA ))
OR { 4528}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 5 and name HA ))
OR { 4528}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 5 and name HA ))
OR { 4528}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 7 and name HA ))
OR { 4528}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 5 and name HA ))
ASSI { 4529}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name HA ))
1.800 0.400 0.400 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.30563E-01 ppm1 1.690 ppm2 4.162 CV 1
OR { 4529}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 8 and name HA ))
OR { 4529}
(( segid "B " and resid 8 and name HB2 ))
(( segid "A " and resid 8 and name HA ))
OR { 4529}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name HA ))
OR { 4529}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 8 and name HA ))
OR { 4529}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 8 and name HA ))
OR { 4529}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name HA ))
OR { 4529}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 8 and name HA ))
OR { 4529}
(( segid "B " and resid 8 and name HB3 ))
(( segid "A " and resid 8 and name HA ))
OR { 4529}
(( segid "B " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name HA ))
ASSI { 4530}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 6 and name HA ))
3.300 1.300 1.300 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.20883E-02 ppm1 1.691 ppm2 4.059 CV 1
OR { 4530}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 6 and name HA ))
OR { 4530}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 6 and name HA ))
OR { 4530}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 6 and name HA ))
OR { 4530}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 12 and name HA ))
OR { 4530}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 12 and name HA ))
OR { 4530}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 6 and name HA ))
OR { 4530}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 12 and name HA ))
OR { 4530}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 6 and name HA ))
OR { 4530}
(( segid "B " and resid 8 and name HB1 ))
(( segid "B " and resid 12 and name HA ))
OR { 4530}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 12 and name HA ))
OR { 4530}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 12 and name HA ))
ASSI { 4532}
(( segid "B " and resid 8 and name HB1 ))
(( segid "A " and resid 80 and name HA ))
4.200 2.200 1.800 peak 4532 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 1.690 ppm2 3.948 CV 1
OR { 4532}
(( segid "B " and resid 8 and name HB2 ))
(( segid "A " and resid 80 and name HA ))
OR { 4532}
(( segid "B " and resid 8 and name HB3 ))
(( segid "A " and resid 80 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 80 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 80 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 11 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 80 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 83 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB2 ))
(( segid "B " and resid 83 and name HA ))
OR { 4532}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 83 and name HA ))
OR { 4532}
(( segid "B " and resid 8 and name HB2 ))
(( segid "B " and resid 11 and name HA ))
OR { 4532}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 11 and name HA ))
ASSI { 4533}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 6 and name H ))
3.300 1.400 1.400 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 1.690 ppm2 7.091 CV 1
OR { 4533}
(( segid "B " and resid 8 and name HB3 ))
(( segid "B " and resid 6 and name H ))
OR { 4533}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 6 and name H ))
OR { 4533}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 6 and name H ))
ASSI { 4536}
(( segid "A " and resid 8 and name HB3 ))
(( segid "A " and resid 7 and name H ))
2.600 2.600 3.400 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 1.690 ppm2 8.053 CV 1
OR { 4536}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 7 and name H ))
OR { 4536}
(( segid "A " and resid 8 and name HB2 ))
(( segid "A " and resid 7 and name H ))
OR { 4536}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 45 and name H ))
OR { 4536}
(( segid "A " and resid 8 and name HB3 ))
(( segid "B " and resid 45 and name H ))
ASSI { 4561}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name HE3 ))
4.000 2.000 2.000 peak 4561 spectrum 1 weight 0.10000E+01 volume 0.15338E-02 ppm1 2.072 ppm2 3.059 CV 1
OR { 4561}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 4561}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 4561}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name HE2 ))
ASSI { 4562}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name HD3 ))
3.600 1.600 1.600 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 2.066 ppm2 1.801 CV 1
OR { 4562}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HD3 ))
OR { 4562}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HD2 ))
OR { 4562}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name HD2 ))
ASSI { 4563}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 4 and name HA ))
3.100 1.200 1.200 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 2.070 ppm2 4.339 CV 1
OR { 4563}
(( segid "B " and resid 7 and name HB2 ))
(( segid "A " and resid 4 and name HA ))
OR { 4563}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 4 and name HA ))
ASSI { 4564}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 7 and name HA ))
2.800 1.000 1.000 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 2.072 ppm2 4.267 CV 1
OR { 4564}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 7 and name HA ))
ASSI { 4569}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 6 and name H ))
4.100 2.100 1.900 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.64095E-03 ppm1 2.061 ppm2 7.099 CV 1
OR { 4569}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 6 and name H ))
ASSI { 4570}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 6 and name H ))
4.600 2.700 1.400 peak 4570 spectrum 1 weight 0.10000E+01 volume 0.66177E-03 ppm1 1.984 ppm2 7.108 CV 1
OR { 4570}
(( segid "B " and resid 7 and name HB3 ))
(( segid "B " and resid 6 and name H ))
ASSI { 4574}
(( segid "A " and resid 7 and name HB3 ))
(( segid "B " and resid 4 and name HA ))
2.700 0.900 0.900 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.22803E-02 ppm1 1.980 ppm2 4.338 CV 1
OR { 4574}
(( segid "B " and resid 7 and name HB3 ))
(( segid "A " and resid 4 and name HA ))
ASSI { 4575}
(( segid "B " and resid 7 and name HB3 ))
(( segid "B " and resid 7 and name HA ))
2.400 0.700 0.700 peak 4575 spectrum 1 weight 0.10000E+01 volume 0.36697E-02 ppm1 1.981 ppm2 4.266 CV 1
OR { 4575}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HA ))
ASSI { 4576}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HE3 ))
3.300 1.400 1.400 peak 4576 spectrum 1 weight 0.10000E+01 volume 0.14284E-02 ppm1 1.980 ppm2 3.065 CV 1
OR { 4576}
(( segid "B " and resid 7 and name HB3 ))
(( segid "B " and resid 7 and name HE3 ))
OR { 4576}
(( segid "A " and resid 7 and name HB3 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 4576}
(( segid "B " and resid 7 and name HB3 ))
(( segid "B " and resid 7 and name HE2 ))
ASSI { 4578}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 11 and name HG12))
4.300 2.300 1.700 peak 4578 spectrum 1 weight 0.10000E+01 volume 0.90605E-03 ppm1 2.069 ppm2 1.255 CV 1
OR { 4578}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 11 and name HG12))
OR { 4578}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 11 and name HG13))
OR { 4578}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 11 and name HG13))
OR { 4578}
(( segid "B " and resid 7 and name HB2 ))
(( segid "B " and resid 11 and name HG11))
ASSI { 4584}
(( segid "A " and resid 7 and name HD3 ))
(( segid "B " and resid 4 and name HA ))
3.100 1.200 1.200 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.28244E-02 ppm1 1.804 ppm2 4.343 CV 1
OR { 4584}
(( segid "A " and resid 7 and name HD2 ))
(( segid "B " and resid 4 and name HA ))
OR { 4584}
(( segid "B " and resid 7 and name HD3 ))
(( segid "A " and resid 4 and name HA ))
OR { 4584}
(( segid "A " and resid 22 and name HD3 ))
(( segid "A " and resid 19 and name HA ))
OR { 4584}
(( segid "B " and resid 22 and name HD3 ))
(( segid "B " and resid 19 and name HA ))
ASSI { 4588}
(( segid "A " and resid 7 and name HG2 ))
(( segid "A " and resid 7 and name HB3 ))
2.700 0.900 0.900 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.51458E-02 ppm1 1.625 ppm2 1.980 CV 1
OR { 4588}
(( segid "B " and resid 7 and name HG2 ))
(( segid "B " and resid 7 and name HB3 ))
ASSI { 4591}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 9 and name H ))
3.400 1.500 1.500 peak 4591 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 4.068 ppm2 7.744 CV 1
OR { 4591}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 10 and name H ))
ASSI { 4593}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 7 and name H ))
3.600 1.600 1.600 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.88329E-03 ppm1 4.067 ppm2 8.247 CV 1
OR { 4593}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 8 and name H ))
ASSI { 4594}
(( segid "B " and resid 6 and name HA ))
(( segid "A " and resid 43 and name HD3 ))
3.600 1.600 1.600 peak 4594 spectrum 1 weight 0.10000E+01 volume 0.16318E-02 ppm1 4.061 ppm2 3.223 CV 1
OR { 4594}
(( segid "A " and resid 6 and name HA ))
(( segid "B " and resid 43 and name HD3 ))
ASSI { 4595}
(( segid "B " and resid 6 and name HA ))
(( segid "A " and resid 41 and name HB2 ))
3.700 1.700 1.700 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 4.067 ppm2 2.413 CV 1
OR { 4595}
(( segid "A " and resid 6 and name HA ))
(( segid "B " and resid 41 and name HB2 ))
ASSI { 4596}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
2.600 0.800 0.800 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.27485E-02 ppm1 4.062 ppm2 2.207 CV 1
OR { 4596}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 6 and name HB2 ))
OR { 4596}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB3 ))
OR { 4596}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 6 and name HB3 ))
ASSI { 4597}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 9 and name HD22))
2.700 0.900 0.900 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.28656E-02 ppm1 4.063 ppm2 0.676 CV 1
OR { 4597}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD22))
OR { 4597}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 9 and name HD23))
OR { 4597}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD23))
OR { 4597}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD21))
ASSI { 4598}
(( segid "B " and resid 6 and name HA ))
(( segid "A " and resid 42 and name HD11))
3.400 1.500 1.500 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 4.069 ppm2 0.864 CV 1
OR { 4598}
(( segid "B " and resid 6 and name HA ))
(( segid "A " and resid 42 and name HD13))
OR { 4598}
(( segid "A " and resid 6 and name HA ))
(( segid "B " and resid 37 and name HD21))
OR { 4598}
(( segid "A " and resid 6 and name HA ))
(( segid "B " and resid 37 and name HD22))
ASSI { 4601}
(( segid "B " and resid 41 and name HB3 ))
(( segid "A " and resid 6 and name H ))
2.900 1.100 1.100 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.75498E-03 ppm1 2.191 ppm2 7.088 CV 1
OR { 4601}
(( segid "B " and resid 6 and name HB2 ))
(( segid "B " and resid 6 and name H ))
OR { 4601}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name H ))
OR { 4601}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 6 and name H ))
ASSI { 4602}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 6 and name H ))
3.400 1.400 1.400 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.66784E-03 ppm1 4.293 ppm2 7.098 CV 1
OR { 4602}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 6 and name H ))
ASSI { 4611}
(( segid "B " and resid 5 and name HG ))
(( segid "A " and resid 42 and name HD13))
2.700 0.900 0.900 peak 4611 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 1.836 ppm2 0.872 CV 1
OR { 4611}
(( segid "B " and resid 5 and name HG ))
(( segid "A " and resid 37 and name HD22))
OR { 4611}
(( segid "B " and resid 5 and name HG ))
(( segid "A " and resid 37 and name HD21))
OR { 4611}
(( segid "B " and resid 5 and name HG ))
(( segid "A " and resid 37 and name HD23))
OR { 4611}
(( segid "B " and resid 5 and name HG ))
(( segid "A " and resid 42 and name HD11))
ASSI { 4612}
(( segid "A " and resid 5 and name HG ))
(( segid "B " and resid 42 and name HD22))
4.100 2.100 1.900 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 1.832 ppm2 0.683 CV 1
OR { 4612}
(( segid "A " and resid 5 and name HG ))
(( segid "B " and resid 42 and name HD23))
OR { 4612}
(( segid "A " and resid 5 and name HG ))
(( segid "B " and resid 42 and name HD21))
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(( segid "A " and resid 5 and name HG ))
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ASSI { 4642}
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(( segid "A " and resid 8 and name HA ))
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(( segid "B " and resid 8 and name HA ))
ASSI { 4647}
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(( segid "A " and resid 11 and name HB ))
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ASSI { 4648}
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(( segid "A " and resid 41 and name HB3 ))
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(( segid "B " and resid 6 and name HB3 ))
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(( segid "B " and resid 9 and name HB2 ))
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(( segid "B " and resid 6 and name HB3 ))
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(( segid "B " and resid 9 and name HB2 ))
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(( segid "B " and resid 9 and name HB2 ))
ASSI { 4653}
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(( segid "A " and resid 12 and name HE1 ))
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(( segid "A " and resid 12 and name HE3 ))
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(( segid "B " and resid 12 and name HE2 ))
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(( segid "B " and resid 12 and name HE2 ))
ASSI { 4655}
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(( segid "A " and resid 79 and name HG ))
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OR { 4655}
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(( segid "A " and resid 79 and name HG ))
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(( segid "A " and resid 79 and name HG ))
ASSI { 4657}
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(( segid "A " and resid 37 and name HD22))
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(( segid "B " and resid 9 and name HD21))
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(( segid "B " and resid 9 and name HD21))
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(( segid "B " and resid 9 and name HD23))
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ASSI { 4665}
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( segid "A " and resid 78 and name HE% )
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( segid "A " and resid 78 and name HE% )
