NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
580152 |
4cio   |
18846 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 9}
(( segid "SUPR" and resid 108 and name HB1 ))
(( segid "SUPR" and resid 108 and name HB2 ))
1.900 0.500 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10817E-01 ppm1 3.011 ppm2 2.803 CV 1
ASSI { 26}
(( segid "SUPR" and resid 55 and name HB2 ))
(( segid "SUPR" and resid 56 and name HA ))
4.100 2.100 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.92686E-03 ppm1 3.248 ppm2 4.413 CV 1
ASSI { 28}
(( segid "SUPR" and resid 56 and name HG2 ))
(( segid "SUPR" and resid 56 and name HA ))
3.500 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 2.627 ppm2 4.426 CV 1
ASSI { 29}
(( segid "SUPR" and resid 56 and name HG1 ))
(( segid "SUPR" and resid 56 and name HA ))
3.500 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.14065E-02 ppm1 2.412 ppm2 4.426 CV 1
ASSI { 35}
(( segid "SUPR" and resid 62 and name HB2 ))
(( segid "SUPR" and resid 82 and name HB ))
3.400 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.29838E-02 ppm1 1.828 ppm2 3.921 CV 1
ASSI { 36}
(( segid "SUPR" and resid 62 and name HB1 ))
(( segid "SUPR" and resid 82 and name HB ))
2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.18549E-02 ppm1 1.707 ppm2 3.920 CV 1
ASSI { 42}
(( segid "SUPR" and resid 56 and name HB1 ))
(( segid "SUPR" and resid 56 and name HA ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.40127E-02 ppm1 2.068 ppm2 4.422 CV 1
ASSI { 45}
(( segid "SUPR" and resid 94 and name HD2 ))
(( segid "SUPR" and resid 94 and name HA ))
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.45732E-02 ppm1 1.765 ppm2 3.887 CV 1
ASSI { 46}
(( segid "SUPR" and resid 49 and name HB2 ))
(( segid "SUPR" and resid 49 and name HA ))
2.500 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.45445E-02 ppm1 1.916 ppm2 4.148 CV 1
ASSI { 50}
(( segid "SUPR" and resid 115 and name HB1 ))
(( segid "SUPR" and resid 116 and name HD1 ))
4.000 2.000 2.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 1.825 ppm2 3.807 CV 1
ASSI { 52}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 43 and name HD1 ))
4.200 2.200 1.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.71825E-03 ppm1 2.054 ppm2 3.782 CV 1
OR { 52}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 43 and name HD2 ))
ASSI { 56}
(( segid "SUPR" and resid 99 and name HG11))
(( segid "SUPR" and resid 99 and name HA ))
3.600 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 1.472 ppm2 4.203 CV 1
ASSI { 57}
(( segid "SUPR" and resid 99 and name HG12))
(( segid "SUPR" and resid 99 and name HA ))
3.000 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.15476E-02 ppm1 1.127 ppm2 4.203 CV 1
ASSI { 60}
(( segid "SUPR" and resid 67 and name HG12))
(( segid "SUPR" and resid 79 and name HA2 ))
2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 1.202 ppm2 3.944 CV 1
ASSI { 61}
(( segid "SUPR" and resid 76 and name HG2 ))
(( segid "SUPR" and resid 76 and name HA ))
2.800 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.21568E-02 ppm1 1.588 ppm2 4.540 CV 1
ASSI { 62}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 76 and name HA ))
2.900 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.35861E-02 ppm1 1.700 ppm2 4.544 CV 1
ASSI { 70}
( segid "SUPR" and resid 118 and name HG2%)
(( segid "SUPR" and resid 118 and name HB ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.31473E-02 ppm1 1.205 ppm2 4.202 CV 1
ASSI { 75}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 71 and name HB2 ))
2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.40221E-02 ppm1 1.187 ppm2 3.006 CV 1
ASSI { 77}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 83 and name HG2 ))
3.300 3.300 2.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.34307E-02 ppm1 1.196 ppm2 2.596 CV 1
OR { 77}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 83 and name HB1 ))
ASSI { 78}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 69 and name HB1 ))
4.000 2.000 2.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.97282E-03 ppm1 1.192 ppm2 2.510 CV 1
ASSI { 81}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 73 and name HG2 ))
4.300 2.300 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.71978E-03 ppm1 0.994 ppm2 2.288 CV 1
OR { 81}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 73 and name HG1 ))
ASSI { 85}
(( segid "SUPR" and resid 36 and name HG2 ))
(( segid "SUPR" and resid 36 and name HE2 ))
3.100 1.200 1.200 peak 85 spectrum 1 weight 0.10000E+01 volume 0.98933E-03 ppm1 1.425 ppm2 2.348 CV 1
ASSI { 88}
(( segid "SUPR" and resid 70 and name HG1 ))
(( segid "SUPR" and resid 73 and name HG1 ))
3.700 1.700 1.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.84227E-03 ppm1 1.713 ppm2 2.284 CV 1
OR { 88}
(( segid "SUPR" and resid 70 and name HG2 ))
(( segid "SUPR" and resid 73 and name HG1 ))
OR { 88}
(( segid "SUPR" and resid 70 and name HG1 ))
(( segid "SUPR" and resid 73 and name HG2 ))
OR { 88}
(( segid "SUPR" and resid 70 and name HG2 ))
(( segid "SUPR" and resid 73 and name HG2 ))
ASSI { 90}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 60 and name HB2 ))
2.800 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.39851E-02 ppm1 1.718 ppm2 2.603 CV 1
OR { 90}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 60 and name HB2 ))
ASSI { 91}
(( segid "SUPR" and resid 91 and name HG1 ))
(( segid "SUPR" and resid 91 and name HB1 ))
2.800 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 1.735 ppm2 2.342 CV 1
ASSI { 97}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 76 and name HD1 ))
2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 1.713 ppm2 3.378 CV 1
ASSI { 98}
(( segid "SUPR" and resid 76 and name HG2 ))
(( segid "SUPR" and resid 76 and name HD1 ))
3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 1.593 ppm2 3.381 CV 1
ASSI { 102}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 68 and name HB ))
4.100 2.100 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.63256E-03 ppm1 1.705 ppm2 3.676 CV 1
ASSI { 104}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 56 and name HG1 ))
3.600 3.600 2.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 2.093 ppm2 2.409 CV 1
ASSI { 105}
(( segid "SUPR" and resid 56 and name HB1 ))
(( segid "SUPR" and resid 56 and name HG2 ))
2.600 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.28779E-02 ppm1 2.093 ppm2 2.609 CV 1
ASSI { 106}
(( segid "SUPR" and resid 56 and name HB2 ))
(( segid "SUPR" and resid 56 and name HG2 ))
3.200 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 2.162 ppm2 2.605 CV 1
ASSI { 107}
(( segid "SUPR" and resid 56 and name HB2 ))
(( segid "SUPR" and resid 56 and name HG1 ))
2.600 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.29045E-02 ppm1 2.162 ppm2 2.413 CV 1
ASSI { 109}
(( segid "SUPR" and resid 33 and name HG2 ))
(( segid "SUPR" and resid 111 and name HB1 ))
3.700 1.700 1.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.74086E-03 ppm1 1.261 ppm2 2.956 CV 1
ASSI { 113}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 84 and name HE2 ))
3.700 1.800 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.74380E-03 ppm1 2.110 ppm2 2.965 CV 1
OR { 113}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 84 and name HE1 ))
OR { 113}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 84 and name HE2 ))
OR { 113}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 84 and name HE1 ))
ASSI { 126}
(( segid "SUPR" and resid 97 and name HB1 ))
(( segid "SUPR" and resid 104 and name HG1 ))
3.200 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 2.453 ppm2 1.313 CV 1
OR { 126}
(( segid "SUPR" and resid 97 and name HB1 ))
(( segid "SUPR" and resid 104 and name HG2 ))
ASSI { 127}
(( segid "SUPR" and resid 61 and name HB ))
( segid "SUPR" and resid 64 and name HB% )
3.100 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.29944E-02 ppm1 1.504 ppm2 1.347 CV 1
ASSI { 130}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 61 and name HB ))
2.600 2.600 3.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 1.922 ppm2 1.470 CV 1
ASSI { 132}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 94 and name HG2 ))
3.600 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.96378E-03 ppm1 2.332 ppm2 1.586 CV 1
OR { 132}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 94 and name HG1 ))
ASSI { 133}
(( segid "SUPR" and resid 62 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
4.100 2.100 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 1.690 ppm2 1.362 CV 1
OR { 133}
(( segid "SUPR" and resid 62 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
ASSI { 134}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 43 and name HB2 ))
1.900 0.500 0.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.72937E-02 ppm1 2.065 ppm2 1.619 CV 1
ASSI { 135}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 43 and name HG2 ))
3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.19656E-02 ppm1 2.073 ppm2 1.800 CV 1
ASSI { 137}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 103 and name HG1 ))
2.100 0.500 0.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.47625E-02 ppm1 1.728 ppm2 1.373 CV 1
ASSI { 140}
(( segid "SUPR" and resid 99 and name HG11))
( segid "SUPR" and resid 99 and name HD1%)
2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.60954E-02 ppm1 1.470 ppm2 0.709 CV 1
ASSI { 141}
(( segid "SUPR" and resid 99 and name HG11))
( segid "SUPR" and resid 99 and name HG2%)
2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.78860E-02 ppm1 1.457 ppm2 0.537 CV 1
ASSI { 144}
(( segid "SUPR" and resid 61 and name HG11))
( segid "SUPR" and resid 61 and name HG2%)
3.200 1.300 1.300 peak 144 spectrum 1 weight 0.10000E+01 volume 0.34370E-02 ppm1 1.530 ppm2 0.608 CV 1
ASSI { 145}
(( segid "SUPR" and resid 61 and name HG11))
(( segid "SUPR" and resid 61 and name HG12))
1.800 0.400 0.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.88719E-02 ppm1 1.530 ppm2 0.931 CV 1
ASSI { 147}
(( segid "SUPR" and resid 67 and name HG12))
( segid "SUPR" and resid 67 and name HD1%)
2.600 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.28822E-02 ppm1 1.187 ppm2 0.796 CV 1
ASSI { 148}
(( segid "SUPR" and resid 67 and name HG11))
( segid "SUPR" and resid 67 and name HG2%)
2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.40350E-02 ppm1 1.392 ppm2 0.918 CV 1
OR { 148}
(( segid "SUPR" and resid 67 and name HG11))
(( segid "SUPR" and resid 67 and name HB ))
ASSI { 152}
(( segid "SUPR" and resid 99 and name HG12))