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( segid "A " and resid 45 and name HE% )
ASSI { 4666}
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( segid "A " and resid 78 and name HE% )
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( segid "A " and resid 78 and name HE% )
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(( segid "A " and resid 11 and name H ))
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(( segid "A " and resid 11 and name H ))
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(( segid "A " and resid 8 and name H ))
ASSI { 4698}
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(( segid "A " and resid 8 and name HA ))
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(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 8 and name HA ))
ASSI { 4703}
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(( segid "B " and resid 12 and name HE1 ))
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(( segid "B " and resid 12 and name HE1 ))
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(( segid "A " and resid 5 and name HD22))
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(( segid "A " and resid 5 and name HD21))
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(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 12 and name HE2 ))
ASSI { 4705}
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(( segid "A " and resid 8 and name HB2 ))
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(( segid "A " and resid 5 and name HD23))
(( segid "A " and resid 8 and name HB1 ))
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(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 8 and name HB2 ))
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(( segid "A " and resid 5 and name HD22))
(( segid "A " and resid 8 and name HB1 ))
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(( segid "A " and resid 5 and name HD21))
(( segid "A " and resid 9 and name HD22))
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(( segid "A " and resid 5 and name HD21))
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(( segid "A " and resid 9 and name HD21))
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(( segid "A " and resid 5 and name HD21))
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(( segid "A " and resid 5 and name HD22))
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(( segid "A " and resid 5 and name HD21))
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(( segid "A " and resid 5 and name HD22))
(( segid "B " and resid 42 and name HD23))
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(( segid "A " and resid 5 and name HD23))
(( segid "B " and resid 42 and name HD21))
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(( segid "A " and resid 5 and name HD21))
(( segid "B " and resid 42 and name HD21))
ASSI { 4713}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name HB3 ))
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OR { 4713}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 6 and name HB3 ))
OR { 4713}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 6 and name HB2 ))
OR { 4713}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
OR { 4713}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4713}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 4 and name HG3 ))
ASSI { 4714}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 4 and name HG2 ))
4.300 2.300 1.700 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 4.924 ppm2 2.374 CV 1
OR { 4714}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 4 and name HG2 ))
ASSI { 4715}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 4 and name HB2 ))
4.100 2.100 1.900 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.93142E-03 ppm1 4.926 ppm2 2.547 CV 1
OR { 4715}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 4716}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HB3 ))
2.400 0.700 0.700 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.23540E-02 ppm1 4.925 ppm2 2.958 CV 1
OR { 4716}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB3 ))
ASSI { 4719}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name HA ))
3.300 3.300 2.700 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.11211E-01 ppm1 4.925 ppm2 4.065 CV 1
OR { 4719}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 6 and name HA ))
ASSI { 4720}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 2 and name HB1 ))
4.900 2.900 1.100 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.83105E-03 ppm1 4.924 ppm2 1.486 CV 1
OR { 4720}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 2 and name HB1 ))
OR { 4720}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 2 and name HB3 ))
OR { 4720}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 2 and name HB2 ))
OR { 4720}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 2 and name HB2 ))
ASSI { 4723}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name H ))
4.000 2.000 2.000 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.65677E-03 ppm1 4.933 ppm2 7.105 CV 1
OR { 4723}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 6 and name H ))
ASSI { 4728}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 6 and name HA ))
4.100 2.100 1.900 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.20839E-02 ppm1 2.961 ppm2 4.061 CV 1
OR { 4728}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 6 and name HA ))
ASSI { 4731}
(( segid "B " and resid 3 and name HB3 ))
(( segid "A " and resid 43 and name HD3 ))
3.500 1.500 1.500 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.13090E-02 ppm1 2.968 ppm2 3.222 CV 1
OR { 4731}
(( segid "A " and resid 3 and name HB3 ))
(( segid "B " and resid 43 and name HD3 ))
ASSI { 4732}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 6 and name H ))
3.400 1.400 1.400 peak 4732 spectrum 1 weight 0.10000E+01 volume 0.11022E-02 ppm1 2.966 ppm2 7.103 CV 1
OR { 4732}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 6 and name H ))
ASSI { 4734}
(( segid "B " and resid 3 and name HB3 ))
(( segid "A " and resid 41 and name HB3 ))
3.800 1.800 1.800 peak 4734 spectrum 1 weight 0.10000E+01 volume 0.11031E-02 ppm1 2.962 ppm2 2.187 CV 1
OR { 4734}
(( segid "A " and resid 3 and name HB3 ))
(( segid "B " and resid 41 and name HB3 ))
OR { 4734}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4734}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 4 and name HG3 ))
ASSI { 4735}
(( segid "B " and resid 3 and name HB3 ))
(( segid "A " and resid 41 and name HB2 ))
4.700 2.800 1.300 peak 4735 spectrum 1 weight 0.10000E+01 volume 0.75217E-03 ppm1 2.956 ppm2 2.416 CV 1
OR { 4735}
(( segid "A " and resid 3 and name HB3 ))
(( segid "B " and resid 41 and name HB2 ))
ASSI { 4736}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 4 and name HB2 ))
4.600 2.700 1.400 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.67520E-03 ppm1 2.955 ppm2 2.561 CV 1
OR { 4736}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 4739}
(( segid "B " and resid 3 and name HB2 ))
(( segid "B " and resid 4 and name HD2 ))
4.300 2.300 1.700 peak 4739 spectrum 1 weight 0.10000E+01 volume 0.15776E-02 ppm1 3.575 ppm2 4.047 CV 1
OR { 4739}
(( segid "B " and resid 3 and name HB2 ))
(( segid "B " and resid 6 and name HA ))
ASSI { 4745}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 7 and name HE2 ))
3.800 1.800 1.800 peak 4745 spectrum 1 weight 0.10000E+01 volume 0.18238E-02 ppm1 4.480 ppm2 3.069 CV 1
OR { 4745}
(( segid "B " and resid 2 and name HA ))
(( segid "B " and resid 7 and name HE2 ))
OR { 4745}
(( segid "A " and resid 2 and name HA ))
(( segid "B " and resid 7 and name HE2 ))
OR { 4745}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 7 and name HE3 ))
OR { 4745}
(( segid "B " and resid 2 and name HA ))
(( segid "B " and resid 7 and name HE3 ))
OR { 4745}
(( segid "A " and resid 2 and name HA ))
(( segid "B " and resid 7 and name HE3 ))
ASSI { 4749}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 6 and name H ))
4.000 2.000 2.000 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.13287E-02 ppm1 1.482 ppm2 7.088 CV 1
OR { 4749}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 6 and name H ))
OR { 4749}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 6 and name H ))
OR { 4749}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 6 and name H ))
OR { 4749}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 6 and name H ))
OR { 4749}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 6 and name H ))
ASSI { 4752}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 7 and name HA ))
3.800 1.800 1.800 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.17349E-02 ppm1 1.483 ppm2 4.271 CV 1
OR { 4752}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 7 and name HA ))
OR { 4752}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HA ))
OR { 4752}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 5 and name HA ))
OR { 4752}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 5 and name HA ))
ASSI { 4755}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 6 and name HB3 ))
3.600 1.600 1.600 peak 4755 spectrum 1 weight 0.10000E+01 volume 0.29024E-02 ppm1 1.483 ppm2 2.194 CV 1
OR { 4755}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 6 and name HB3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 6 and name HB3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 6 and name HB3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 6 and name HB3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 6 and name HB3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HG3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 6 and name HB2 ))
OR { 4755}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 6 and name HB2 ))
OR { 4755}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 6 and name HB2 ))
OR { 4755}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 4 and name HB3 ))
OR { 4755}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 6 and name HB2 ))
OR { 4755}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 4 and name HB3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 4 and name HB3 ))
OR { 4755}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 6 and name HB2 ))
OR { 4755}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 6 and name HB2 ))
ASSI { 4756}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 7 and name HB2 ))
3.500 1.600 1.600 peak 4756 spectrum 1 weight 0.10000E+01 volume 0.25513E-02 ppm1 1.481 ppm2 2.077 CV 1
OR { 4756}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HB2 ))
OR { 4756}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 7 and name HB2 ))
OR { 4756}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 7 and name HB2 ))
OR { 4756}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HB2 ))
OR { 4756}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 7 and name HB2 ))
OR { 4756}
(( segid "A " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HB2 ))
ASSI { 4757}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 7 and name HB3 ))
3.700 1.700 1.700 peak 4757 spectrum 1 weight 0.10000E+01 volume 0.23150E-02 ppm1 1.487 ppm2 1.989 CV 1
OR { 4757}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4757}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 7 and name HB3 ))
OR { 4757}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4757}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HB3 ))
OR { 4757}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 7 and name HB3 ))
OR { 4757}
(( segid "A " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HB3 ))
ASSI { 4758}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 4 and name HB2 ))
3.800 3.800 2.200 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.24754E-02 ppm1 1.485 ppm2 2.551 CV 1
OR { 4758}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HB2 ))
OR { 4758}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 4 and name HB2 ))
OR { 4758}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 4 and name HB2 ))
OR { 4758}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 4 and name HB2 ))
OR { 4758}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HB2 ))
OR { 4758}
(( segid "A " and resid 2 and name HB3 ))
(( segid "B " and resid 4 and name HB2 ))
OR { 4758}
(( segid "A " and resid 2 and name HB2 ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 4759}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 3 and name HB3 ))
4.100 2.100 1.900 peak 4759 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 1.481 ppm2 2.954 CV 1
OR { 4759}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 3 and name HB3 ))
OR { 4759}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 3 and name HB3 ))
OR { 4759}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 3 and name HB3 ))
OR { 4759}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HB3 ))
ASSI { 4760}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 7 and name HE2 ))
2.900 1.000 1.000 peak 4760 spectrum 1 weight 0.10000E+01 volume 0.57072E-02 ppm1 1.483 ppm2 3.070 CV 1
OR { 4760}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HE2 ))
OR { 4760}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 4760}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 7 and name HE2 ))
OR { 4760}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HE2 ))
OR { 4760}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 7 and name HE2 ))
OR { 4760}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 4760}
(( segid "B " and resid 2 and name HB3 ))
(( segid "B " and resid 7 and name HE3 ))
OR { 4760}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 4760}
(( segid "B " and resid 2 and name HB1 ))
(( segid "B " and resid 7 and name HE3 ))
OR { 4760}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HE3 ))
OR { 4760}
(( segid "B " and resid 2 and name HB2 ))
(( segid "B " and resid 7 and name HE3 ))
ASSI { 4763}
(( segid "A " and resid 2 and name HB3 ))
(( segid "A " and resid 4 and name HG2 ))
4.800 2.900 1.200 peak 4763 spectrum 1 weight 0.10000E+01 volume 0.80354E-03 ppm1 1.486 ppm2 2.393 CV 1
OR { 4763}
(( segid "A " and resid 2 and name HB1 ))
(( segid "A " and resid 4 and name HG2 ))
OR { 4763}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 4 and name HG2 ))
OR { 4763}
(( segid "B " and resid 2 and name HB3 ))
(( segid "A " and resid 4 and name HG2 ))
OR { 4763}
(( segid "B " and resid 2 and name HB2 ))
(( segid "A " and resid 4 and name HG2 ))
ASSI { 4771}
(( segid "A " and resid 72 and name HB2 ))
(( segid "A " and resid 72 and name HZ ))
4.600 2.700 1.400 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.73677E-03 ppm1 2.755 ppm2 6.911 CV 1
OR { 4771}
(( segid "A " and resid 72 and name HB2 ))
( segid "A " and resid 75 and name HD% )
ASSI { 4780}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HG2 ))
3.900 1.900 1.900 peak 4780 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 4.332 ppm2 2.384 CV 1
OR { 4780}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 11 and name HB ))
ASSI { 4783}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
3.200 1.300 1.300 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 4.332 ppm2 2.072 CV 1
OR { 4783}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 7 and name HB2 ))
ASSI { 4786}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 8 and name H ))
4.300 2.300 1.700 peak 4786 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 4.332 ppm2 8.252 CV 1