( segid "SUPR" and resid 99 and name HD1%)
2.300 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.65884E-02 ppm1 1.121 ppm2 0.711 CV 1
ASSI { 153}
(( segid "SUPR" and resid 99 and name HG12))
(( segid "SUPR" and resid 99 and name HG11))
1.700 0.300 0.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17138E-01 ppm1 1.129 ppm2 1.457 CV 1
ASSI { 154}
(( segid "SUPR" and resid 99 and name HG12))
(( segid "SUPR" and resid 99 and name HB ))
2.600 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.40051E-02 ppm1 1.142 ppm2 1.791 CV 1
ASSI { 155}
(( segid "SUPR" and resid 61 and name HG12))
( segid "SUPR" and resid 61 and name HD1%)
2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.19372E-02 ppm1 0.935 ppm2 0.359 CV 1
ASSI { 157}
(( segid "SUPR" and resid 61 and name HG12))
( segid "SUPR" and resid 81 and name HG1%)
3.000 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 0.922 ppm2 0.537 CV 1
ASSI { 158}
(( segid "SUPR" and resid 61 and name HG12))
( segid "SUPR" and resid 61 and name HG2%)
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.45209E-02 ppm1 0.957 ppm2 0.608 CV 1
ASSI { 166}
(( segid "SUPR" and resid 99 and name HG11))
(( segid "SUPR" and resid 99 and name HB ))
2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.54184E-02 ppm1 1.470 ppm2 1.791 CV 1
ASSI { 171}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 49 and name HB2 ))
2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.23906E-02 ppm1 1.381 ppm2 1.904 CV 1
ASSI { 174}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 42 and name HG ))
2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.39193E-02 ppm1 0.619 ppm2 1.225 CV 1
ASSI { 179}
( segid "SUPR" and resid 66 and name HG2%)
( segid "SUPR" and resid 42 and name HD1%)
2.700 2.700 3.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.52371E-02 ppm1 0.558 ppm2 0.430 CV 1
ASSI { 181}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 37 and name HG11))
2.800 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.26347E-02 ppm1 0.899 ppm2 1.729 CV 1
ASSI { 182}
( segid "SUPR" and resid 50 and name HG2%)
( segid "SUPR" and resid 46 and name HG2%)
2.000 0.500 0.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.14271E-01 ppm1 1.269 ppm2 1.152 CV 1
ASSI { 188}
( segid "SUPR" and resid 82 and name HG2%)
( segid "SUPR" and resid 37 and name HD1%)
3.200 3.200 2.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.30735E-02 ppm1 1.192 ppm2 0.730 CV 1
OR { 188}
( segid "SUPR" and resid 82 and name HG2%)
( segid "SUPR" and resid 37 and name HG2%)
ASSI { 190}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HG1 ))
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.10603E-01 ppm1 1.200 ppm2 1.428 CV 1
OR { 190}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HG2 ))
ASSI { 194}
( segid "SUPR" and resid 65 and name HG1%)
( segid "SUPR" and resid 67 and name HD1%)
2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.84508E-02 ppm1 0.955 ppm2 0.794 CV 1
ASSI { 197}
( segid "SUPR" and resid 100 and name HG2%)
( segid "SUPR" and resid 51 and name HD2%)
3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.17015E-02 ppm1 0.445 ppm2 0.938 CV 1
OR { 197}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 51 and name HG ))
ASSI { 212}
(( segid "SUPR" and resid 67 and name HG11))
( segid "SUPR" and resid 80 and name HD% )
3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.70389E-03 ppm1 1.377 ppm2 6.624 CV 1
ASSI { 213}
(( segid "SUPR" and resid 67 and name HG12))
( segid "SUPR" and resid 80 and name HD% )
3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.56010E-03 ppm1 1.192 ppm2 6.622 CV 1
ASSI { 219}
(( segid "SUPR" and resid 96 and name HD2 ))
(( segid "SUPR" and resid 96 and name HB2 ))
4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 4.003 ppm2 2.154 CV 1
ASSI { 222}
(( segid "SUPR" and resid 87 and name HA ))
(( segid "SUPR" and resid 90 and name HB2 ))
2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.49995E-02 ppm1 4.247 ppm2 2.231 CV 1
OR { 222}
(( segid "SUPR" and resid 87 and name HA ))
(( segid "SUPR" and resid 90 and name HG1 ))
ASSI { 227}
(( segid "SUPR" and resid 117 and name HA ))
(( segid "SUPR" and resid 117 and name HB1 ))
3.100 1.200 1.200 peak 227 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 4.453 ppm2 1.766 CV 1
ASSI { 230}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 84 and name HB1 ))
4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 4.733 ppm2 1.716 CV 1
OR { 230}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 84 and name HD2 ))
OR { 230}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 84 and name HD1 ))
ASSI { 237}
(( segid "SUPR" and resid 53 and name HA ))
(( segid "SUPR" and resid 56 and name HG1 ))
3.700 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.14845E-02 ppm1 4.079 ppm2 2.413 CV 1
ASSI { 240}
(( segid "SUPR" and resid 91 and name HA ))
(( segid "SUPR" and resid 94 and name HB2 ))
2.900 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 3.979 ppm2 1.905 CV 1
ASSI { 246}
(( segid "SUPR" and resid 29 and name HB2 ))
(( segid "SUPR" and resid 30 and name HG1 ))
3.800 1.800 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.59278E-03 ppm1 3.874 ppm2 1.658 CV 1
OR { 246}
(( segid "SUPR" and resid 29 and name HB1 ))
(( segid "SUPR" and resid 30 and name HG1 ))
ASSI { 258}
(( segid "SUPR" and resid 56 and name HA ))
(( segid "SUPR" and resid 61 and name HG12))
3.900 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.75138E-03 ppm1 4.437 ppm2 0.929 CV 1
ASSI { 259}
(( segid "SUPR" and resid 86 and name HA ))
( segid "SUPR" and resid 89 and name HB% )
2.300 0.600 0.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.51479E-02 ppm1 4.083 ppm2 1.586 CV 1
ASSI { 262}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 104 and name HB1 ))
2.900 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.29887E-02 ppm1 4.097 ppm2 1.522 CV 1
ASSI { 266}
(( segid "SUPR" and resid 57 and name HA ))
(( segid "SUPR" and resid 57 and name HG2 ))
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11956E-02 ppm1 4.086 ppm2 0.131 CV 1
ASSI { 270}
(( segid "SUPR" and resid 85 and name HA ))
( segid "SUPR" and resid 35 and name HG2%)
2.800 1.000 1.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.26272E-02 ppm1 4.901 ppm2 0.807 CV 1
ASSI { 275}
(( segid "SUPR" and resid 58 and name HZ ))
( segid "SUPR" and resid 54 and name HE% )
3.500 1.600 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.72106E-03 ppm1 7.283 ppm2 6.453 CV 1
ASSI { 301}
(( segid "SUPR" and resid 37 and name HB ))
(( segid "SUPR" and resid 37 and name HG11))
2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.22517E-02 ppm1 1.894 ppm2 1.708 CV 1
ASSI { 331}
( segid "SUPR" and resid 42 and name HD2%)
( segid "SUPR" and resid 100 and name HD1%)
2.900 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 0.613 ppm2 0.217 CV 1
ASSI { 334}
(( segid "SUPR" and resid 108 and name HB2 ))
( segid "SUPR" and resid 112 and name HD1%)
3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.18969E-02 ppm1 2.817 ppm2 0.962 CV 1
ASSI { 336}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 61 and name HG12))
3.700 3.700 2.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 1.551 ppm2 0.927 CV 1
OR { 336}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 61 and name HG12))
ASSI { 337}
(( segid "SUPR" and resid 31 and name HA ))
( segid "SUPR" and resid 32 and name HG2%)
3.800 1.800 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.77253E-03 ppm1 4.662 ppm2 1.081 CV 1
ASSI { 338}
(( segid "SUPR" and resid 27 and name HB1 ))
(( segid "SUPR" and resid 27 and name HB2 ))
2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 2.004 ppm2 2.121 CV 1
ASSI { 345}
(( segid "SUPR" and resid 98 and name HB2 ))
(( segid "SUPR" and resid 98 and name HG1 ))
3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 1.547 ppm2 1.946 CV 1
ASSI { 347}
(( segid "SUPR" and resid 86 and name HG1 ))
(( segid "SUPR" and resid 34 and name HB2 ))
3.500 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.98101E-03 ppm1 1.662 ppm2 3.527 CV 1
ASSI { 349}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 69 and name HB2 ))
4.100 2.100 1.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 1.203 ppm2 3.127 CV 1
ASSI { 358}
(( segid "SUPR" and resid 26 and name HA ))
( segid "SUPR" and resid 26 and name HB% )
3.600 1.600 1.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.66477E-03 ppm1 4.334 ppm2 1.368 CV 1
ASSI { 360}
(( segid "SUPR" and resid 29 and name HB2 ))
(( segid "SUPR" and resid 29 and name HA ))
2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.40572E-02 ppm1 3.877 ppm2 4.437 CV 1
OR { 360}
(( segid "SUPR" and resid 29 and name HB1 ))
(( segid "SUPR" and resid 29 and name HA ))
ASSI { 361}
(( segid "SUPR" and resid 30 and name HA ))
(( segid "SUPR" and resid 30 and name HB1 ))
2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.47366E-02 ppm1 4.322 ppm2 1.773 CV 1
ASSI { 362}
(( segid "SUPR" and resid 30 and name HA ))
(( segid "SUPR" and resid 30 and name HB2 ))
2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.48256E-02 ppm1 4.320 ppm2 1.872 CV 1
ASSI { 364}
(( segid "SUPR" and resid 30 and name HA ))
(( segid "SUPR" and resid 30 and name HG1 ))
3.300 1.400 1.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.16369E-02 ppm1 4.324 ppm2 1.651 CV 1
ASSI { 368}
(( segid "SUPR" and resid 30 and name HD2 ))
(( segid "SUPR" and resid 30 and name HA ))
3.100 1.200 1.200 peak 368 spectrum 1 weight 0.10000E+01 volume 0.47039E-02 ppm1 3.205 ppm2 4.305 CV 1
OR { 368}
(( segid "SUPR" and resid 30 and name HD1 ))
(( segid "SUPR" and resid 30 and name HA ))
ASSI { 369}
(( segid "SUPR" and resid 30 and name HD2 ))
(( segid "SUPR" and resid 30 and name HG2 ))
2.400 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.59887E-02 ppm1 3.190 ppm2 1.595 CV 1
OR { 369}
(( segid "SUPR" and resid 30 and name HD1 ))
(( segid "SUPR" and resid 30 and name HG2 ))
ASSI { 370}
(( segid "SUPR" and resid 30 and name HG2 ))
(( segid "SUPR" and resid 30 and name HA ))
2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.30186E-02 ppm1 1.629 ppm2 4.312 CV 1
ASSI { 371}
(( segid "SUPR" and resid 31 and name HA ))
(( segid "SUPR" and resid 31 and name HB1 ))
2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.59836E-02 ppm1 4.662 ppm2 2.680 CV 1
ASSI { 372}
(( segid "SUPR" and resid 31 and name HA ))
(( segid "SUPR" and resid 31 and name HB2 ))
2.600 0.800 0.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.57860E-02 ppm1 4.662 ppm2 2.817 CV 1