OR { 4786}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 7 and name H ))
ASSI { 4790}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HG2 ))
3.900 1.900 1.900 peak 4790 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 4.354 ppm2 2.363 CV 1
OR { 4790}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 11 and name HB ))
ASSI { 4792}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 7 and name HB2 ))
3.200 1.300 1.300 peak 4792 spectrum 1 weight 0.10000E+01 volume 0.17781E-02 ppm1 4.354 ppm2 2.072 CV 1
OR { 4792}
(( segid "B " and resid 4 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 4797}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HA ))
2.700 0.900 0.900 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.30086E-02 ppm1 2.193 ppm2 4.341 CV 1
OR { 4797}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HA ))
ASSI { 4803}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 3 and name HA ))
4.700 2.700 1.300 peak 4803 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 2.196 ppm2 4.924 CV 1
OR { 4803}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 3 and name HA ))
ASSI { 4804}
(( segid "B " and resid 4 and name HB2 ))
(( segid "B " and resid 4 and name HG2 ))
2.200 0.600 0.600 peak 4804 spectrum 1 weight 0.10000E+01 volume 0.47167E-02 ppm1 2.552 ppm2 2.370 CV 1
OR { 4804}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HG2 ))
ASSI { 4805}
(( segid "B " and resid 4 and name HB2 ))
(( segid "B " and resid 4 and name HB3 ))
1.400 0.200 0.800 peak 4805 spectrum 1 weight 0.10000E+01 volume 0.17703E-01 ppm1 2.547 ppm2 2.184 CV 1
OR { 4805}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HB3 ))
ASSI { 4807}
(( segid "A " and resid 4 and name HB2 ))
(( segid "A " and resid 4 and name HA ))
2.600 0.800 0.800 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.64789E-02 ppm1 2.550 ppm2 4.343 CV 1
OR { 4807}
(( segid "B " and resid 4 and name HB2 ))
(( segid "B " and resid 4 and name HA ))
ASSI { 4809}
(( segid "B " and resid 4 and name HB2 ))
(( segid "A " and resid 11 and name HG23))
3.500 1.500 1.500 peak 4809 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 2.546 ppm2 0.944 CV 1
OR { 4809}
(( segid "A " and resid 4 and name HB2 ))
(( segid "B " and resid 11 and name HG23))
OR { 4809}
(( segid "B " and resid 4 and name HB2 ))
(( segid "A " and resid 11 and name HG21))
OR { 4809}
(( segid "A " and resid 4 and name HB2 ))
(( segid "B " and resid 11 and name HG21))
OR { 4809}
(( segid "B " and resid 4 and name HB2 ))
(( segid "A " and resid 11 and name HG22))
ASSI { 4812}
(( segid "A " and resid 4 and name HB3 ))
(( segid "A " and resid 3 and name HA ))
5.400 3.700 0.600 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.57311E-03 ppm1 2.188 ppm2 4.923 CV 1
OR { 4812}
(( segid "B " and resid 4 and name HB3 ))
(( segid "B " and resid 3 and name HA ))
ASSI { 4813}
(( segid "A " and resid 4 and name HB3 ))
(( segid "B " and resid 11 and name HG23))
3.300 1.400 1.400 peak 4813 spectrum 1 weight 0.10000E+01 volume 0.31929E-02 ppm1 2.186 ppm2 0.944 CV 1
OR { 4813}
(( segid "A " and resid 4 and name HB3 ))
(( segid "B " and resid 11 and name HG21))
OR { 4813}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG23))
OR { 4813}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG21))
OR { 4813}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG22))
ASSI { 4814}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG13))
2.500 2.500 3.500 peak 4814 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 2.187 ppm2 1.259 CV 1
OR { 4814}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG11))
OR { 4814}
(( segid "A " and resid 4 and name HB3 ))
(( segid "B " and resid 11 and name HG13))
OR { 4814}
(( segid "A " and resid 4 and name HB3 ))
(( segid "B " and resid 11 and name HG11))
OR { 4814}
(( segid "B " and resid 4 and name HB3 ))
(( segid "A " and resid 11 and name HG12))
ASSI { 4815}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HG3 ))
1.700 0.400 0.500 peak 4815 spectrum 1 weight 0.10000E+01 volume 0.11926E-01 ppm1 2.370 ppm2 2.192 CV 1
OR { 4815}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HG3 ))
OR { 4815}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HB3 ))
ASSI { 4818}
(( segid "A " and resid 4 and name HG2 ))
(( segid "B " and resid 11 and name HG23))
4.900 2.900 1.100 peak 4818 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 2.379 ppm2 0.948 CV 1
OR { 4818}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG23))
OR { 4818}
(( segid "A " and resid 4 and name HG2 ))
(( segid "B " and resid 11 and name HG21))
OR { 4818}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG21))
OR { 4818}
(( segid "B " and resid 4 and name HG2 ))
(( segid "A " and resid 11 and name HG22))
ASSI { 4820}
(( segid "A " and resid 4 and name HG3 ))
(( segid "B " and resid 11 and name HG21))
4.500 2.500 1.500 peak 4820 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 2.189 ppm2 0.944 CV 1
OR { 4820}
(( segid "A " and resid 4 and name HG3 ))
(( segid "B " and resid 11 and name HG23))
OR { 4820}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG21))
OR { 4820}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG23))
OR { 4820}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG22))
ASSI { 4821}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG13))
4.100 2.100 1.900 peak 4821 spectrum 1 weight 0.10000E+01 volume 0.97953E-03 ppm1 2.189 ppm2 1.258 CV 1
OR { 4821}
(( segid "A " and resid 4 and name HG3 ))
(( segid "B " and resid 11 and name HG13))
OR { 4821}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG11))
OR { 4821}
(( segid "A " and resid 4 and name HG3 ))
(( segid "B " and resid 11 and name HG11))
OR { 4821}
(( segid "B " and resid 4 and name HG3 ))
(( segid "A " and resid 11 and name HG12))
ASSI { 4822}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HB2 ))
2.600 0.900 0.900 peak 4822 spectrum 1 weight 0.10000E+01 volume 0.62861E-02 ppm1 2.193 ppm2 2.546 CV 1
OR { 4822}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 4823}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HG2 ))
1.700 0.400 0.500 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.10090E-01 ppm1 2.193 ppm2 2.368 CV 1
OR { 4823}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HG2 ))
ASSI { 4835}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HD2 ))
3.700 1.700 1.700 peak 4835 spectrum 1 weight 0.10000E+01 volume 0.65005E-03 ppm1 4.108 ppm2 7.002 CV 1
OR { 4835}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name H ))
OR { 4835}
(( segid "A " and resid 14 and name HA ))
( segid "B " and resid 90 and name HD% )
ASSI { 4}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 100 and name HA ))
2.000 0.500 0.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.21114E-01 ppm1 7.963 ppm2 4.372 CV 1
OR { 4}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 100 and name HA ))
ASSI { 5}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 101 and name HA ))
2.200 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.14400E-01 ppm1 7.962 ppm2 4.202 CV 1
OR { 5}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 101 and name HA ))
ASSI { 8}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 100 and name HB2 ))
3.500 1.600 1.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 7.963 ppm2 1.902 CV 1
OR { 8}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 100 and name HB2 ))
ASSI { 9}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 101 and name HB3 ))
3.300 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.22133E-02 ppm1 7.963 ppm2 1.771 CV 1
OR { 9}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 101 and name HB3 ))
ASSI { 10}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 101 and name HG2 ))
3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.31538E-02 ppm1 7.965 ppm2 1.371 CV 1
OR { 10}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 101 and name HG3 ))
OR { 10}
(( segid "A " and resid 101 and name H ))
(( segid "A " and resid 101 and name HG3 ))
OR { 10}
(( segid "B " and resid 101 and name H ))
(( segid "B " and resid 101 and name HG2 ))
ASSI { 13}
(( segid "B " and resid 100 and name H ))
(( segid "B " and resid 101 and name H ))
3.900 1.900 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 8.333 ppm2 7.969 CV 1
OR { 13}
(( segid "A " and resid 100 and name H ))
(( segid "A " and resid 101 and name H ))
ASSI { 15}
(( segid "B " and resid 100 and name H ))
(( segid "B " and resid 100 and name HA ))
2.000 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.22941E-01 ppm1 8.341 ppm2 4.374 CV 1
OR { 15}
(( segid "A " and resid 100 and name H ))
(( segid "A " and resid 100 and name HA ))
ASSI { 16}
(( segid "A " and resid 100 and name H ))
(( segid "A " and resid 100 and name HB2 ))
2.900 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.27531E-02 ppm1 8.341 ppm2 1.903 CV 1
OR { 16}
(( segid "B " and resid 100 and name H ))
(( segid "B " and resid 100 and name HB2 ))
ASSI { 17}
(( segid "A " and resid 100 and name H ))
(( segid "A " and resid 100 and name HB3 ))
3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.37110E-02 ppm1 8.340 ppm2 1.809 CV 1
OR { 17}
(( segid "B " and resid 100 and name H ))
(( segid "B " and resid 100 and name HB3 ))
ASSI { 20}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 25 and name H ))
4.700 2.700 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.48332E-03 ppm1 8.992 ppm2 8.607 CV 1
OR { 20}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 25 and name H ))
ASSI { 22}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 23 and name HA ))
2.800 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.46050E-02 ppm1 8.992 ppm2 4.652 CV 1
OR { 22}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HA ))
ASSI { 23}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 24 and name HA2 ))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 8.991 ppm2 3.938 CV 1
OR { 23}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 24 and name HA2 ))
ASSI { 24}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 24 and name HA3 ))
3.000 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.23739E-02 ppm1 8.992 ppm2 3.779 CV 1
OR { 24}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 24 and name HA3 ))
ASSI { 25}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HG2 ))
4.200 2.200 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.81364E-03 ppm1 8.995 ppm2 2.249 CV 1
OR { 25}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 23 and name HG2 ))
ASSI { 26}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HG3 ))
4.700 2.800 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.63762E-03 ppm1 8.989 ppm2 2.130 CV 1
OR { 26}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 23 and name HG3 ))
ASSI { 27}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HB2 ))
3.600 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 8.990 ppm2 1.993 CV 1
OR { 27}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 28}
(( segid "B " and resid 24 and name H ))
(( segid "B " and resid 23 and name HB3 ))
3.700 1.700 1.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.78807E-03 ppm1 8.995 ppm2 1.828 CV 1
OR { 28}
(( segid "A " and resid 24 and name H ))
(( segid "A " and resid 23 and name HB3 ))
ASSI { 32}
(( segid "B " and resid 26 and name H ))
( segid "B " and resid 27 and name HD% )
3.700 1.700 1.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 9.350 ppm2 7.497 CV 1
OR { 32}
(( segid "A " and resid 26 and name H ))
( segid "A " and resid 27 and name HD% )
ASSI { 33}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 28 and name H ))
4.400 2.400 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.92264E-03 ppm1 9.352 ppm2 7.199 CV 1
OR { 33}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 28 and name H ))
ASSI { 37}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 21 and name HA2 ))
4.000 2.000 2.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.55012E-03 ppm1 9.350 ppm2 4.142 CV 1
OR { 37}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 21 and name HA2 ))
ASSI { 40}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HE2 ))
4.500 2.600 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.49782E-03 ppm1 9.352 ppm2 2.998 CV 1
OR { 40}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HE2 ))
OR { 40}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HE3 ))
OR { 40}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HE3 ))
ASSI { 41}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 25 and name HB2 ))
4.600 2.600 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.59616E-03 ppm1 9.353 ppm2 2.894 CV 1
OR { 41}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 25 and name HB2 ))
ASSI { 42}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 25 and name HB3 ))
3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.87454E-03 ppm1 9.354 ppm2 2.706 CV 1
OR { 42}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 25 and name HB3 ))
ASSI { 44}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HB2 ))
3.000 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.28483E-02 ppm1 9.351 ppm2 1.605 CV 1
OR { 44}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 45}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HB3 ))
2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.27296E-02 ppm1 9.351 ppm2 1.428 CV 1
OR { 45}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HB3 ))
ASSI { 46}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HG2 ))
2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.33252E-02 ppm1 9.351 ppm2 1.295 CV 1
OR { 46}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HG2 ))
ASSI { 52}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 27 and name H ))
2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.22659E-02 ppm1 9.350 ppm2 9.572 CV 1
OR { 52}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 27 and name H ))
ASSI { 54}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name H ))
4.100 2.100 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.70006E-03 ppm1 9.659 ppm2 7.200 CV 1
OR { 54}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 28 and name H ))
ASSI { 55}
(( segid "A " and resid 29 and name H ))
( segid "A " and resid 75 and name HD% )
3.500 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.96051E-03 ppm1 9.659 ppm2 6.910 CV 1
OR { 55}
(( segid "B " and resid 29 and name H ))
( segid "B " and resid 75 and name HD% )
ASSI { 56}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HA ))
3.000 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10035E-02 ppm1 9.658 ppm2 5.277 CV 1
OR { 56}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HA ))
ASSI { 57}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HA ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.31871E-02 ppm1 9.659 ppm2 5.156 CV 1
OR { 57}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 28 and name HA ))
ASSI { 58}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 70 and name HB ))
3.100 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 9.659 ppm2 2.243 CV 1
OR { 58}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 70 and name HB ))
OR { 58}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 59}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HB2 ))
2.500 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.19415E-02 ppm1 9.658 ppm2 2.151 CV 1
OR { 59}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 61}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 28 and name HG2 ))
4.400 2.400 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.72563E-03 ppm1 9.655 ppm2 1.516 CV 1
OR { 61}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HG2 ))
OR { 61}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 28 and name HD3 ))
OR { 61}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 28 and name HD3 ))
ASSI { 62}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HG ))
3.200 1.300 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.19973E-02 ppm1 9.655 ppm2 1.198 CV 1
OR { 62}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HG ))
ASSI { 65}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HD13))
3.200 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 9.654 ppm2 0.764 CV 1
OR { 65}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD13))
OR { 65}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HD11))
OR { 65}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD11))
OR { 65}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD12))
ASSI { 66}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HD22))
4.400 2.400 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.11770E-02 ppm1 9.654 ppm2 0.280 CV 1
OR { 66}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD22))
OR { 66}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HD23))
OR { 66}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD23))
OR { 66}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HD21))
ASSI { 67}
(( segid "B " and resid 37 and name H ))
( segid "B " and resid 19 and name HD% )
3.900 1.900 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.78807E-03 ppm1 7.941 ppm2 7.398 CV 1
OR { 67}
(( segid "A " and resid 37 and name H ))
( segid "A " and resid 19 and name HD% )
ASSI { 68}
(( segid "B " and resid 37 and name H ))
( segid "B " and resid 19 and name HE% )
3.900 1.900 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.92829E-03 ppm1 7.937 ppm2 6.842 CV 1
OR { 68}
(( segid "A " and resid 37 and name H ))
( segid "A " and resid 19 and name HE% )
ASSI { 70}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 33 and name HA ))
3.900 1.900 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.56649E-03 ppm1 7.936 ppm2 4.059 CV 1
OR { 70}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 33 and name HA ))
ASSI { 72}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 36 and name HA ))
3.400 1.400 1.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 7.942 ppm2 3.873 CV 1
OR { 72}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 38 and name HA ))
ASSI { 74}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 36 and name HB3 ))
2.700 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32693E-02 ppm1 7.941 ppm2 2.204 CV 1
OR { 74}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 36 and name HB3 ))
OR { 74}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 36 and name HB2 ))
OR { 74}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 36 and name HB2 ))
ASSI { 78}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 37 and name HD12))
3.900 1.900 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 7.941 ppm2 0.904 CV 1
OR { 78}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HD12))
OR { 78}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 37 and name HD13))
OR { 78}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HD13))
OR { 78}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HD11))
ASSI { 80}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 34 and name HD21))
4.600 2.600 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.62022E-03 ppm1 7.951 ppm2 0.767 CV 1
OR { 80}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 35 and name HG2 ))
OR { 80}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 42 and name HD12))
OR { 80}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 35 and name HG3 ))
OR { 80}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 34 and name HD23))
OR { 80}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 34 and name HD22))
OR { 80}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 42 and name HD11))
OR { 80}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 42 and name HD13))
ASSI { 84}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 36 and name H ))
2.600 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.28647E-02 ppm1 7.939 ppm2 7.852 CV 1
OR { 84}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 36 and name H ))
ASSI { 87}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 98 and name HA ))
1.900 0.400 0.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.33942E-01 ppm1 8.375 ppm2 4.475 CV 1
OR { 87}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 98 and name HA ))
ASSI { 88}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HA ))
2.300 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10327E-01 ppm1 8.376 ppm2 4.374 CV 1
OR { 88}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HA ))
ASSI { 90}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HD3 ))
4.400 2.400 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.69544E-03 ppm1 8.376 ppm2 3.255 CV 1
OR { 90}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HD2 ))
OR { 90}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HD2 ))
OR { 90}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HD3 ))
ASSI { 92}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 98 and name HB2 ))
3.200 1.300 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.21314E-02 ppm1 8.376 ppm2 2.334 CV 1
OR { 92}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 98 and name HB2 ))
ASSI { 93}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 98 and name HG2 ))
3.800 1.800 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 8.374 ppm2 2.073 CV 1
OR { 93}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 98 and name HG3 ))
OR { 93}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 98 and name HG2 ))
ASSI { 94}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HB2 ))
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.41717E-02 ppm1 8.375 ppm2 1.904 CV 1
OR { 94}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HB2 ))
ASSI { 95}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HB3 ))
2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.73025E-02 ppm1 8.375 ppm2 1.819 CV 1
OR { 95}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HB3 ))
ASSI { 96}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HG3 ))
3.200 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 8.376 ppm2 1.709 CV 1
OR { 96}
(( segid "B " and resid 99 and name H ))
(( segid "B " and resid 99 and name HG2 ))
OR { 96}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HG3 ))
OR { 96}
(( segid "A " and resid 99 and name H ))
(( segid "A " and resid 99 and name HG2 ))
ASSI { 98}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 24 and name H ))
3.500 1.500 1.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.75379E-03 ppm1 9.612 ppm2 8.985 CV 1
OR { 98}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 24 and name H ))
ASSI { 101}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 30 and name HD21))
4.300 2.300 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.68521E-03 ppm1 9.609 ppm2 7.598 CV 1
OR { 101}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 30 and name HD21))
ASSI { 103}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name H ))
2.100 0.600 0.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.10501E-01 ppm1 9.611 ppm2 7.239 CV 1
OR { 103}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 22 and name H ))
ASSI { 105}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 26 and name HA ))
4.400 2.400 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.69748E-03 ppm1 9.612 ppm2 4.416 CV 1
OR { 105}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 26 and name HA ))
ASSI { 106}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 21 and name HA2 ))
4.200 2.200 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.67343E-03 ppm1 9.608 ppm2 4.140 CV 1
OR { 106}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 21 and name HA2 ))
ASSI { 107}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 33 and name HA ))
4.300 2.300 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 9.606 ppm2 4.088 CV 1
OR { 107}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 33 and name HA ))
ASSI { 108}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HA ))
2.800 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.63200E-02 ppm1 9.609 ppm2 3.997 CV 1
OR { 108}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 22 and name HA ))
ASSI { 109}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 21 and name HA3 ))
5.000 3.200 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.62484E-03 ppm1 9.613 ppm2 3.879 CV 1
OR { 109}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 21 and name HA3 ))
ASSI { 110}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 33 and name HG2 ))
3.500 1.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 9.609 ppm2 2.520 CV 1
OR { 110}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 33 and name HG2 ))
ASSI { 111}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 33 and name HG3 ))
3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13592E-02 ppm1 9.612 ppm2 2.419 CV 1
OR { 111}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 33 and name HG3 ))
ASSI { 112}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HG3 ))
3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.63300E-02 ppm1 9.610 ppm2 2.165 CV 1
OR { 112}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 23 and name HG3 ))
ASSI { 113}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 22 and name HB3 ))
2.300 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.64734E-02 ppm1 9.610 ppm2 2.027 CV 1
OR { 113}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 114}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HB3 ))
3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.47587E-02 ppm1 9.610 ppm2 1.819 CV 1
OR { 114}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 23 and name HB3 ))
ASSI { 115}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 22 and name HG2 ))
3.900 1.900 1.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 9.613 ppm2 1.727 CV 1
OR { 115}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 22 and name HG2 ))
ASSI { 118}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HG2 ))
2.900 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.43538E-02 ppm1 9.611 ppm2 2.243 CV 1
OR { 118}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 23 and name HG2 ))
ASSI { 121}
(( segid "B " and resid 25 and name H ))
(( segid "B " and resid 24 and name HA2 ))
4.100 2.100 1.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 8.600 ppm2 3.935 CV 1
OR { 121}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 24 and name HA2 ))
ASSI { 123}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HB2 ))
3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 8.596 ppm2 2.889 CV 1
OR { 123}
(( segid "B " and resid 25 and name H ))
(( segid "B " and resid 25 and name HB2 ))
ASSI { 124}
(( segid "A " and resid 25 and name H ))
(( segid "A " and resid 25 and name HB3 ))
3.800 1.800 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.14247E-02 ppm1 8.601 ppm2 2.708 CV 1
OR { 124}
(( segid "B " and resid 25 and name H ))
(( segid "B " and resid 25 and name HB3 ))
ASSI { 129}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 30 and name HD21))
4.100 2.100 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.66219E-03 ppm1 8.681 ppm2 7.607 CV 1
OR { 129}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 30 and name HD21))
ASSI { 131}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 29 and name HA ))
4.900 3.000 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.70261E-03 ppm1 8.693 ppm2 5.273 CV 1
OR { 131}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 29 and name HA ))
ASSI { 132}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 30 and name HA ))
4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.55778E-03 ppm1 8.691 ppm2 4.787 CV 1
OR { 132}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 30 and name HA ))
ASSI { 133}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 32 and name HA ))
3.100 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.20213E-02 ppm1 8.691 ppm2 4.145 CV 1
OR { 133}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 32 and name HA ))
ASSI { 134}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 33 and name HA ))
2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.35893E-02 ppm1 8.690 ppm2 4.069 CV 1
OR { 134}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 33 and name HA ))
ASSI { 136}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 33 and name HG2 ))
2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.28416E-02 ppm1 8.689 ppm2 2.518 CV 1
OR { 136}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 137}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 33 and name HG3 ))
3.600 1.600 1.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.23893E-02 ppm1 8.688 ppm2 2.422 CV 1
OR { 137}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 33 and name HG3 ))
ASSI { 138}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 33 and name HB2 ))
2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 8.690 ppm2 2.227 CV 1
OR { 138}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 141}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 35 and name HB3 ))
4.500 2.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.74048E-03 ppm1 8.691 ppm2 1.378 CV 1
OR { 141}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 142}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 29 and name HD23))
4.600 2.700 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10316E-02 ppm1 8.693 ppm2 0.282 CV 1
OR { 142}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 29 and name HD23))
OR { 142}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 29 and name HD21))
OR { 142}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 29 and name HD21))
OR { 142}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 29 and name HD22))
ASSI { 143}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 30 and name H ))
3.500 1.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 8.687 ppm2 9.609 CV 1
OR { 143}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 30 and name H ))
ASSI { 144}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 34 and name H ))
2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.27275E-02 ppm1 8.690 ppm2 8.922 CV 1
OR { 144}
(( segid "B " and resid 33 and name H ))
(( segid "B " and resid 34 and name H ))
ASSI { 145}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 29 and name HB2 ))
4.800 2.900 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 8.692 ppm2 2.168 CV 1
OR { 145}
(( segid "A " and resid 33 and name H ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 169}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 4 and name HG3 ))
4.800 2.900 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.94773E-03 ppm1 8.684 ppm2 2.195 CV 1
OR { 169}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 6 and name HB3 ))
OR { 169}
(( segid "A " and resid 3 and name H ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 177}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 5 and name HA ))