ASSI { 374}
(( segid "SUPR" and resid 31 and name HB1 ))
(( segid "SUPR" and resid 31 and name HB2 ))
1.700 0.300 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.27701E-01 ppm1 2.692 ppm2 2.825 CV 1
ASSI { 377}
(( segid "SUPR" and resid 32 and name HA ))
( segid "SUPR" and resid 32 and name HG2%)
2.300 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.93878E-02 ppm1 4.672 ppm2 1.081 CV 1
ASSI { 378}
(( segid "SUPR" and resid 32 and name HA ))
(( segid "SUPR" and resid 36 and name HB1 ))
4.100 2.100 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.74692E-03 ppm1 4.681 ppm2 1.772 CV 1
ASSI { 379}
(( segid "SUPR" and resid 32 and name HA ))
( segid "SUPR" and resid 82 and name HG2%)
3.600 1.600 1.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.99611E-03 ppm1 4.674 ppm2 1.169 CV 1
ASSI { 381}
(( segid "SUPR" and resid 32 and name HB ))
(( segid "SUPR" and resid 36 and name HB1 ))
3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.29025E-02 ppm1 4.638 ppm2 1.793 CV 1
ASSI { 382}
(( segid "SUPR" and resid 32 and name HB ))
(( segid "SUPR" and resid 36 and name HB2 ))
2.700 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.19782E-02 ppm1 4.632 ppm2 2.072 CV 1
ASSI { 383}
(( segid "SUPR" and resid 32 and name HB ))
( segid "SUPR" and resid 82 and name HG2%)
3.000 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.22241E-02 ppm1 4.632 ppm2 1.166 CV 1
ASSI { 384}
( segid "SUPR" and resid 32 and name HG2%)
(( segid "SUPR" and resid 32 and name HB ))
2.200 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.13797E-01 ppm1 1.094 ppm2 4.629 CV 1
OR { 384}
( segid "SUPR" and resid 32 and name HG2%)
(( segid "SUPR" and resid 32 and name HA ))
ASSI { 385}
( segid "SUPR" and resid 32 and name HG2%)
(( segid "SUPR" and resid 32 and name HB ))
2.200 0.600 0.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.12967E-01 ppm1 1.094 ppm2 4.663 CV 1
ASSI { 386}
(( segid "SUPR" and resid 33 and name HA ))
(( segid "SUPR" and resid 33 and name HB1 ))
2.700 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.54007E-02 ppm1 3.753 ppm2 1.778 CV 1
ASSI { 387}
(( segid "SUPR" and resid 33 and name HA ))
(( segid "SUPR" and resid 33 and name HB2 ))
2.300 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.63635E-02 ppm1 3.754 ppm2 1.273 CV 1
ASSI { 390}
(( segid "SUPR" and resid 33 and name HB1 ))
(( segid "SUPR" and resid 33 and name HB2 ))
1.700 0.400 0.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.16697E-01 ppm1 1.789 ppm2 1.274 CV 1
ASSI { 391}
(( segid "SUPR" and resid 33 and name HB1 ))
( segid "SUPR" and resid 33 and name HE% )
2.500 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.36392E-02 ppm1 1.797 ppm2 1.477 CV 1
ASSI { 395}
(( segid "SUPR" and resid 33 and name HB2 ))
( segid "SUPR" and resid 33 and name HE% )
4.100 2.100 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.93811E-03 ppm1 1.296 ppm2 1.470 CV 1
ASSI { 399}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 34 and name HD% )
3.500 1.500 1.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.97264E-03 ppm1 1.489 ppm2 7.213 CV 1
ASSI { 400}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 34 and name HE% )
3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.72956E-03 ppm1 1.498 ppm2 7.316 CV 1
ASSI { 401}
( segid "SUPR" and resid 33 and name HE% )
(( segid "SUPR" and resid 86 and name HB1 ))
3.000 3.000 3.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.37343E-02 ppm1 1.492 ppm2 1.882 CV 1
ASSI { 402}
( segid "SUPR" and resid 33 and name HE% )
(( segid "SUPR" and resid 111 and name HB2 ))
3.900 1.900 1.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.86066E-03 ppm1 1.494 ppm2 3.202 CV 1
ASSI { 403}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 111 and name HD% )
3.200 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 1.490 ppm2 7.106 CV 1
ASSI { 404}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 111 and name HE% )
3.100 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.20913E-02 ppm1 1.491 ppm2 6.732 CV 1
ASSI { 405}
(( segid "SUPR" and resid 33 and name HG1 ))
(( segid "SUPR" and resid 33 and name HA ))
3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.17178E-02 ppm1 0.917 ppm2 3.741 CV 1
ASSI { 406}
(( segid "SUPR" and resid 33 and name HG1 ))
(( segid "SUPR" and resid 33 and name HB1 ))
3.200 1.300 1.300 peak 406 spectrum 1 weight 0.10000E+01 volume 0.22743E-02 ppm1 0.914 ppm2 1.778 CV 1
ASSI { 407}
(( segid "SUPR" and resid 33 and name HG1 ))
(( segid "SUPR" and resid 33 and name HB2 ))
2.000 0.500 0.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13762E-01 ppm1 0.909 ppm2 1.270 CV 1
ASSI { 408}
(( segid "SUPR" and resid 33 and name HG1 ))
( segid "SUPR" and resid 33 and name HE% )
4.200 2.200 1.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.69374E-03 ppm1 0.921 ppm2 1.493 CV 1
ASSI { 409}
(( segid "SUPR" and resid 33 and name HG1 ))
( segid "SUPR" and resid 111 and name HD% )
3.700 1.700 1.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.45995E-03 ppm1 0.920 ppm2 7.102 CV 1
ASSI { 410}
(( segid "SUPR" and resid 33 and name HG1 ))
( segid "SUPR" and resid 111 and name HE% )
4.200 2.200 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.54508E-03 ppm1 0.899 ppm2 6.728 CV 1
ASSI { 411}
(( segid "SUPR" and resid 33 and name HG2 ))
(( segid "SUPR" and resid 33 and name HA ))
2.900 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.33986E-02 ppm1 1.274 ppm2 3.744 CV 1
ASSI { 412}
(( segid "SUPR" and resid 33 and name HG2 ))
(( segid "SUPR" and resid 33 and name HB1 ))
2.400 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.52515E-02 ppm1 1.284 ppm2 1.778 CV 1
ASSI { 414}
(( segid "SUPR" and resid 33 and name HG2 ))
(( segid "SUPR" and resid 33 and name HG1 ))
1.900 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.97998E-02 ppm1 1.276 ppm2 0.901 CV 1
ASSI { 415}
(( segid "SUPR" and resid 33 and name HG2 ))
( segid "SUPR" and resid 34 and name HD% )
3.600 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.56198E-03 ppm1 1.274 ppm2 7.215 CV 1
ASSI { 416}
(( segid "SUPR" and resid 33 and name HG2 ))
( segid "SUPR" and resid 111 and name HD% )
3.300 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.80352E-03 ppm1 1.275 ppm2 7.106 CV 1
ASSI { 418}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 35 and name HG2%)
4.600 2.600 1.400 peak 418 spectrum 1 weight 0.10000E+01 volume 0.35379E-03 ppm1 4.979 ppm2 0.806 CV 1
ASSI { 419}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 33 and name HG1 ))
3.500 3.500 2.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.17414E-02 ppm1 4.980 ppm2 0.912 CV 1
ASSI { 421}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 34 and name HB1 ))
2.600 0.900 0.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 4.975 ppm2 2.744 CV 1
ASSI { 422}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.38829E-02 ppm1 4.979 ppm2 3.532 CV 1
ASSI { 423}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 34 and name HD% )
2.700 0.900 0.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 4.976 ppm2 7.226 CV 1
ASSI { 424}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 34 and name HE% )
4.500 2.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.88658E-03 ppm1 4.974 ppm2 7.303 CV 1
ASSI { 425}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 34 and name HZ ))
4.900 3.000 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.44702E-03 ppm1 4.968 ppm2 7.381 CV 1
ASSI { 426}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 36 and name HB1 ))
3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41535E-03 ppm1 4.980 ppm2 1.789 CV 1
ASSI { 427}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 36 and name HB2 ))
4.500 2.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.31808E-03 ppm1 4.985 ppm2 2.074 CV 1
ASSI { 428}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 109 and name HD1%)
2.600 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.31382E-02 ppm1 4.979 ppm2 1.361 CV 1
ASSI { 429}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 109 and name HD2%)
3.300 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.14183E-02 ppm1 4.981 ppm2 0.872 CV 1
ASSI { 430}
(( segid "SUPR" and resid 34 and name HA ))
(( segid "SUPR" and resid 111 and name HB1 ))
3.600 1.600 1.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.50688E-03 ppm1 4.994 ppm2 2.985 CV 1
ASSI { 431}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 111 and name HD% )
3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.64124E-03 ppm1 4.983 ppm2 7.101 CV 1
ASSI { 432}
(( segid "SUPR" and resid 34 and name HA ))
( segid "SUPR" and resid 111 and name HE% )
4.100 2.100 1.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.44677E-03 ppm1 4.974 ppm2 6.736 CV 1
ASSI { 435}
(( segid "SUPR" and resid 34 and name HB1 ))
( segid "SUPR" and resid 34 and name HD% )
3.200 1.300 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.15512E-02 ppm1 2.752 ppm2 7.225 CV 1
ASSI { 436}
(( segid "SUPR" and resid 34 and name HB1 ))
( segid "SUPR" and resid 34 and name HE% )
4.400 2.400 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.66568E-03 ppm1 2.735 ppm2 7.310 CV 1
ASSI { 438}
(( segid "SUPR" and resid 34 and name HB1 ))
(( segid "SUPR" and resid 86 and name HD2 ))
4.400 2.400 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.60344E-03 ppm1 2.730 ppm2 3.039 CV 1
ASSI { 444}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 34 and name HB1 ))
1.900 0.400 0.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.88664E-02 ppm1 3.540 ppm2 2.743 CV 1
ASSI { 445}
(( segid "SUPR" and resid 34 and name HB2 ))
( segid "SUPR" and resid 34 and name HD% )
2.900 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.14990E-02 ppm1 3.541 ppm2 7.232 CV 1
ASSI { 446}
(( segid "SUPR" and resid 34 and name HB2 ))
( segid "SUPR" and resid 34 and name HE% )
4.300 2.300 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.87564E-03 ppm1 3.545 ppm2 7.309 CV 1
ASSI { 448}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 86 and name HB2 ))
3.300 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.72363E-03 ppm1 3.543 ppm2 1.935 CV 1
ASSI { 449}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 86 and name HD2 ))
4.200 2.200 1.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.74820E-03 ppm1 3.545 ppm2 3.037 CV 1
ASSI { 451}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 86 and name HG2 ))
3.800 1.800 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.14263E-02 ppm1 3.541 ppm2 1.826 CV 1
ASSI { 452}
(( segid "SUPR" and resid 34 and name HB2 ))
( segid "SUPR" and resid 109 and name HD1%)
4.600 2.600 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.61966E-03 ppm1 3.544 ppm2 1.363 CV 1
ASSI { 459}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 35 and name HB ))
2.100 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.77876E-02 ppm1 4.426 ppm2 4.589 CV 1
ASSI { 461}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 83 and name HB1 ))
4.400 2.400 1.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.89178E-03 ppm1 4.420 ppm2 2.554 CV 1
ASSI { 462}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 83 and name HB2 ))
3.300 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.75492E-03 ppm1 4.425 ppm2 2.283 CV 1
ASSI { 463}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 83 and name HG1 ))
3.600 1.600 1.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.94538E-03 ppm1 4.412 ppm2 2.002 CV 1
ASSI { 464}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 86 and name HA ))
3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.17505E-02 ppm1 4.427 ppm2 4.077 CV 1
ASSI { 465}
(( segid "SUPR" and resid 35 and name HA ))
(( segid "SUPR" and resid 86 and name HB1 ))
4.400 2.400 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.55831E-03 ppm1 4.407 ppm2 1.871 CV 1
ASSI { 466}
(( segid "SUPR" and resid 35 and name HA ))
( segid "SUPR" and resid 89 and name HB% )
2.000 0.500 0.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10585E-01 ppm1 4.419 ppm2 1.586 CV 1
ASSI { 467}
(( segid "SUPR" and resid 35 and name HA ))
( segid "SUPR" and resid 109 and name HD2%)
3.800 1.800 1.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.70199E-03 ppm1 4.420 ppm2 0.902 CV 1
ASSI { 468}
(( segid "SUPR" and resid 35 and name HB ))
( segid "SUPR" and resid 37 and name HD1%)
4.200 2.200 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.57128E-03 ppm1 4.602 ppm2 0.717 CV 1
ASSI { 471}
(( segid "SUPR" and resid 35 and name HB ))
(( segid "SUPR" and resid 62 and name HB1 ))
4.000 2.000 2.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.47408E-03 ppm1 4.604 ppm2 1.703 CV 1
ASSI { 472}
(( segid "SUPR" and resid 35 and name HB ))
( segid "SUPR" and resid 82 and name HG2%)
3.000 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.18494E-02 ppm1 4.607 ppm2 1.162 CV 1
ASSI { 473}
(( segid "SUPR" and resid 35 and name HB ))
(( segid "SUPR" and resid 83 and name HB1 ))
4.000 2.000 2.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.10465E-02 ppm1 4.596 ppm2 2.560 CV 1
ASSI { 474}
(( segid "SUPR" and resid 35 and name HB ))
( segid "SUPR" and resid 83 and name HE% )
5.100 3.300 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.43545E-03 ppm1 4.618 ppm2 1.930 CV 1
ASSI { 475}
(( segid "SUPR" and resid 35 and name HB ))
(( segid "SUPR" and resid 83 and name HG1 ))
3.900 1.900 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.94611E-03 ppm1 4.596 ppm2 2.009 CV 1
ASSI { 476}
(( segid "SUPR" and resid 35 and name HB ))
( segid "SUPR" and resid 89 and name HB% )
3.400 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.24236E-02 ppm1 4.598 ppm2 1.586 CV 1
ASSI { 477}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 35 and name HA ))
2.200 0.600 0.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.10409E-01 ppm1 0.817 ppm2 4.407 CV 1
ASSI { 478}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 90 and name HG1 ))
4.200 2.200 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 0.812 ppm2 2.206 CV 1
OR { 478}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 90 and name HB2 ))
ASSI { 480}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.83047E-03 ppm1 0.825 ppm2 3.527 CV 1
ASSI { 481}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 35 and name HB ))
2.000 0.500 0.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.16024E-01 ppm1 0.815 ppm2 4.591 CV 1
ASSI { 482}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 83 and name HB1 ))
3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15254E-02 ppm1 0.825 ppm2 2.560 CV 1
ASSI { 483}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 83 and name HG1 ))
3.800 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14568E-02 ppm1 0.815 ppm2 1.997 CV 1
ASSI { 484}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 85 and name HB1 ))
3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13064E-02 ppm1 0.817 ppm2 2.986 CV 1
ASSI { 485}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 86 and name HA ))
2.300 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.69625E-02 ppm1 0.821 ppm2 4.077 CV 1
ASSI { 486}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 86 and name HB2 ))
3.000 1.100 1.100 peak 486 spectrum 1 weight 0.10000E+01 volume 0.24914E-02 ppm1 0.817 ppm2 1.923 CV 1
ASSI { 487}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 86 and name HG1 ))
3.400 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.29524E-02 ppm1 0.820 ppm2 1.657 CV 1
ASSI { 488}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 86 and name HG2 ))
3.400 1.500 1.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.25471E-02 ppm1 0.817 ppm2 1.841 CV 1
ASSI { 489}
( segid "SUPR" and resid 35 and name HG2%)
( segid "SUPR" and resid 89 and name HB% )
2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.59747E-02 ppm1 0.822 ppm2 1.587 CV 1
ASSI { 490}
(( segid "SUPR" and resid 36 and name HA ))
(( segid "SUPR" and resid 36 and name HG2 ))
3.400 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.11797E-02 ppm1 4.981 ppm2 1.406 CV 1
ASSI { 492}
(( segid "SUPR" and resid 36 and name HA ))
(( segid "SUPR" and resid 36 and name HB1 ))
3.200 1.300 1.300 peak 492 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 4.982 ppm2 1.795 CV 1
ASSI { 493}
(( segid "SUPR" and resid 36 and name HA ))
(( segid "SUPR" and resid 36 and name HB2 ))
3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 4.992 ppm2 2.078 CV 1
ASSI { 494}
(( segid "SUPR" and resid 36 and name HA ))
(( segid "SUPR" and resid 82 and name HA ))
2.300 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.61397E-02 ppm1 4.984 ppm2 5.233 CV 1
ASSI { 495}
(( segid "SUPR" and resid 36 and name HA ))
( segid "SUPR" and resid 82 and name HG2%)
3.200 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.13680E-02 ppm1 4.974 ppm2 1.162 CV 1
ASSI { 496}
(( segid "SUPR" and resid 36 and name HB1 ))
(( segid "SUPR" and resid 36 and name HB2 ))
2.100 0.500 0.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.47225E-02 ppm1 1.802 ppm2 2.072 CV 1
ASSI { 497}
(( segid "SUPR" and resid 36 and name HB2 ))
(( segid "SUPR" and resid 36 and name HG2 ))
3.400 1.500 1.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 2.078 ppm2 1.408 CV 1
ASSI { 498}
(( segid "SUPR" and resid 36 and name HB2 ))
(( segid "SUPR" and resid 36 and name HG1 ))
3.200 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.99660E-03 ppm1 2.102 ppm2 0.961 CV 1
ASSI { 500}
(( segid "SUPR" and resid 36 and name HB2 ))
(( segid "SUPR" and resid 36 and name HD1 ))
2.900 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 2.090 ppm2 1.534 CV 1
ASSI { 501}
(( segid "SUPR" and resid 36 and name HB2 ))
(( segid "SUPR" and resid 36 and name HD2 ))
3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.23110E-02 ppm1 2.073 ppm2 1.638 CV 1
ASSI { 502}
(( segid "SUPR" and resid 36 and name HD1 ))
(( segid "SUPR" and resid 36 and name HB1 ))
3.200 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.16120E-02 ppm1 1.551 ppm2 1.791 CV 1
ASSI { 504}
(( segid "SUPR" and resid 36 and name HD1 ))
(( segid "SUPR" and resid 36 and name HE1 ))
3.100 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 1.551 ppm2 2.824 CV 1
ASSI { 507}
(( segid "SUPR" and resid 36 and name HD2 ))
(( segid "SUPR" and resid 36 and name HE1 ))
2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20423E-02 ppm1 1.641 ppm2 2.811 CV 1
ASSI { 510}
(( segid "SUPR" and resid 36 and name HE1 ))
(( segid "SUPR" and resid 36 and name HE2 ))
1.800 0.400 0.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.10616E-01 ppm1 2.829 ppm2 2.357 CV 1
ASSI { 511}
(( segid "SUPR" and resid 36 and name HE1 ))
(( segid "SUPR" and resid 36 and name HG1 ))
3.800 1.800 1.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.76177E-03 ppm1 2.822 ppm2 0.994 CV 1
ASSI { 513}
(( segid "SUPR" and resid 36 and name HE2 ))
(( segid "SUPR" and resid 36 and name HD1 ))
3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 2.371 ppm2 1.539 CV 1
ASSI { 514}
(( segid "SUPR" and resid 36 and name HE2 ))
(( segid "SUPR" and resid 36 and name HD2 ))
2.900 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.26915E-02 ppm1 2.371 ppm2 1.649 CV 1
ASSI { 519}
(( segid "SUPR" and resid 36 and name HG1 ))
(( segid "SUPR" and resid 36 and name HE2 ))
3.600 1.600 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.68353E-03 ppm1 0.995 ppm2 2.356 CV 1
ASSI { 520}
(( segid "SUPR" and resid 37 and name HA ))
(( segid "SUPR" and resid 37 and name HB ))
3.000 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 4.219 ppm2 1.890 CV 1
ASSI { 521}
(( segid "SUPR" and resid 37 and name HA ))
(( segid "SUPR" and resid 37 and name HG11))
2.900 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 4.219 ppm2 1.704 CV 1
ASSI { 522}
(( segid "SUPR" and resid 37 and name HA ))
(( segid "SUPR" and resid 37 and name HG12))
3.100 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.18479E-02 ppm1 4.212 ppm2 0.562 CV 1
ASSI { 523}
(( segid "SUPR" and resid 37 and name HA ))
( segid "SUPR" and resid 37 and name HG2%)
2.500 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.43278E-02 ppm1 4.222 ppm2 0.681 CV 1
ASSI { 524}
(( segid "SUPR" and resid 37 and name HA ))
(( segid "SUPR" and resid 38 and name HB1 ))
4.800 2.900 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.52139E-03 ppm1 4.214 ppm2 2.685 CV 1
ASSI { 525}
(( segid "SUPR" and resid 37 and name HA ))
(( segid "SUPR" and resid 38 and name HB2 ))
4.600 2.600 1.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.67742E-03 ppm1 4.237 ppm2 2.823 CV 1
ASSI { 529}
(( segid "SUPR" and resid 37 and name HA ))
( segid "SUPR" and resid 110 and name HB% )
3.600 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.77882E-03 ppm1 4.223 ppm2 1.673 CV 1
ASSI { 533}
(( segid "SUPR" and resid 37 and name HB ))
( segid "SUPR" and resid 81 and name HG1%)
3.500 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 1.903 ppm2 0.548 CV 1
ASSI { 536}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 37 and name HA ))