3.300 1.400 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10526E-02 ppm1 7.101 ppm2 4.279 CV 1
OR { 177}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 7 and name HA ))
ASSI { 180}
(( segid "A " and resid 6 and name H ))
(( segid "B " and resid 41 and name HB3 ))
2.600 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.15224E-02 ppm1 7.096 ppm2 2.190 CV 1
OR { 180}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HB2 ))
OR { 180}
(( segid "A " and resid 6 and name H ))
(( segid "A " and resid 6 and name HB3 ))
ASSI { 184}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 4 and name HA ))
3.600 1.600 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 8.057 ppm2 4.351 CV 1
OR { 184}
(( segid "A " and resid 7 and name H ))
(( segid "B " and resid 4 and name HA ))
ASSI { 186}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 6 and name HA ))
3.600 1.600 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.88939E-03 ppm1 8.054 ppm2 4.062 CV 1
OR { 186}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 4 and name HD2 ))
ASSI { 187}
(( segid "A " and resid 7 and name H ))
(( segid "A " and resid 4 and name HB2 ))
4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.81519E-03 ppm1 8.057 ppm2 2.546 CV 1
OR { 187}
(( segid "A " and resid 7 and name H ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 198}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 4 and name HA ))
3.900 1.900 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.92878E-03 ppm1 8.303 ppm2 4.349 CV 1
OR { 198}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 4 and name HA ))
ASSI { 199}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 7 and name HA ))
2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.33423E-02 ppm1 8.304 ppm2 4.278 CV 1
OR { 199}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 5 and name HA ))
ASSI { 201}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HB ))
4.400 2.400 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.73638E-03 ppm1 8.300 ppm2 2.365 CV 1
OR { 201}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 12 and name HG3 ))
OR { 201}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HB ))
ASSI { 202}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 9 and name HB2 ))
4.400 2.400 1.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.67191E-03 ppm1 8.299 ppm2 2.186 CV 1
OR { 202}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 41 and name HB3 ))
OR { 202}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 4 and name HB3 ))
OR { 202}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 4 and name HB3 ))
OR { 202}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 4 and name HG3 ))
ASSI { 207}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HG12))
4.300 2.400 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.57673E-03 ppm1 8.300 ppm2 1.256 CV 1
OR { 207}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HG13))
OR { 207}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HG11))
OR { 207}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HG13))
OR { 207}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HG12))
ASSI { 209}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HG21))
3.800 1.800 1.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.89962E-03 ppm1 8.301 ppm2 0.935 CV 1
OR { 209}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HG23))
OR { 209}
(( segid "A " and resid 8 and name H ))
(( segid "B " and resid 11 and name HG22))
OR { 209}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HG21))
OR { 209}
(( segid "A " and resid 8 and name H ))
(( segid "A " and resid 11 and name HG22))
ASSI { 225}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HA ))
3.100 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 7.799 ppm2 4.144 CV 1
OR { 225}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 8 and name HA ))
ASSI { 227}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 12 and name HB2 ))
3.800 1.800 1.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12067E-02 ppm1 7.801 ppm2 2.385 CV 1
OR { 227}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 12 and name HG3 ))
OR { 227}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 11 and name HB ))
OR { 227}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 12 and name HB3 ))
ASSI { 229}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 9 and name HG ))
2.700 2.700 3.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.92623E-03 ppm1 7.799 ppm2 1.914 CV 1
OR { 229}
(( segid "B " and resid 10 and name H ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 241}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 8 and name HA ))
3.200 1.300 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.20316E-02 ppm1 8.535 ppm2 4.150 CV 1
OR { 241}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 9 and name HA ))
OR { 241}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 14 and name HA ))
ASSI { 245}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 8 and name HB1 ))
4.000 2.000 2.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12113E-02 ppm1 8.532 ppm2 1.687 CV 1
OR { 245}
(( segid "B " and resid 11 and name H ))
(( segid "B " and resid 8 and name HB2 ))
OR { 245}
(( segid "B " and resid 11 and name H ))
(( segid "A " and resid 8 and name HB2 ))
OR { 245}
(( segid "B " and resid 11 and name H ))
(( segid "A " and resid 8 and name HB3 ))
OR { 245}
(( segid "B " and resid 11 and name H ))
(( segid "A " and resid 8 and name HB1 ))
ASSI { 252}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 9 and name HA ))
2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.22532E-02 ppm1 8.667 ppm2 4.143 CV 1
OR { 252}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 8 and name HA ))
ASSI { 258}
(( segid "B " and resid 12 and name H ))
(( segid "A " and resid 8 and name HB2 ))
3.900 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.97792E-03 ppm1 8.669 ppm2 1.687 CV 1
OR { 258}
(( segid "B " and resid 12 and name H ))
(( segid "A " and resid 8 and name HB3 ))
OR { 258}
(( segid "B " and resid 12 and name H ))
(( segid "A " and resid 8 and name HB1 ))
OR { 258}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 8 and name HB1 ))
OR { 258}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 8 and name HB2 ))
ASSI { 259}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 11 and name HG12))
3.600 1.600 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.23089E-02 ppm1 8.668 ppm2 1.259 CV 1
OR { 259}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 11 and name HG11))
OR { 259}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 11 and name HG13))
OR { 259}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 13 and name HG11))
OR { 259}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 13 and name HG12))
ASSI { 262}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 9 and name HD12))
4.500 2.600 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.59003E-03 ppm1 8.665 ppm2 0.811 CV 1
OR { 262}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 9 and name HD13))
OR { 262}
(( segid "B " and resid 12 and name H ))
(( segid "B " and resid 9 and name HD11))
OR { 262}
(( segid "B " and resid 12 and name H ))
(( segid "A " and resid 9 and name HD13))
OR { 262}
(( segid "B " and resid 12 and name H ))
(( segid "A " and resid 9 and name HD11))
ASSI { 265}
(( segid "B " and resid 13 and name H ))
(( segid "B " and resid 72 and name HZ ))
4.800 2.800 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.62125E-03 ppm1 8.292 ppm2 6.920 CV 1
OR { 265}
(( segid "B " and resid 13 and name H ))
( segid "A " and resid 90 and name HD% )
ASSI { 286}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 13 and name HG11))
3.800 1.800 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 9.096 ppm2 1.266 CV 1
OR { 286}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 13 and name HG12))
OR { 286}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 13 and name HG13))
OR { 286}
(( segid "B " and resid 14 and name H ))
(( segid "B " and resid 11 and name HG11))
ASSI { 295}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 11 and name HB ))
3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.65554E-03 ppm1 8.725 ppm2 2.392 CV 1
OR { 295}
(( segid "B " and resid 15 and name H ))
(( segid "B " and resid 13 and name HB ))
ASSI { 340}
(( segid "B " and resid 68 and name HD22))
(( segid "B " and resid 68 and name HA ))
4.300 2.300 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.80599E-03 ppm1 6.846 ppm2 4.148 CV 1
OR { 340}
(( segid "A " and resid 68 and name HD22))
(( segid "A " and resid 68 and name HA ))
ASSI { 342}
(( segid "A " and resid 68 and name HD22))
(( segid "A " and resid 68 and name HB2 ))
3.600 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.43092E-02 ppm1 6.842 ppm2 3.199 CV 1
OR { 342}
(( segid "B " and resid 68 and name HD22))
(( segid "B " and resid 68 and name HB2 ))
ASSI { 343}
(( segid "B " and resid 68 and name HD22))
(( segid "B " and resid 68 and name HB3 ))
3.700 1.700 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 6.841 ppm2 3.125 CV 1
OR { 343}
(( segid "A " and resid 68 and name HD22))
(( segid "A " and resid 68 and name HB3 ))
ASSI { 348}
(( segid "A " and resid 68 and name HD22))
(( segid "A " and resid 68 and name HD21))
1.400 0.200 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.55726E-01 ppm1 6.841 ppm2 7.509 CV 1
OR { 348}
(( segid "B " and resid 68 and name HD22))
(( segid "B " and resid 68 and name HD21))
ASSI { 397}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 25 and name HA ))
3.700 1.700 1.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 9.575 ppm2 4.487 CV 1
OR { 397}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 25 and name HA ))
ASSI { 398}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 26 and name HA ))
3.000 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 9.574 ppm2 4.413 CV 1
OR { 398}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HA ))
ASSI { 399}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HB2 ))
2.900 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.30105E-02 ppm1 9.575 ppm2 3.776 CV 1
OR { 399}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 27 and name HB2 ))
ASSI { 400}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 27 and name HB3 ))
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.35780E-02 ppm1 9.571 ppm2 3.168 CV 1
OR { 400}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 403}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 28 and name HB3 ))
4.400 2.400 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.59872E-03 ppm1 9.567 ppm2 1.712 CV 1
OR { 403}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 28 and name HB2 ))
OR { 403}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 28 and name HD2 ))
ASSI { 404}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 26 and name HB2 ))
3.700 1.700 1.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.99122E-03 ppm1 9.567 ppm2 1.596 CV 1
OR { 404}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 405}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 28 and name HG2 ))
4.000 2.000 2.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.66677E-03 ppm1 9.569 ppm2 1.514 CV 1
OR { 405}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 28 and name HG2 ))
OR { 405}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 28 and name HD3 ))
ASSI { 406}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 26 and name HB3 ))
3.800 1.800 1.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 9.575 ppm2 1.434 CV 1
OR { 406}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HB3 ))
ASSI { 407}
(( segid "A " and resid 27 and name H ))
(( segid "A " and resid 26 and name HG2 ))
3.900 1.900 1.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 9.571 ppm2 1.308 CV 1
OR { 407}
(( segid "B " and resid 27 and name H ))
(( segid "B " and resid 26 and name HG2 ))
ASSI { 411}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 17 and name HA ))
2.800 2.800 3.200 peak 411 spectrum 1 weight 0.10000E+01 volume 0.22020E-02 ppm1 7.195 ppm2 4.826 CV 1
OR { 411}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 69 and name HA ))
ASSI { 433}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 29 and name HB2 ))
4.200 2.200 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.71436E-03 ppm1 9.631 ppm2 2.158 CV 1
OR { 433}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 69 and name HG2 ))
OR { 433}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 434}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 59 and name HE1 ))
3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 9.624 ppm2 1.895 CV 1
OR { 434}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 59 and name HE2 ))
OR { 434}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 59 and name HE3 ))
OR { 434}
(( segid "A " and resid 30 and name H ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 446}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 69 and name HG2 ))
4.600 2.700 1.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.55574E-03 ppm1 8.396 ppm2 2.158 CV 1
OR { 446}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 59 and name HB2 ))
OR { 446}
(( segid "A " and resid 31 and name H ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 456}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 33 and name HG2 ))
4.200 2.200 1.800 peak 456 spectrum 1 weight 0.10000E+01 volume 0.79421E-03 ppm1 7.661 ppm2 2.512 CV 1
OR { 456}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 59 and name HG2 ))
ASSI { 459}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 35 and name HB2 ))
4.100 2.100 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.86944E-03 ppm1 7.661 ppm2 1.785 CV 1
OR { 459}
(( segid "A " and resid 32 and name H ))
(( segid "A " and resid 31 and name HD3 ))
ASSI { 472}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 59 and name HE1 ))
3.500 1.500 1.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15951E-02 ppm1 8.923 ppm2 1.896 CV 1
OR { 472}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 59 and name HE2 ))
OR { 472}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 59 and name HE3 ))
OR { 472}
(( segid "A " and resid 34 and name H ))
(( segid "A " and resid 38 and name HB2 ))
ASSI { 486}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 36 and name HB2 ))
4.700 2.700 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.55113E-03 ppm1 7.968 ppm2 2.213 CV 1
OR { 486}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 33 and name HB2 ))
OR { 486}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 36 and name HB3 ))
ASSI { 488}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 38 and name HB2 ))
4.000 2.000 2.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.82030E-03 ppm1 7.972 ppm2 1.894 CV 1
OR { 488}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 59 and name HE1 ))
OR { 488}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 38 and name HG ))
OR { 488}
(( segid "A " and resid 35 and name H ))
(( segid "A " and resid 59 and name HE3 ))
ASSI { 508}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 37 and name H ))
2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.47228E-02 ppm1 7.847 ppm2 7.953 CV 1
OR { 508}
(( segid "A " and resid 36 and name H ))
(( segid "A " and resid 35 and name H ))