3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 0.723 ppm2 4.217 CV 1
ASSI { 537}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 37 and name HB ))
2.400 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.46701E-02 ppm1 0.724 ppm2 1.887 CV 1
ASSI { 538}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 37 and name HG11))
2.200 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.80144E-02 ppm1 0.726 ppm2 1.713 CV 1
ASSI { 539}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 55 and name HB1 ))
3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.60632E-03 ppm1 0.719 ppm2 2.888 CV 1
ASSI { 540}
( segid "SUPR" and resid 37 and name HD1%)
( segid "SUPR" and resid 55 and name HD% )
3.300 1.300 1.300 peak 540 spectrum 1 weight 0.10000E+01 volume 0.98609E-03 ppm1 0.716 ppm2 7.762 CV 1
ASSI { 541}
( segid "SUPR" and resid 37 and name HD1%)
( segid "SUPR" and resid 55 and name HE% )
3.200 1.300 1.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.13610E-02 ppm1 0.720 ppm2 7.286 CV 1
ASSI { 542}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 81 and name HB ))
3.000 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.24516E-02 ppm1 0.726 ppm2 1.105 CV 1
ASSI { 544}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 83 and name HB2 ))
3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.27898E-02 ppm1 0.721 ppm2 2.262 CV 1
ASSI { 545}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 83 and name HG1 ))
3.100 1.200 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 0.731 ppm2 2.003 CV 1
ASSI { 546}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 89 and name HA ))
2.300 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.66086E-02 ppm1 0.724 ppm2 4.106 CV 1
ASSI { 547}
( segid "SUPR" and resid 37 and name HD1%)
( segid "SUPR" and resid 89 and name HB% )
2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.61776E-02 ppm1 0.726 ppm2 1.588 CV 1
ASSI { 548}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 92 and name HA ))
4.000 2.000 2.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 0.722 ppm2 1.956 CV 1
ASSI { 549}
( segid "SUPR" and resid 37 and name HD1%)
( segid "SUPR" and resid 92 and name HB% )
2.200 0.600 0.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.10961E-01 ppm1 0.731 ppm2 1.415 CV 1
ASSI { 552}
(( segid "SUPR" and resid 37 and name HG11))
(( segid "SUPR" and resid 81 and name HB ))
4.500 2.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.49045E-03 ppm1 1.701 ppm2 1.102 CV 1
ASSI { 554}
(( segid "SUPR" and resid 37 and name HG11))
(( segid "SUPR" and resid 37 and name HG12))
2.000 0.500 0.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.54629E-02 ppm1 1.729 ppm2 0.553 CV 1
ASSI { 555}
(( segid "SUPR" and resid 37 and name HG11))
( segid "SUPR" and resid 37 and name HG2%)
2.900 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.43255E-02 ppm1 1.721 ppm2 0.693 CV 1
ASSI { 556}
(( segid "SUPR" and resid 37 and name HG11))
(( segid "SUPR" and resid 89 and name HA ))
3.600 1.700 1.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 1.713 ppm2 4.094 CV 1
ASSI { 557}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 109 and name HD2%)
3.300 1.400 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 0.565 ppm2 0.910 CV 1
ASSI { 560}
(( segid "SUPR" and resid 37 and name HG12))
(( segid "SUPR" and resid 81 and name HB ))
4.400 2.400 1.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.55543E-03 ppm1 0.582 ppm2 1.095 CV 1
ASSI { 563}
(( segid "SUPR" and resid 37 and name HG12))
(( segid "SUPR" and resid 37 and name HB ))
3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.14309E-02 ppm1 0.561 ppm2 1.887 CV 1
ASSI { 565}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 37 and name HG2%)
2.200 0.600 0.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.66984E-02 ppm1 0.568 ppm2 0.693 CV 1
ASSI { 569}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 37 and name HB ))
2.200 0.600 0.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.70627E-02 ppm1 0.690 ppm2 1.889 CV 1
ASSI { 572}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 55 and name HZ ))
4.000 2.000 2.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.75107E-03 ppm1 0.673 ppm2 7.159 CV 1
ASSI { 573}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 80 and name HA ))
4.100 2.100 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.57488E-03 ppm1 0.673 ppm2 5.543 CV 1
ASSI { 576}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 83 and name HG1 ))
3.600 3.600 2.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.25488E-02 ppm1 0.690 ppm2 2.007 CV 1
ASSI { 579}
( segid "SUPR" and resid 37 and name HG2%)
( segid "SUPR" and resid 107 and name HG1%)
2.400 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.56715E-02 ppm1 0.696 ppm2 1.058 CV 1
ASSI { 580}
( segid "SUPR" and resid 37 and name HG2%)
( segid "SUPR" and resid 107 and name HG2%)
2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.66666E-02 ppm1 0.691 ppm2 1.021 CV 1
ASSI { 581}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 108 and name HA ))
3.400 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13345E-02 ppm1 0.693 ppm2 4.941 CV 1
ASSI { 582}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 108 and name HB1 ))
4.400 2.400 1.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.44078E-03 ppm1 0.707 ppm2 3.019 CV 1
ASSI { 583}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 108 and name HB2 ))
3.800 1.800 1.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.95742E-03 ppm1 0.694 ppm2 2.826 CV 1
ASSI { 585}
(( segid "SUPR" and resid 38 and name HA ))
(( segid "SUPR" and resid 38 and name HB1 ))
3.300 1.300 1.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 4.619 ppm2 2.678 CV 1
ASSI { 586}
(( segid "SUPR" and resid 38 and name HA ))
(( segid "SUPR" and resid 38 and name HB2 ))
2.800 1.000 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.14205E-02 ppm1 4.621 ppm2 2.828 CV 1
ASSI { 587}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 38 and name HD% )
3.100 1.200 1.200 peak 587 spectrum 1 weight 0.10000E+01 volume 0.13090E-02 ppm1 4.618 ppm2 6.722 CV 1
ASSI { 588}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 38 and name HE% )
4.200 2.200 1.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.84172E-03 ppm1 4.613 ppm2 6.638 CV 1
ASSI { 589}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 39 and name HG1%)
4.800 2.900 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.55568E-03 ppm1 4.620 ppm2 0.670 CV 1
ASSI { 590}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 39 and name HG2%)
4.500 2.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.34647E-03 ppm1 4.615 ppm2 0.565 CV 1
ASSI { 592}
(( segid "SUPR" and resid 38 and name HA ))
(( segid "SUPR" and resid 80 and name HB2 ))
5.200 3.400 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.35966E-03 ppm1 4.611 ppm2 2.195 CV 1
ASSI { 593}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 80 and name HD% )
3.200 1.300 1.300 peak 593 spectrum 1 weight 0.10000E+01 volume 0.75199E-03 ppm1 4.614 ppm2 6.585 CV 1
ASSI { 594}
(( segid "SUPR" and resid 38 and name HA ))
(( segid "SUPR" and resid 110 and name HA ))
4.300 2.300 1.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.72503E-03 ppm1 4.615 ppm2 4.136 CV 1
ASSI { 595}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 110 and name HB% )
3.600 1.700 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.74954E-03 ppm1 4.612 ppm2 1.659 CV 1
ASSI { 596}
(( segid "SUPR" and resid 38 and name HB1 ))
( segid "SUPR" and resid 38 and name HD% )
3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.12767E-02 ppm1 2.699 ppm2 6.718 CV 1
ASSI { 597}
(( segid "SUPR" and resid 38 and name HB1 ))
( segid "SUPR" and resid 38 and name HE% )
4.800 2.900 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.44627E-03 ppm1 2.711 ppm2 6.623 CV 1
ASSI { 599}
(( segid "SUPR" and resid 38 and name HB1 ))
( segid "SUPR" and resid 80 and name HE% )
5.200 3.400 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.45511E-03 ppm1 2.715 ppm2 7.220 CV 1
ASSI { 600}
(( segid "SUPR" and resid 38 and name HB1 ))
(( segid "SUPR" and resid 80 and name HZ ))
5.500 3.800 0.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.46080E-03 ppm1 2.701 ppm2 7.272 CV 1
ASSI { 602}
(( segid "SUPR" and resid 38 and name HB2 ))
( segid "SUPR" and resid 38 and name HD% )
3.100 1.200 1.200 peak 602 spectrum 1 weight 0.10000E+01 volume 0.15704E-02 ppm1 2.832 ppm2 6.712 CV 1
ASSI { 603}
(( segid "SUPR" and resid 38 and name HB2 ))
( segid "SUPR" and resid 38 and name HE% )
4.400 2.400 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.66403E-03 ppm1 2.815 ppm2 6.626 CV 1
ASSI { 604}
(( segid "SUPR" and resid 38 and name HB2 ))
( segid "SUPR" and resid 80 and name HE% )
3.200 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.67100E-03 ppm1 2.817 ppm2 7.226 CV 1
ASSI { 608}
( segid "SUPR" and resid 38 and name HD% )
( segid "SUPR" and resid 38 and name HE% )
2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.21041E-02 ppm1 6.706 ppm2 6.586 CV 1
ASSI { 610}
(( segid "SUPR" and resid 39 and name HA ))
(( segid "SUPR" and resid 39 and name HB ))
3.000 1.100 1.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.17513E-02 ppm1 4.335 ppm2 1.444 CV 1
ASSI { 613}
(( segid "SUPR" and resid 39 and name HA ))
(( segid "SUPR" and resid 107 and name HA ))
2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.32888E-02 ppm1 4.334 ppm2 5.215 CV 1
ASSI { 618}
( segid "SUPR" and resid 39 and name HG1%)
(( segid "SUPR" and resid 39 and name HA ))
2.400 0.700 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.55743E-02 ppm1 0.664 ppm2 4.329 CV 1
ASSI { 619}
( segid "SUPR" and resid 39 and name HG1%)
(( segid "SUPR" and resid 39 and name HB ))
2.100 0.600 0.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.92283E-02 ppm1 0.670 ppm2 1.443 CV 1
ASSI { 620}
( segid "SUPR" and resid 39 and name HG1%)
( segid "SUPR" and resid 42 and name HD1%)
2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.46793E-02 ppm1 0.666 ppm2 0.426 CV 1
ASSI { 621}
( segid "SUPR" and resid 39 and name HG1%)
( segid "SUPR" and resid 55 and name HE% )
3.300 1.400 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 0.661 ppm2 7.284 CV 1
ASSI { 622}
( segid "SUPR" and resid 39 and name HG1%)
(( segid "SUPR" and resid 55 and name HZ ))
3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.96592E-03 ppm1 0.662 ppm2 7.150 CV 1
ASSI { 623}
( segid "SUPR" and resid 39 and name HG1%)
(( segid "SUPR" and resid 81 and name HB ))
3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.22932E-02 ppm1 0.670 ppm2 1.109 CV 1
ASSI { 624}
( segid "SUPR" and resid 39 and name HG1%)
( segid "SUPR" and resid 81 and name HG2%)
3.000 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.40580E-02 ppm1 0.657 ppm2 0.262 CV 1
ASSI { 626}
( segid "SUPR" and resid 39 and name HG1%)
( segid "SUPR" and resid 105 and name HB% )
2.600 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.33155E-02 ppm1 0.653 ppm2 1.275 CV 1
ASSI { 627}
( segid "SUPR" and resid 39 and name HG1%)
(( segid "SUPR" and resid 107 and name HA ))
3.300 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.18983E-02 ppm1 0.658 ppm2 5.216 CV 1
ASSI { 628}
( segid "SUPR" and resid 39 and name HG1%)
( segid "SUPR" and resid 107 and name HG2%)
2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.45788E-02 ppm1 0.662 ppm2 1.012 CV 1
ASSI { 630}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 39 and name HA ))
2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.41385E-02 ppm1 0.582 ppm2 4.327 CV 1
ASSI { 631}
( segid "SUPR" and resid 39 and name HG2%)
( segid "SUPR" and resid 55 and name HE% )
2.900 1.100 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.20538E-02 ppm1 0.579 ppm2 7.285 CV 1
ASSI { 632}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 55 and name HZ ))
2.800 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.20646E-02 ppm1 0.588 ppm2 7.166 CV 1
ASSI { 633}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 80 and name HA ))
3.100 1.200 1.200 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15350E-02 ppm1 0.581 ppm2 5.538 CV 1
ASSI { 635}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 107 and name HA ))
3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.17671E-02 ppm1 0.562 ppm2 5.210 CV 1
ASSI { 637}
(( segid "SUPR" and resid 40 and name HA1 ))
( segid "SUPR" and resid 38 and name HE% )
3.800 1.800 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.43547E-03 ppm1 3.582 ppm2 6.591 CV 1
ASSI { 638}
(( segid "SUPR" and resid 40 and name HA1 ))
(( segid "SUPR" and resid 40 and name HA2 ))
2.400 0.700 0.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 3.620 ppm2 4.090 CV 1
ASSI { 639}
(( segid "SUPR" and resid 40 and name HA1 ))
(( segid "SUPR" and resid 78 and name HB1 ))
4.200 2.300 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.45826E-03 ppm1 3.602 ppm2 2.534 CV 1
ASSI { 640}
(( segid "SUPR" and resid 40 and name HA2 ))
( segid "SUPR" and resid 38 and name HE% )
4.200 2.200 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.42315E-03 ppm1 4.125 ppm2 6.607 CV 1
ASSI { 642}
(( segid "SUPR" and resid 40 and name HA2 ))
(( segid "SUPR" and resid 78 and name HB2 ))
4.900 3.000 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.56423E-03 ppm1 4.075 ppm2 2.161 CV 1
ASSI { 643}
(( segid "SUPR" and resid 41 and name HA1 ))
(( segid "SUPR" and resid 41 and name HA2 ))
2.100 0.500 0.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.61477E-02 ppm1 3.769 ppm2 3.952 CV 1
ASSI { 646}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 43 and name HD1 ))
2.400 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.35667E-02 ppm1 4.276 ppm2 3.806 CV 1
OR { 646}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 43 and name HD2 ))
ASSI { 647}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 41 and name HA1 ))
2.800 2.800 3.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.31838E-02 ppm1 4.276 ppm2 3.775 CV 1
ASSI { 648}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 42 and name HB1 ))
2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 4.277 ppm2 1.103 CV 1
ASSI { 649}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 42 and name HB2 ))
3.300 1.400 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10814E-02 ppm1 4.275 ppm2 0.913 CV 1
ASSI { 652}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 42 and name HG ))
3.200 1.300 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 4.273 ppm2 1.230 CV 1
ASSI { 653}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 43 and name HB2 ))
4.400 2.400 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.75229E-03 ppm1 4.290 ppm2 1.592 CV 1
ASSI { 654}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 43 and name HG1 ))
4.800 2.800 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.62094E-03 ppm1 4.254 ppm2 2.183 CV 1
ASSI { 655}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 43 and name HG2 ))
4.600 2.700 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.76446E-03 ppm1 4.283 ppm2 1.797 CV 1
ASSI { 656}
(( segid "SUPR" and resid 42 and name HA ))
(( segid "SUPR" and resid 46 and name HB ))
4.600 2.600 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.49101E-03 ppm1 4.273 ppm2 3.667 CV 1
ASSI { 657}
(( segid "SUPR" and resid 42 and name HA ))
( segid "SUPR" and resid 105 and name HB% )
3.200 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 4.273 ppm2 1.269 CV 1
ASSI { 660}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 42 and name HB2 ))
2.000 0.500 0.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.36739E-02 ppm1 1.102 ppm2 0.909 CV 1
ASSI { 663}
(( segid "SUPR" and resid 42 and name HB1 ))
( segid "SUPR" and resid 42 and name HD2%)
3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13773E-02 ppm1 1.103 ppm2 0.640 CV 1
ASSI { 665}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 42 and name HG ))
2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.24844E-02 ppm1 1.107 ppm2 1.220 CV 1
ASSI { 666}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 43 and name HD2 ))
3.200 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.78707E-03 ppm1 1.103 ppm2 3.771 CV 1
ASSI { 671}
(( segid "SUPR" and resid 42 and name HB2 ))
( segid "SUPR" and resid 42 and name HD2%)
3.200 1.300 1.300 peak 671 spectrum 1 weight 0.10000E+01 volume 0.90290E-03 ppm1 0.926 ppm2 0.586 CV 1
ASSI { 673}
(( segid "SUPR" and resid 42 and name HB2 ))
(( segid "SUPR" and resid 42 and name HG ))
2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.25975E-02 ppm1 0.917 ppm2 1.219 CV 1
ASSI { 674}
(( segid "SUPR" and resid 42 and name HB2 ))
(( segid "SUPR" and resid 43 and name HD2 ))
4.400 2.500 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.61129E-03 ppm1 0.928 ppm2 3.777 CV 1
ASSI { 676}
(( segid "SUPR" and resid 42 and name HB2 ))
(( segid "SUPR" and resid 77 and name HA1 ))
4.300 2.300 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.54254E-03 ppm1 0.918 ppm2 3.067 CV 1
ASSI { 677}
(( segid "SUPR" and resid 42 and name HB2 ))
(( segid "SUPR" and resid 77 and name HA2 ))
3.100 1.200 1.200 peak 677 spectrum 1 weight 0.10000E+01 volume 0.65334E-03 ppm1 0.923 ppm2 4.103 CV 1
ASSI { 680}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 39 and name HB ))
3.300 1.400 1.400 peak 680 spectrum 1 weight 0.10000E+01 volume 0.15627E-02 ppm1 0.439 ppm2 1.447 CV 1
ASSI { 681}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 42 and name HA ))
3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.12355E-02 ppm1 0.435 ppm2 4.261 CV 1
ASSI { 682}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 42 and name HB1 ))
2.500 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.60139E-02 ppm1 0.435 ppm2 1.105 CV 1
ASSI { 683}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 42 and name HB2 ))
2.500 0.800 0.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.61758E-02 ppm1 0.434 ppm2 0.909 CV 1
ASSI { 684}
( segid "SUPR" and resid 42 and name HD1%)
( segid "SUPR" and resid 42 and name HD2%)
2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.66770E-02 ppm1 0.437 ppm2 0.638 CV 1
ASSI { 685}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 42 and name HG ))
2.400 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50411E-02 ppm1 0.435 ppm2 1.220 CV 1
ASSI { 686}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 43 and name HD1 ))
3.800 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 0.433 ppm2 3.757 CV 1
ASSI { 687}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 43 and name HD2 ))
3.600 1.600 1.600 peak 687 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 0.448 ppm2 3.779 CV 1
ASSI { 688}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 46 and name HB ))
3.800 1.800 1.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18813E-02 ppm1 0.433 ppm2 3.672 CV 1
ASSI { 689}
( segid "SUPR" and resid 42 and name HD1%)
( segid "SUPR" and resid 46 and name HG2%)
3.000 1.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.26425E-02 ppm1 0.434 ppm2 1.153 CV 1
ASSI { 691}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 78 and name HA ))
2.800 1.000 1.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.32886E-02 ppm1 0.421 ppm2 4.916 CV 1
ASSI { 692}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 42 and name HA ))
2.600 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.70615E-02 ppm1 0.628 ppm2 4.266 CV 1
ASSI { 693}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 43 and name HD1 ))
3.200 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.58768E-02 ppm1 0.610 ppm2 3.747 CV 1
ASSI { 694}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 43 and name HD2 ))
3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.23183E-02 ppm1 0.614 ppm2 3.805 CV 1
ASSI { 695}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 46 and name HA ))
3.500 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.37744E-02 ppm1 0.588 ppm2 4.055 CV 1
ASSI { 696}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 46 and name HB ))
3.800 1.800 1.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 0.623 ppm2 3.672 CV 1
ASSI { 698}
(( segid "SUPR" and resid 42 and name HG ))
( segid "SUPR" and resid 39 and name HG2%)
3.700 1.700 1.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 1.234 ppm2 0.590 CV 1
ASSI { 704}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 42 and name HB1 ))
3.300 1.400 1.400 peak 704 spectrum 1 weight 0.10000E+01 volume 0.90565E-03 ppm1 3.796 ppm2 1.104 CV 1
OR { 704}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 42 and name HB1 ))
ASSI { 705}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 42 and name HB2 ))
4.500 2.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.69521E-03 ppm1 3.792 ppm2 0.912 CV 1
OR { 705}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 42 and name HB2 ))
ASSI { 706}
(( segid "SUPR" and resid 43 and name HD2 ))
( segid "SUPR" and resid 42 and name HD1%)
4.400 2.500 1.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.48107E-03 ppm1 3.801 ppm2 0.433 CV 1