ASSI { 509}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 39 and name H ))
2.500 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.28739E-02 ppm1 8.556 ppm2 7.943 CV 1
OR { 509}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name H ))
ASSI { 511}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 36 and name HA ))
4.300 2.300 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.63455E-03 ppm1 8.565 ppm2 3.890 CV 1
OR { 511}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 39 and name HA ))
ASSI { 513}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 78 and name HB2 ))
3.500 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 8.569 ppm2 3.424 CV 1
OR { 513}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 77 and name HA ))
OR { 513}
(( segid "B " and resid 79 and name H ))
(( segid "A " and resid 80 and name HB3 ))
ASSI { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 42 and name HD12))
3.400 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.16053E-02 ppm1 8.555 ppm2 0.876 CV 1
OR { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HD21))
OR { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HD23))
OR { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 37 and name HD22))
OR { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 42 and name HD11))
OR { 519}
(( segid "A " and resid 38 and name H ))
(( segid "A " and resid 42 and name HD13))
ASSI { 529}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD12))
4.600 2.600 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.64479E-03 ppm1 7.941 ppm2 0.989 CV 1
OR { 529}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD11))
OR { 529}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 46 and name HD21))
OR { 529}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 46 and name HD23))
OR { 529}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD13))
ASSI { 530}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD23))
4.700 2.800 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.69341E-03 ppm1 7.937 ppm2 0.922 CV 1
OR { 530}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD22))
OR { 530}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name HD21))
OR { 530}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 37 and name HD12))
ASSI { 531}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 38 and name H ))
2.900 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 7.941 ppm2 8.562 CV 1
OR { 531}
(( segid "A " and resid 39 and name H ))
(( segid "A " and resid 41 and name H ))
ASSI { 537}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 39 and name HA ))
3.400 1.400 1.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 8.111 ppm2 3.900 CV 1
OR { 537}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 36 and name HA ))
ASSI { 545}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 41 and name H ))
2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 8.111 ppm2 8.577 CV 1
OR { 545}
(( segid "A " and resid 40 and name H ))
(( segid "A " and resid 38 and name H ))
ASSI { 548}
(( segid "A " and resid 41 and name H ))
( segid "A " and resid 19 and name HE% )
3.500 1.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.59106E-03 ppm1 8.575 ppm2 6.843 CV 1
OR { 548}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 78 and name HZ ))
ASSI { 555}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 42 and name HG ))
4.300 2.400 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 8.577 ppm2 1.536 CV 1
OR { 555}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 15 and name HG21))
OR { 555}
(( segid "A " and resid 41 and name H ))
(( segid "A " and resid 15 and name HG23))
ASSI { 568}
(( segid "A " and resid 42 and name H ))
(( segid "A " and resid 46 and name HD12))
4.600 2.600 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.66884E-03 ppm1 7.703 ppm2 1.060 CV 1
OR { 568}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 5 and name HD12))
OR { 568}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 5 and name HD11))
OR { 568}
(( segid "A " and resid 42 and name H ))
(( segid "B " and resid 5 and name HD13))
ASSI { 593}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 42 and name HB3 ))
3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 7.947 ppm2 1.938 CV 1
OR { 593}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HG ))
ASSI { 596}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD23))
4.600 2.700 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.90321E-03 ppm1 7.951 ppm2 0.969 CV 1
OR { 596}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD22))
OR { 596}
(( segid "A " and resid 45 and name H ))
(( segid "A " and resid 46 and name HD21))
OR { 596}
(( segid "A " and resid 45 and name H ))
( segid "C " and resid 1900 and name HD1%)
ASSI { 602}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 44 and name HA ))
4.100 2.100 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.90476E-03 ppm1 7.282 ppm2 4.232 CV 1
OR { 602}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 47 and name HA2 ))
ASSI { 609}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 47 and name H ))
3.000 1.200 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.14037E-02 ppm1 7.282 ppm2 8.586 CV 1
OR { 609}
(( segid "A " and resid 46 and name H ))
(( segid "A " and resid 48 and name H ))
ASSI { 614}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HA ))
2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.69134E-02 ppm1 8.587 ppm2 4.473 CV 1
OR { 614}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 45 and name HA ))
ASSI { 617}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 46 and name HG ))
4.200 2.200 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.86430E-03 ppm1 8.587 ppm2 1.942 CV 1
OR { 617}
(( segid "A " and resid 47 and name H ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 634}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 48 and name HA ))
2.600 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.62125E-02 ppm1 8.259 ppm2 4.249 CV 1
OR { 634}
(( segid "A " and resid 49 and name H ))
(( segid "A " and resid 47 and name HA2 ))
ASSI { 649}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 46 and name HB3 ))
3.900 1.900 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 8.306 ppm2 1.813 CV 1
OR { 649}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 49 and name HB3 ))
OR { 649}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 46 and name HB2 ))
ASSI { 651}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 39 and name HG21))
4.500 2.600 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.58131E-03 ppm1 8.309 ppm2 1.367 CV 1
OR { 651}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 39 and name HG22))
OR { 651}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 39 and name HG23))
OR { 651}
(( segid "A " and resid 50 and name H ))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 705}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 53 and name HA ))
3.100 1.200 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.873 ppm2 4.238 CV 1
OR { 705}
(( segid "A " and resid 54 and name H ))
(( segid "A " and resid 55 and name HA ))
ASSI { 738}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 53 and name HA ))
2.900 1.100 1.100 peak 738 spectrum 1 weight 0.10000E+01 volume 0.25541E-02 ppm1 7.899 ppm2 4.243 CV 1
OR { 738}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 55 and name HA ))
ASSI { 748}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 53 and name HB3 ))
2.800 2.800 3.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.86585E-03 ppm1 7.903 ppm2 1.506 CV 1
OR { 748}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 53 and name HB1 ))
OR { 748}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 53 and name HB2 ))
OR { 748}
(( segid "A " and resid 56 and name H ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 776}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 59 and name HA ))
2.500 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.47047E-02 ppm1 7.955 ppm2 3.868 CV 1
OR { 776}
(( segid "A " and resid 59 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 795}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 59 and name HA ))
3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.22905E-02 ppm1 8.072 ppm2 3.869 CV 1
OR { 795}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 800}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 62 and name HB2 ))
4.300 2.300 1.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.58645E-03 ppm1 8.071 ppm2 1.776 CV 1
OR { 800}
(( segid "A " and resid 60 and name H ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 812}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 58 and name HA ))
2.800 1.000 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 8.337 ppm2 3.867 CV 1
OR { 812}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 59 and name HA ))
ASSI { 815}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 59 and name HB2 ))
3.800 1.800 1.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.61663E-03 ppm1 8.334 ppm2 2.172 CV 1
OR { 815}
(( segid "A " and resid 61 and name H ))
(( segid "C " and resid 1900 and name HG ))
OR { 815}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 85 and name HE3 ))
OR { 815}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 85 and name HE2 ))
ASSI { 816}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 62 and name HG ))
4.700 2.800 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.62225E-03 ppm1 8.335 ppm2 2.060 CV 1
OR { 816}
(( segid "A " and resid 61 and name H ))
(( segid "C " and resid 1900 and name HB3 ))
ASSI { 817}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 57 and name HD2 ))
4.700 2.800 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.62380E-03 ppm1 8.338 ppm2 1.651 CV 1
OR { 817}
(( segid "A " and resid 61 and name H ))
( segid "C " and resid 1907 and name HB% )
ASSI { 818}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 58 and name HG ))
3.900 1.900 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10173E-02 ppm1 8.341 ppm2 1.396 CV 1
OR { 818}
(( segid "A " and resid 61 and name H ))
(( segid "A " and resid 57 and name HG2 ))
ASSI { 827}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 59 and name HA ))
3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 7.709 ppm2 3.869 CV 1
OR { 827}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 58 and name HA ))
ASSI { 839}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 58 and name HD13))
4.400 2.400 1.600 peak 839 spectrum 1 weight 0.10000E+01 volume 0.93646E-03 ppm1 7.712 ppm2 0.869 CV 1
OR { 839}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 70 and name HG21))
OR { 839}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 70 and name HG23))
OR { 839}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 70 and name HG22))
OR { 839}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 58 and name HD11))
ASSI { 842}
(( segid "A " and resid 62 and name H ))
(( segid "C " and resid 1908 and name H ))
4.000 2.000 2.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 7.717 ppm2 8.921 CV 1
OR { 842}
(( segid "A " and resid 62 and name H ))
(( segid "A " and resid 75 and name H ))
ASSI { 848}
(( segid "A " and resid 63 and name H ))
(( segid "A " and resid 61 and name HA ))
3.200 3.200 2.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.61102E-03 ppm1 7.865 ppm2 4.451 CV 1
OR { 848}
(( segid "A " and resid 63 and name H ))
(( segid "C " and resid 1908 and name HA ))
ASSI { 869}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 74 and name HG3 ))
3.000 1.200 1.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 8.254 ppm2 2.926 CV 1
OR { 869}
(( segid "A " and resid 64 and name H ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 882}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 74 and name HG3 ))
4.400 2.400 1.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.60588E-03 ppm1 8.015 ppm2 2.924 CV 1
OR { 882}
(( segid "A " and resid 65 and name H ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 894}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 66 and name HA ))
2.400 0.700 0.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.63097E-02 ppm1 8.600 ppm2 4.148 CV 1
OR { 894}
(( segid "A " and resid 67 and name H ))
(( segid "A " and resid 68 and name HA ))
ASSI { 902}
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ASSI { 1390}
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OR { 1390}
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ASSI { 1395}
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OR { 1395}
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ASSI { 1422}
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OR { 1422}
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ASSI { 1437}
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ASSI { 1453}
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OR { 1453}
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ASSI { 1493}
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OR { 1493}
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ASSI { 1502}
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OR { 1502}
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ASSI { 1503}
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4.600 2.700 1.400 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.60027E-03 ppm1 8.023 ppm2 0.841 CV 1
OR { 1503}
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ASSI { 1508}
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3.700 1.800 1.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.73535E-03 ppm1 7.850 ppm2 3.987 CV 1
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ASSI { 1518}
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ASSI { 1520}
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OR { 1520}
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ASSI { 1521}
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3.900 1.900 1.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.68828E-03 ppm1 8.517 ppm2 3.979 CV 1
OR { 1521}
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ASSI { 1531}
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3.700 1.700 1.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.76861E-03 ppm1 8.514 ppm2 0.914 CV 1
OR { 1531}
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(( segid "B " and resid 38 and name H ))
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ASSI { 1532}
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(( segid "B " and resid 37 and name HD21))
3.500 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.17240E-02 ppm1 8.516 ppm2 0.851 CV 1
OR { 1532}
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(( segid "B " and resid 38 and name H ))
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(( segid "B " and resid 38 and name H ))
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ASSI { 1535}
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ASSI { 1536}
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(( segid "B " and resid 42 and name HB2 ))
4.100 2.100 1.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.74765E-03 ppm1 7.963 ppm2 2.059 CV 1
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(( segid "B " and resid 38 and name HG ))
ASSI { 1537}
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(( segid "B " and resid 38 and name HB3 ))