OR { 706}
(( segid "SUPR" and resid 43 and name HD1 ))
( segid "SUPR" and resid 42 and name HD1%)
ASSI { 707}
(( segid "SUPR" and resid 43 and name HD2 ))
( segid "SUPR" and resid 42 and name HD2%)
3.900 1.900 1.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 3.784 ppm2 0.632 CV 1
OR { 707}
(( segid "SUPR" and resid 43 and name HD1 ))
( segid "SUPR" and resid 42 and name HD2%)
ASSI { 708}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 43 and name HB2 ))
3.100 1.200 1.200 peak 708 spectrum 1 weight 0.10000E+01 volume 0.20736E-02 ppm1 3.795 ppm2 1.605 CV 1
OR { 708}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 43 and name HB2 ))
ASSI { 709}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 43 and name HG1 ))
2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 3.799 ppm2 2.184 CV 1
OR { 709}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 43 and name HG1 ))
ASSI { 710}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 100 and name HB ))
3.500 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.55288E-03 ppm1 3.805 ppm2 1.285 CV 1
OR { 710}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 100 and name HB ))
ASSI { 711}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 101 and name HB2 ))
4.600 2.700 1.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.47494E-03 ppm1 3.801 ppm2 3.013 CV 1
OR { 711}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 101 and name HB2 ))
ASSI { 712}
(( segid "SUPR" and resid 43 and name HD1 ))
(( segid "SUPR" and resid 103 and name HB1 ))
3.500 1.600 1.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.66324E-03 ppm1 3.792 ppm2 1.500 CV 1
OR { 712}
(( segid "SUPR" and resid 43 and name HD2 ))
(( segid "SUPR" and resid 103 and name HB1 ))
ASSI { 714}
(( segid "SUPR" and resid 56 and name HB2 ))
(( segid "SUPR" and resid 56 and name HA ))
2.600 0.800 0.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.33704E-02 ppm1 2.149 ppm2 4.422 CV 1
ASSI { 717}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 43 and name HB1 ))
2.000 0.500 0.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.82558E-02 ppm1 2.176 ppm2 2.058 CV 1
ASSI { 718}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 43 and name HB2 ))
3.000 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.27114E-02 ppm1 2.195 ppm2 1.605 CV 1
ASSI { 719}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 43 and name HD1 ))
2.700 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 2.174 ppm2 3.771 CV 1
ASSI { 720}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 43 and name HD2 ))
3.400 1.500 1.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 2.185 ppm2 3.811 CV 1
ASSI { 721}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 43 and name HG2 ))
1.900 0.400 0.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.54618E-02 ppm1 2.186 ppm2 1.803 CV 1
ASSI { 722}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 101 and name HB2 ))
4.600 2.600 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 2.192 ppm2 3.012 CV 1
ASSI { 725}
(( segid "SUPR" and resid 43 and name HG2 ))
(( segid "SUPR" and resid 43 and name HB2 ))
2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.57819E-02 ppm1 1.831 ppm2 1.599 CV 1
ASSI { 726}
(( segid "SUPR" and resid 43 and name HG2 ))
(( segid "SUPR" and resid 43 and name HD1 ))
3.200 1.300 1.300 peak 726 spectrum 1 weight 0.10000E+01 volume 0.13592E-02 ppm1 1.806 ppm2 3.765 CV 1
ASSI { 727}
(( segid "SUPR" and resid 43 and name HG2 ))
(( segid "SUPR" and resid 43 and name HD2 ))
2.600 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 1.816 ppm2 3.818 CV 1
ASSI { 729}
(( segid "SUPR" and resid 43 and name HG2 ))
(( segid "SUPR" and resid 101 and name HB2 ))
3.200 1.300 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.38149E-02 ppm1 1.796 ppm2 3.011 CV 1
ASSI { 731}
(( segid "SUPR" and resid 44 and name HA ))
(( segid "SUPR" and resid 44 and name HB1 ))
3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 4.118 ppm2 2.769 CV 1
ASSI { 732}
(( segid "SUPR" and resid 44 and name HA ))
(( segid "SUPR" and resid 44 and name HB2 ))
3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.25778E-02 ppm1 4.118 ppm2 3.270 CV 1
ASSI { 734}
(( segid "SUPR" and resid 44 and name HA ))
( segid "SUPR" and resid 44 and name HE% )
4.600 2.700 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.67143E-03 ppm1 4.120 ppm2 5.953 CV 1
ASSI { 735}
(( segid "SUPR" and resid 44 and name HA ))
(( segid "SUPR" and resid 77 and name HA1 ))
4.000 2.000 2.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.54552E-03 ppm1 4.132 ppm2 3.070 CV 1
ASSI { 737}
(( segid "SUPR" and resid 44 and name HB1 ))
(( segid "SUPR" and resid 44 and name HB2 ))
2.200 0.600 0.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.46021E-02 ppm1 2.775 ppm2 3.269 CV 1
ASSI { 739}
(( segid "SUPR" and resid 44 and name HB1 ))
( segid "SUPR" and resid 44 and name HE% )
4.800 2.900 1.200 peak 739 spectrum 1 weight 0.10000E+01 volume 0.44625E-03 ppm1 2.791 ppm2 5.954 CV 1
ASSI { 743}
( segid "SUPR" and resid 44 and name HD% )
(( segid "SUPR" and resid 44 and name HA ))
2.700 0.900 0.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.27212E-02 ppm1 6.786 ppm2 4.105 CV 1
ASSI { 744}
( segid "SUPR" and resid 44 and name HD% )
(( segid "SUPR" and resid 44 and name HB1 ))
3.300 1.300 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 6.774 ppm2 2.775 CV 1
ASSI { 745}
( segid "SUPR" and resid 44 and name HD% )
(( segid "SUPR" and resid 44 and name HB2 ))
2.900 1.000 1.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.17598E-02 ppm1 6.786 ppm2 3.277 CV 1
ASSI { 746}
( segid "SUPR" and resid 44 and name HD% )
( segid "SUPR" and resid 44 and name HE% )
2.500 0.800 0.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.51699E-02 ppm1 6.782 ppm2 5.950 CV 1
ASSI { 749}
( segid "SUPR" and resid 44 and name HE% )
(( segid "RNA1" and resid 2 and name H8 ))
4.200 2.200 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.29149E-03 ppm1 5.941 ppm2 8.207 CV 1
ASSI { 752}
(( segid "SUPR" and resid 45 and name HA ))
(( segid "SUPR" and resid 45 and name HB1 ))
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.48213E-02 ppm1 4.826 ppm2 3.056 CV 1
ASSI { 753}
(( segid "SUPR" and resid 45 and name HA ))
(( segid "SUPR" and resid 45 and name HB2 ))
2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.30598E-02 ppm1 4.830 ppm2 3.437 CV 1
ASSI { 754}
(( segid "SUPR" and resid 45 and name HB1 ))
(( segid "SUPR" and resid 45 and name HB2 ))
2.000 0.500 0.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.74435E-02 ppm1 3.058 ppm2 3.432 CV 1
ASSI { 757}
(( segid "SUPR" and resid 45 and name HB2 ))
(( segid "SUPR" and resid 45 and name HD2 ))
3.800 1.800 1.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.83481E-03 ppm1 3.450 ppm2 7.111 CV 1
ASSI { 758}
(( segid "SUPR" and resid 45 and name HD2 ))
(( segid "SUPR" and resid 45 and name HB1 ))
3.500 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.71721E-03 ppm1 7.115 ppm2 3.062 CV 1
ASSI { 761}
(( segid "SUPR" and resid 46 and name HA ))
(( segid "SUPR" and resid 45 and name HD2 ))
3.400 1.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.80804E-03 ppm1 4.039 ppm2 7.108 CV 1
ASSI { 762}
(( segid "SUPR" and resid 46 and name HA ))
(( segid "SUPR" and resid 42 and name HB1 ))
3.400 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.34357E-02 ppm1 4.037 ppm2 1.108 CV 1
ASSI { 763}
(( segid "SUPR" and resid 46 and name HA ))
(( segid "SUPR" and resid 42 and name HG ))
5.000 3.100 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.59872E-03 ppm1 4.044 ppm2 1.236 CV 1
ASSI { 764}
(( segid "SUPR" and resid 46 and name HA ))
(( segid "SUPR" and resid 46 and name HB ))
2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.27858E-02 ppm1 4.028 ppm2 3.676 CV 1
ASSI { 766}
(( segid "SUPR" and resid 46 and name HA ))
(( segid "SUPR" and resid 50 and name HB ))
3.500 1.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 4.029 ppm2 4.438 CV 1
ASSI { 768}
(( segid "SUPR" and resid 46 and name HB ))
(( segid "SUPR" and resid 42 and name HB1 ))
2.000 0.500 0.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.62663E-02 ppm1 3.682 ppm2 1.107 CV 1
ASSI { 769}
(( segid "SUPR" and resid 46 and name HB ))
(( segid "SUPR" and resid 42 and name HB2 ))
4.300 2.300 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 3.686 ppm2 0.912 CV 1
ASSI { 772}
(( segid "SUPR" and resid 46 and name HB ))
(( segid "SUPR" and resid 42 and name HG ))
4.200 2.200 1.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.82955E-03 ppm1 3.683 ppm2 1.228 CV 1
ASSI { 773}
(( segid "SUPR" and resid 46 and name HB ))
(( segid "SUPR" and resid 43 and name HG1 ))
4.700 2.800 1.300 peak 773 spectrum 1 weight 0.10000E+01 volume 0.55922E-03 ppm1 3.683 ppm2 2.174 CV 1
ASSI { 776}
(( segid "SUPR" and resid 46 and name HB ))
( segid "SUPR" and resid 66 and name HG2%)
3.400 1.500 1.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.98584E-03 ppm1 3.680 ppm2 0.580 CV 1
ASSI { 779}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 43 and name HD1 ))
4.200 2.300 1.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 1.149 ppm2 3.764 CV 1
ASSI { 780}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 43 and name HG2 ))
3.900 1.900 1.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.80382E-03 ppm1 1.149 ppm2 1.812 CV 1
ASSI { 781}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 46 and name HA ))
2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.89893E-02 ppm1 1.136 ppm2 4.027 CV 1
ASSI { 782}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 46 and name HB ))
2.000 0.500 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.14281E-01 ppm1 1.140 ppm2 3.673 CV 1
ASSI { 783}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 50 and name HB ))
2.200 0.600 0.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.64863E-02 ppm1 1.140 ppm2 4.439 CV 1
ASSI { 784}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 101 and name HB1 ))
3.600 1.600 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 1.144 ppm2 2.200 CV 1
ASSI { 785}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 101 and name HB2 ))
3.500 1.500 1.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 1.144 ppm2 3.014 CV 1
ASSI { 786}
(( segid "SUPR" and resid 47 and name HA ))
(( segid "SUPR" and resid 47 and name HB1 ))
2.200 0.600 0.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.87815E-02 ppm1 4.821 ppm2 3.997 CV 1
ASSI { 787}