3.700 1.700 1.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 7.961 ppm2 1.993 CV 1
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ASSI { 1540}
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OR { 1540}
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OR { 1540}
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(( segid "B " and resid 38 and name HD23))
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OR { 1540}
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(( segid "B " and resid 38 and name HD21))
ASSI { 1542}
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(( segid "B " and resid 38 and name H ))
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ASSI { 1548}
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OR { 1548}
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ASSI { 1556}
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ASSI { 1572}
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3.400 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 7.617 ppm2 3.416 CV 1
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ASSI { 1578}
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OR { 1578}
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(( segid "B " and resid 40 and name HB2 ))
ASSI { 1579}
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(( segid "A " and resid 5 and name HB2 ))
ASSI { 1581}
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(( segid "B " and resid 38 and name HB3 ))
3.700 1.700 1.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.67753E-03 ppm1 7.601 ppm2 2.001 CV 1
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ASSI { 1585}
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(( segid "B " and resid 38 and name HD23))
4.700 2.700 1.300 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.10664E-02 ppm1 7.600 ppm2 1.040 CV 1
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OR { 1585}
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(( segid "A " and resid 5 and name HD11))
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ASSI { 1594}
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3.600 1.600 1.600 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.12358E-02 ppm1 9.965 ppm2 7.314 CV 1
OR { 1594}
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( segid "B " and resid 45 and name HD% )
ASSI { 1601}
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(( segid "B " and resid 46 and name H ))
ASSI { 1610}
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(( segid "B " and resid 46 and name HG ))
3.800 1.800 1.800 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.73177E-03 ppm1 8.048 ppm2 1.996 CV 1
OR { 1610}
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(( segid "B " and resid 38 and name HB3 ))
ASSI { 1651}
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2.900 1.000 1.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.34036E-02 ppm1 8.219 ppm2 1.754 CV 1
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ASSI { 1665}
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4.200 2.200 1.800 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.72360E-03 ppm1 7.999 ppm2 1.321 CV 1
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OR { 1665}
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ASSI { 1683}
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3.800 1.800 1.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 8.636 ppm2 7.983 CV 1
OR { 1683}
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ASSI { 1691}
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OR { 1691}
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ASSI { 1706}
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3.000 1.200 1.200 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.25361E-02 ppm1 8.000 ppm2 4.238 CV 1
OR { 1706}
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ASSI { 1721}
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2.300 0.600 0.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.72257E-02 ppm1 8.371 ppm2 7.983 CV 1
OR { 1721}
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OR { 1721}
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ASSI { 1729}
(( segid "B " and resid 56 and name H ))
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4.600 2.600 1.400 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.79266E-03 ppm1 8.374 ppm2 1.928 CV 1
OR { 1729}
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OR { 1729}
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ASSI { 1730}
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4.100 2.100 1.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.74765E-03 ppm1 8.374 ppm2 1.772 CV 1
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OR { 1730}
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ASSI { 1731}
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4.500 2.600 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.73997E-03 ppm1 8.370 ppm2 1.523 CV 1
OR { 1731}
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OR { 1731}
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OR { 1731}
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ASSI { 1733}
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(( segid "B " and resid 55 and name HA ))
3.200 1.300 1.300 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 8.371 ppm2 4.076 CV 1
OR { 1733}
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ASSI { 1735}
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3.000 3.000 3.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 7.976 ppm2 4.237 CV 1
OR { 1735}
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(( segid "C " and resid 1921 and name HA ))
ASSI { 1737}
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3.200 1.300 1.300 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.18863E-02 ppm1 7.978 ppm2 4.027 CV 1
OR { 1737}
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ASSI { 1748}
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2.800 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.23315E-02 ppm1 8.001 ppm2 4.078 CV 1
OR { 1748}
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ASSI { 1749}
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2.600 0.800 0.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.26861E-02 ppm1 8.000 ppm2 4.024 CV 1
OR { 1749}
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(( segid "B " and resid 56 and name HA ))
ASSI { 1751}
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2.500 0.800 0.800 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.38124E-02 ppm1 8.000 ppm2 1.926 CV 1
OR { 1751}
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(( segid "B " and resid 58 and name HB3 ))
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ASSI { 1761}
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(( segid "B " and resid 58 and name H ))
2.700 0.900 0.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.25648E-02 ppm1 8.264 ppm2 7.997 CV 1
OR { 1761}
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ASSI { 1763}
(( segid "B " and resid 59 and name H ))
(( segid "B " and resid 58 and name HA ))
2.900 1.100 1.100 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.29138E-02 ppm1 8.265 ppm2 4.028 CV 1
OR { 1763}
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OR { 1763}
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ASSI { 1769}
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4.000 2.000 2.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 8.263 ppm2 1.503 CV 1
OR { 1769}
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ASSI { 1771}
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3.900 1.900 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 8.263 ppm2 0.904 CV 1
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OR { 1771}
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OR { 1771}
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OR { 1771}
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OR { 1771}
(( segid "B " and resid 59 and name H ))
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ASSI { 1772}
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3.500 1.600 1.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.92623E-03 ppm1 8.265 ppm2 0.835 CV 1
OR { 1772}
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ASSI { 1782}
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4.500 2.600 1.500 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.69748E-03 ppm1 8.051 ppm2 0.910 CV 1
OR { 1782}
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OR { 1782}
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(( segid "B " and resid 70 and name HG21))
OR { 1782}
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OR { 1782}
(( segid "B " and resid 60 and name H ))
(( segid "B " and resid 58 and name HD13))
OR { 1782}
(( segid "B " and resid 60 and name H ))
( segid "C " and resid 1921 and name HD2%)
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(( segid "B " and resid 58 and name HD11))
ASSI { 1789}
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2.900 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.40739E-02 ppm1 7.718 ppm2 4.029 CV 1
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(( segid "B " and resid 60 and name HB3 ))
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ASSI { 1795}
(( segid "B " and resid 61 and name H ))
( segid "C " and resid 1921 and name HD2%)
4.200 2.200 1.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 7.719 ppm2 0.906 CV 1
OR { 1795}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 58 and name HD12))
OR { 1795}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 58 and name HD13))
OR { 1795}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 58 and name HD11))
OR { 1795}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 70 and name HG22))
OR { 1795}
(( segid "B " and resid 61 and name H ))
(( segid "B " and resid 70 and name HG21))
ASSI { 1804}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 58 and name HA ))
4.300 2.300 1.700 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.80241E-03 ppm1 8.001 ppm2 4.025 CV 1
OR { 1804}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 60 and name HB3 ))
OR { 1804}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 1811}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 70 and name HG22))
3.800 1.800 1.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 8.000 ppm2 0.908 CV 1
OR { 1811}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 70 and name HG21))
OR { 1811}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 70 and name HG23))
OR { 1811}
(( segid "B " and resid 62 and name H ))
( segid "C " and resid 1921 and name HD2%)
OR { 1811}
(( segid "B " and resid 62 and name H ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1815}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 60 and name HA ))
3.100 1.200 1.200 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 7.767 ppm2 4.306 CV 1
OR { 1815}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 64 and name HA ))
ASSI { 1822}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 70 and name HG22))
3.800 1.800 1.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 7.767 ppm2 0.912 CV 1
OR { 1822}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 70 and name HG21))
OR { 1822}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 70 and name HG23))
OR { 1822}
(( segid "B " and resid 63 and name H ))
(( segid "B " and resid 34 and name HD13))
ASSI { 1833}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 74 and name HG2 ))
3.600 1.600 1.600 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.15730E-02 ppm1 8.303 ppm2 2.911 CV 1
OR { 1833}
(( segid "B " and resid 64 and name H ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1842}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HB2 ))
3.600 1.700 1.700 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 8.177 ppm2 4.141 CV 1
OR { 1842}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 66 and name HA ))
ASSI { 1843}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 64 and name HB3 ))
3.600 1.700 1.700 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 8.177 ppm2 4.019 CV 1
OR { 1843}
(( segid "B " and resid 65 and name H ))
(( segid "B " and resid 60 and name HB2 ))
ASSI { 1851}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 64 and name HA ))
3.400 1.400 1.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.10992E-02 ppm1 7.687 ppm2 4.321 CV 1
OR { 1851}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 60 and name HA ))
ASSI { 1854}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 65 and name HB3 ))
4.200 2.200 1.800 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.82081E-03 ppm1 7.688 ppm2 2.908 CV 1
OR { 1854}
(( segid "B " and resid 66 and name H ))
(( segid "B " and resid 63 and name HB2 ))
ASSI { 1865}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 66 and name HA ))
2.300 0.600 0.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.79473E-02 ppm1 8.734 ppm2 4.151 CV 1
OR { 1865}
(( segid "B " and resid 67 and name H ))
(( segid "B " and resid 68 and name HA ))
ASSI { 1873}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 67 and name HB2 ))
3.500 1.500 1.500 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 7.816 ppm2 3.204 CV 1
OR { 1873}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 68 and name HB2 ))
ASSI { 1875}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 63 and name HB3 ))
3.600 1.600 1.600 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.91806E-03 ppm1 7.818 ppm2 2.421 CV 1
OR { 1875}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 67 and name HB3 ))
ASSI { 1880}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 70 and name HG22))
4.000 2.000 2.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.69083E-03 ppm1 7.816 ppm2 0.918 CV 1
OR { 1880}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 70 and name HG23))
OR { 1880}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 70 and name HG21))
OR { 1880}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 34 and name HD11))
ASSI { 1887}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 29 and name HB2 ))
3.400 1.500 1.500 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 10.039 ppm2 2.156 CV 1
OR { 1887}
(( segid "B " and resid 70 and name H ))
(( segid "B " and resid 69 and name HG2 ))
ASSI { 1916}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 74 and name HB2 ))
2.900 1.000 1.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.10245E-02 ppm1 8.899 ppm2 2.291 CV 1
OR { 1916}
(( segid "B " and resid 74 and name H ))
(( segid "B " and resid 73 and name HB3 ))
ASSI { 1927}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 74 and name HG3 ))
4.500 2.500 1.500 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.82746E-03 ppm1 8.747 ppm2 2.602 CV 1
OR { 1927}
(( segid "B " and resid 75 and name H ))
(( segid "B " and resid 76 and name HB3 ))
ASSI { 1936}
(( segid "B " and resid 76 and name H ))
(( segid "A " and resid 80 and name HB3 ))
4.600 2.700 1.400 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.64631E-03 ppm1 8.333 ppm2 3.424 CV 1
OR { 1936}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 77 and name HA ))
OR { 1936}
(( segid "B " and resid 76 and name H ))
(( segid "B " and resid 78 and name HB2 ))
ASSI { 1967}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HG23))
3.500 1.500 1.500 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 7.668 ppm2 1.014 CV 1
OR { 1967}
(( segid "B " and resid 78 and name H ))
( segid "C " and resid 1917 and name HD2%)
OR { 1967}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 77 and name HG22))
OR { 1967}
(( segid "B " and resid 78 and name H ))
(( segid "B " and resid 79 and name HB3 ))
ASSI { 1974}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 78 and name HA ))
3.400 1.500 1.500 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 8.579 ppm2 4.317 CV 1
OR { 1974}
(( segid "B " and resid 79 and name H ))
(( segid "B " and resid 75 and name HA ))
ASSI { 1984}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 76 and name HA ))
3.900 1.900 1.900 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.92523E-03 ppm1 8.238 ppm2 3.561 CV 1
OR { 1984}
(( segid "B " and resid 80 and name H ))
(( segid "A " and resid 76 and name HA ))
ASSI { 1987}
(( segid "B " and resid 80 and name H ))
(( segid "A " and resid 76 and name HB2 ))
4.700 2.700 1.300 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.60998E-03 ppm1 8.236 ppm2 3.163 CV 1
OR { 1987}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 81 and name HB2 ))
ASSI { 1988}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 81 and name HB3 ))
4.400 2.400 1.600 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.77477E-03 ppm1 8.240 ppm2 2.561 CV 1
OR { 1988}
(( segid "B " and resid 80 and name H ))
(( segid "A " and resid 76 and name HB3 ))
ASSI { 1990}
(( segid "B " and resid 80 and name H ))
( segid "C " and resid 1914 and name HG1%)
3.500 1.600 1.600 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 8.241 ppm2 1.166 CV 1
OR { 1990}
(( segid "B " and resid 80 and name H ))
( segid "C " and resid 1917 and name HD1%)
ASSI { 1991}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 79 and name HB3 ))
3.300 1.400 1.400 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 8.240 ppm2 1.006 CV 1
OR { 1991}
(( segid "B " and resid 80 and name H ))
( segid "C " and resid 1914 and name HG2%)
ASSI { 1992}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 79 and name HD21))
3.400 1.500 1.500 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.88274E-03 ppm1 8.241 ppm2 0.467 CV 1
OR { 1992}
(( segid "B " and resid 80 and name H ))
(( segid "B " and resid 82 and name HG13))
ASSI { 1995}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 80 and name HB2 ))
3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.12793E-02 ppm1 7.621 ppm2 4.317 CV 1
OR { 1995}
(( segid "B " and resid 81 and name H ))
(( segid "B " and resid 78 and name HA ))
ASSI { 2004}
(( segid "B " and resid 82 and name H ))
( segid "C " and resid 1917 and name HD1%)
2.700 2.700 3.300 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.20300E-02 ppm1 7.939 ppm2 1.181 CV 1
OR { 2004}
(( segid "B " and resid 82 and name H ))
( segid "C " and resid 1914 and name HG1%)
ASSI { 2005}
(( segid "B " and resid 82 and name H ))
( segid "C " and resid 1930 and name HG2%)
4.100 2.100 1.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.65247E-03 ppm1 7.936 ppm2 1.033 CV 1
OR { 2005}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 38 and name HD21))
OR { 2005}
(( segid "B " and resid 82 and name H ))
(( segid "B " and resid 38 and name HD22))
ASSI { 2019}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 79 and name HA ))
3.600 1.600 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.81723E-03 ppm1 8.823 ppm2 3.284 CV 1
OR { 2019}
(( segid "B " and resid 83 and name H ))
(( segid "A " and resid 76 and name HG ))
ASSI { 2023}
(( segid "B " and resid 83 and name H ))
(( segid "A " and resid 9 and name HD21))
2.800 2.800 3.200 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.59465E-03 ppm1 8.822 ppm2 0.676 CV 1
OR { 2023}
(( segid "B " and resid 83 and name H ))
(( segid "A " and resid 9 and name HD23))
OR { 2023}
(( segid "B " and resid 83 and name H ))
(( segid "A " and resid 9 and name HD22))
OR { 2023}
(( segid "B " and resid 83 and name H ))
(( segid "B " and resid 42 and name HD21))
ASSI { 2075}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 87 and name HA ))
2.900 1.100 1.100 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.24962E-02 ppm1 7.704 ppm2 4.260 CV 1
OR { 2075}
(( segid "B " and resid 88 and name H ))
(( segid "B " and resid 86 and name HA ))
ASSI { 2086}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 86 and name HA ))
3.200 1.300 1.300 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 7.374 ppm2 4.256 CV 1
OR { 2086}
(( segid "B " and resid 89 and name H ))
(( segid "B " and resid 87 and name HA ))
ASSI { 2099}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 86 and name HA ))
3.100 1.200 1.200 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.19420E-02 ppm1 7.747 ppm2 4.258 CV 1
OR { 2099}
(( segid "B " and resid 90 and name H ))
(( segid "B " and resid 87 and name HA ))
ASSI { 2133}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 88 and name HA ))
3.500 1.500 1.500 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.83053E-03 ppm1 7.968 ppm2 3.963 CV 1
OR { 2133}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 91 and name HA ))
ASSI { 2135}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 92 and name HA3 ))
3.000 1.100 1.100 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.62177E-02 ppm1 7.970 ppm2 3.727 CV 1
OR { 2135}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 94 and name HD2 ))
ASSI { 2139}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 91 and name HG2 ))
4.300 2.300 1.700 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.70006E-03 ppm1 7.969 ppm2 1.973 CV 1
OR { 2139}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 94 and name HG3 ))
OR { 2139}
(( segid "B " and resid 93 and name H ))
(( segid "B " and resid 94 and name HG2 ))
ASSI { 2162}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 95 and name HB3 ))
3.500 1.600 1.600 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.12061E-02 ppm1 8.144 ppm2 2.681 CV 1
OR { 2162}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name HB3 ))
ASSI { 2192}
(( segid "B " and resid 37 and name H ))
(( segid "B " and resid 37 and name HB2 ))
2.400 0.700 0.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.31743E-02 ppm1 7.941 ppm2 1.670 CV 1
OR { 2192}
(( segid "A " and resid 37 and name H ))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 2203}
(( segid "A " and resid 29 and name H ))
(( segid "A " and resid 29 and name HB3 ))
3.700 1.700 1.700 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.12906E-02 ppm1 9.656 ppm2 1.235 CV 1
OR { 2203}
(( segid "B " and resid 29 and name H ))
(( segid "B " and resid 29 and name HB3 ))
ASSI { 2207}
(( segid "B " and resid 28 and name H ))
(( segid "B " and resid 27 and name HB3 ))
3.900 1.900 1.900 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 7.210 ppm2 3.162 CV 1
OR { 2207}
(( segid "A " and resid 28 and name H ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 2216}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HG3 ))
2.900 1.000 1.000 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.18837E-02 ppm1 9.349 ppm2 1.263 CV 1
OR { 2216}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HG3 ))
ASSI { 2217}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HD3 ))
3.100 1.200 1.200 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 9.350 ppm2 1.633 CV 1
OR { 2217}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HD3 ))
OR { 2217}
(( segid "B " and resid 26 and name H ))
(( segid "B " and resid 26 and name HD2 ))
OR { 2217}
(( segid "A " and resid 26 and name H ))
(( segid "A " and resid 26 and name HD2 ))
ASSI { 2218}
(( segid "A " and resid 23 and name H ))
(( segid "A " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.47632E-02 ppm1 9.611 ppm2 1.984 CV 1
OR { 2218}
(( segid "B " and resid 23 and name H ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 2235}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 26 and name HE3 ))
4.100 2.100 1.900 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 7.007 ppm2 3.020 CV 1
OR { 2235}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 26 and name HE2 ))
OR { 2235}
(( segid "A " and resid 17 and name H ))
(( segid "A " and resid 75 and name HB3 ))
OR { 2235}
(( segid "A " and resid 17 and name H ))
(( segid "B " and resid 90 and name HB2 ))
ASSI { 2243}
(( segid "B " and resid 96 and name H ))
(( segid "B " and resid 95 and name HB2 ))
4.100 2.100 1.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 8.145 ppm2 2.763 CV 1
OR { 2243}
(( segid "A " and resid 96 and name H ))
(( segid "A " and resid 95 and name HB2 ))
ASSI { 2257}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 30 and name HA ))
4.000 2.000 2.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 7.817 ppm2 4.807 CV 1
OR { 2257}
(( segid "B " and resid 69 and name H ))
(( segid "B " and resid 67 and name HA ))
ASSI { 3}
( segid "A " and resid 93 and name HD% )
(( segid "A " and resid 93 and name HB2 ))
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.88038E-02 ppm1 7.295 ppm2 3.158 CV 1
OR { 3}
( segid "B " and resid 93 and name HD% )
(( segid "B " and resid 93 and name HB2 ))
ASSI { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 37 and name HD22))
2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.34165E-02 ppm1 7.024 ppm2 0.862 CV 1
OR { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 37 and name HD23))
OR { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 58 and name HD12))
OR { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 37 and name HD21))
OR { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 58 and name HD13))
OR { 37}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 58 and name HD11))
ASSI { 38}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1900 and name HD1%)
2.300 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.27695E-02 ppm1 7.018 ppm2 0.946 CV 1
OR { 38}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 38 and name HD21))
OR { 38}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 38 and name HD22))
ASSI { 40}
( segid "A " and resid 78 and name HE% )
(( segid "B " and resid 5 and name HD11))
3.300 1.400 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22837E-02 ppm1 7.027 ppm2 1.089 CV 1
OR { 40}
( segid "A " and resid 78 and name HE% )
( segid "C " and resid 1900 and name HD2%)
OR { 40}
( segid "A " and resid 78 and name HE% )
(( segid "B " and resid 5 and name HD12))
OR { 40}
( segid "A " and resid 78 and name HE% )
(( segid "B " and resid 5 and name HD13))
OR { 40}
( segid "A " and resid 78 and name HE% )
(( segid "A " and resid 82 and name HG13))
ASSI { 49}
( segid "B " and resid 78 and name HD% )
( segid "C " and resid 1921 and name HD1%)
2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.47738E-02 ppm1 7.013 ppm2 0.915 CV 1
OR { 49}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD13))
OR { 49}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD12))
OR { 49}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD11))
ASSI { 50}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD23))
3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.17285E-02 ppm1 7.009 ppm2 0.858 CV 1
OR { 50}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD22))
OR { 50}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 34 and name HD21))
OR { 50}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 37 and name HD23))
ASSI { 51}
( segid "B " and resid 78 and name HD% )
( segid "C " and resid 1917 and name HD2%)
3.600 1.600 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 7.008 ppm2 1.029 CV 1
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 79 and name HB3 ))
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 38 and name HD11))
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 38 and name HD13))
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 38 and name HD12))
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 38 and name HD21))
OR { 51}
( segid "B " and resid 78 and name HD% )
(( segid "B " and resid 38 and name HD22))
ASSI { 59}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 82 and name HG13))
3.200 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 6.889 ppm2 0.476 CV 1
OR { 59}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 79 and name HD22))
OR { 59}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 79 and name HD13))
OR { 59}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 79 and name HD12))
OR { 59}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 79 and name HD11))
ASSI { 62}
( segid "B " and resid 78 and name HE% )
(( segid "B " and resid 34 and name HD23))
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ASSI { 63}
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ASSI { 64}
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ASSI { 111}
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ASSI { 112}
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ASSI { 113}
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ASSI { 116}
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ASSI { 124}
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ASSI { 128}
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ASSI { 132}
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ASSI { 134}
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ASSI { 139}
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ASSI { 142}
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ASSI { 144}
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ASSI { 145}
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ASSI { 146}
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ASSI { 151}
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ASSI { 155}
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ASSI { 156}
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ASSI { 157}
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ASSI { 158}
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ASSI { 159}
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ASSI { 160}
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ASSI { 161}
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ASSI { 163}
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ASSI { 164}
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ASSI { 166}
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ASSI { 167}
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ASSI { 168}
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ASSI { 169}
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ASSI { 170}
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OR { 170}
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ASSI { 172}
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ASSI { 173}
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(( segid "B " and resid 18 and name HD2 ))
ASSI { 174}
( segid "A " and resid 19 and name HE% )
(( segid "A " and resid 18 and name HD3 ))
2.600 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.21175E-02 ppm1 6.847 ppm2 1.672 CV 1
OR { 174}
( segid "B " and resid 19 and name HE% )
(( segid "B " and resid 18 and name HD3 ))
OR { 174}
( segid "B " and resid 19 and name HE% )
(( segid "B " and resid 37 and name HB2 ))
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