(( segid "SUPR" and resid 47 and name HA ))
(( segid "SUPR" and resid 47 and name HB2 ))
2.200 0.600 0.600 peak 787 spectrum 1 weight 0.10000E+01 volume 0.10317E-01 ppm1 4.831 ppm2 4.425 CV 1
ASSI { 788}
(( segid "SUPR" and resid 47 and name HA ))
(( segid "SUPR" and resid 66 and name HB ))
4.000 2.000 2.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.52874E-03 ppm1 4.822 ppm2 1.832 CV 1
ASSI { 789}
(( segid "SUPR" and resid 47 and name HA ))
( segid "SUPR" and resid 66 and name HG1%)
3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.53898E-03 ppm1 4.823 ppm2 0.695 CV 1
ASSI { 790}
(( segid "SUPR" and resid 47 and name HA ))
( segid "SUPR" and resid 66 and name HG2%)
3.000 1.100 1.100 peak 790 spectrum 1 weight 0.10000E+01 volume 0.15895E-02 ppm1 4.831 ppm2 0.572 CV 1
ASSI { 791}
(( segid "SUPR" and resid 47 and name HB1 ))
(( segid "SUPR" and resid 47 and name HB2 ))
1.700 0.400 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.13998E-01 ppm1 4.002 ppm2 4.426 CV 1
ASSI { 793}
(( segid "SUPR" and resid 48 and name HA ))
(( segid "SUPR" and resid 48 and name HB1 ))
2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.54985E-02 ppm1 4.062 ppm2 2.973 CV 1
ASSI { 794}
(( segid "SUPR" and resid 48 and name HA ))
(( segid "SUPR" and resid 48 and name HB2 ))
2.900 1.100 1.100 peak 794 spectrum 1 weight 0.10000E+01 volume 0.41470E-02 ppm1 4.060 ppm2 2.746 CV 1
ASSI { 796}
(( segid "SUPR" and resid 48 and name HB1 ))
(( segid "SUPR" and resid 48 and name HB2 ))
1.800 0.400 0.400 peak 796 spectrum 1 weight 0.10000E+01 volume 0.14144E-01 ppm1 2.994 ppm2 2.743 CV 1
ASSI { 799}
(( segid "SUPR" and resid 49 and name HA ))
(( segid "SUPR" and resid 49 and name HB1 ))
2.400 0.700 0.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.52004E-02 ppm1 4.148 ppm2 1.806 CV 1
ASSI { 801}
(( segid "SUPR" and resid 49 and name HA ))
(( segid "SUPR" and resid 52 and name HA ))
4.300 2.300 1.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.86433E-03 ppm1 4.150 ppm2 3.748 CV 1
ASSI { 803}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 49 and name HA ))
3.100 1.200 1.200 peak 803 spectrum 1 weight 0.10000E+01 volume 0.34782E-02 ppm1 1.381 ppm2 4.146 CV 1
ASSI { 804}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 49 and name HA ))
3.000 1.100 1.100 peak 804 spectrum 1 weight 0.10000E+01 volume 0.45336E-02 ppm1 1.485 ppm2 4.148 CV 1
ASSI { 805}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 49 and name HG1 ))
3.500 1.500 1.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.63965E-03 ppm1 4.165 ppm2 1.369 CV 1
ASSI { 807}
(( segid "SUPR" and resid 50 and name HA ))
( segid "SUPR" and resid 46 and name HG2%)
4.600 2.700 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.76764E-03 ppm1 4.166 ppm2 1.151 CV 1
ASSI { 808}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 50 and name HB ))
2.300 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.85009E-02 ppm1 4.170 ppm2 4.437 CV 1
ASSI { 810}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 53 and name HB1 ))
3.600 1.600 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.29732E-02 ppm1 4.157 ppm2 2.067 CV 1
ASSI { 811}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 53 and name HB2 ))
2.300 0.700 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.51649E-02 ppm1 4.158 ppm2 2.260 CV 1
ASSI { 812}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 53 and name HG1 ))
3.500 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.92118E-03 ppm1 4.167 ppm2 2.317 CV 1
ASSI { 813}
(( segid "SUPR" and resid 50 and name HA ))
(( segid "SUPR" and resid 53 and name HG2 ))
3.600 1.600 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 4.169 ppm2 2.635 CV 1
ASSI { 815}
(( segid "SUPR" and resid 50 and name HB ))
(( segid "SUPR" and resid 42 and name HB1 ))
2.500 2.500 3.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.25226E-02 ppm1 4.443 ppm2 1.109 CV 1
ASSI { 816}
(( segid "SUPR" and resid 50 and name HB ))
(( segid "SUPR" and resid 42 and name HG ))
3.300 3.300 2.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.55682E-02 ppm1 4.445 ppm2 1.240 CV 1
ASSI { 819}
(( segid "SUPR" and resid 50 and name HB ))
( segid "SUPR" and resid 66 and name HG2%)
4.000 2.000 2.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.47756E-03 ppm1 4.443 ppm2 0.569 CV 1
ASSI { 820}
(( segid "SUPR" and resid 50 and name HB ))
( segid "SUPR" and resid 100 and name HG2%)
4.500 2.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.45093E-03 ppm1 4.439 ppm2 0.436 CV 1
ASSI { 822}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 53 and name HG2 ))
3.600 3.600 2.400 peak 822 spectrum 1 weight 0.10000E+01 volume 0.16314E-02 ppm1 1.269 ppm2 2.654 CV 1
ASSI { 824}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 46 and name HA ))
3.300 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15524E-02 ppm1 1.265 ppm2 4.023 CV 1
ASSI { 825}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 50 and name HA ))
2.200 0.600 0.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11770E-01 ppm1 1.269 ppm2 4.146 CV 1
ASSI { 826}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 50 and name HB ))
1.900 0.500 0.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.17762E-01 ppm1 1.278 ppm2 4.439 CV 1
ASSI { 828}
( segid "SUPR" and resid 50 and name HG2%)
( segid "SUPR" and resid 100 and name HG2%)
2.500 0.800 0.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42715E-02 ppm1 1.269 ppm2 0.417 CV 1
ASSI { 829}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 101 and name HB2 ))
3.000 1.100 1.100 peak 829 spectrum 1 weight 0.10000E+01 volume 0.13514E-02 ppm1 1.274 ppm2 3.012 CV 1
ASSI { 830}
(( segid "SUPR" and resid 51 and name HA ))
(( segid "SUPR" and resid 54 and name HB1 ))
3.400 1.500 1.500 peak 830 spectrum 1 weight 0.10000E+01 volume 0.48070E-03 ppm1 4.137 ppm2 2.908 CV 1
ASSI { 831}
(( segid "SUPR" and resid 51 and name HA ))
(( segid "SUPR" and resid 55 and name HB2 ))
3.300 3.300 2.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 4.093 ppm2 3.221 CV 1
ASSI { 832}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 100 and name HG2%)
3.500 1.500 1.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.81366E-03 ppm1 4.131 ppm2 0.436 CV 1
ASSI { 834}
(( segid "SUPR" and resid 51 and name HB1 ))
(( segid "SUPR" and resid 51 and name HB2 ))
1.900 0.400 0.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.68806E-02 ppm1 1.946 ppm2 1.285 CV 1
ASSI { 836}
(( segid "SUPR" and resid 51 and name HB1 ))
( segid "SUPR" and resid 81 and name HG2%)
3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.65468E-03 ppm1 1.946 ppm2 0.277 CV 1
ASSI { 841}
(( segid "SUPR" and resid 51 and name HB2 ))
( segid "SUPR" and resid 81 and name HG2%)
4.600 2.600 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.45921E-03 ppm1 1.279 ppm2 0.266 CV 1
ASSI { 844}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 39 and name HB ))
2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.65315E-02 ppm1 0.547 ppm2 1.453 CV 1
ASSI { 846}
( segid "SUPR" and resid 51 and name HD1%)
( segid "SUPR" and resid 42 and name HD2%)
2.300 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.83915E-02 ppm1 0.558 ppm2 0.640 CV 1
ASSI { 847}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 42 and name HG ))
3.300 1.400 1.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13864E-02 ppm1 0.551 ppm2 1.248 CV 1
ASSI { 848}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 48 and name HA ))
3.200 1.300 1.300 peak 848 spectrum 1 weight 0.10000E+01 volume 0.16567E-02 ppm1 0.549 ppm2 4.054 CV 1
ASSI { 849}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 51 and name HA ))
3.700 1.700 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.20799E-02 ppm1 0.552 ppm2 4.114 CV 1
ASSI { 850}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 51 and name HB1 ))
2.500 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.46027E-02 ppm1 0.543 ppm2 1.940 CV 1
ASSI { 851}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 51 and name HB2 ))
2.400 0.700 0.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.53696E-02 ppm1 0.546 ppm2 1.310 CV 1
ASSI { 853}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 66 and name HA ))
3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.15606E-02 ppm1 0.547 ppm2 3.744 CV 1
ASSI { 854}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 66 and name HB ))
4.500 2.500 1.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.72888E-03 ppm1 0.547 ppm2 1.843 CV 1
ASSI { 855}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 81 and name HB ))
3.700 1.700 1.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.17540E-02 ppm1 0.547 ppm2 1.114 CV 1
ASSI { 856}
( segid "SUPR" and resid 51 and name HD1%)
( segid "SUPR" and resid 81 and name HG2%)
2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.42417E-02 ppm1 0.546 ppm2 0.270 CV 1
ASSI { 860}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 39 and name HB ))
2.500 0.800 0.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.66996E-02 ppm1 0.934 ppm2 1.453 CV 1
ASSI { 861}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 39 and name HG1%)
2.300 0.600 0.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.62944E-02 ppm1 0.932 ppm2 0.648 CV 1
ASSI { 862}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 42 and name HD1%)
2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.58974E-02 ppm1 0.931 ppm2 0.423 CV 1
ASSI { 863}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 42 and name HG ))
3.300 1.300 1.300 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11846E-02 ppm1 0.927 ppm2 1.202 CV 1
ASSI { 864}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 51 and name HA ))
2.200 0.600 0.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.82295E-02 ppm1 0.933 ppm2 4.112 CV 1
ASSI { 865}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 51 and name HB1 ))
2.500 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.33649E-02 ppm1 0.936 ppm2 1.938 CV 1
ASSI { 866}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 51 and name HB2 ))
3.000 1.100 1.100 peak 866 spectrum 1 weight 0.10000E+01 volume 0.49196E-02 ppm1 0.935 ppm2 1.285 CV 1
ASSI { 867}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 51 and name HD1%)
2.100 0.600 0.600 peak 867 spectrum 1 weight 0.10000E+01 volume 0.12594E-01 ppm1 0.932 ppm2 0.537 CV 1
ASSI { 868}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 55 and name HD% )
2.900 1.100 1.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.23843E-02 ppm1 0.936 ppm2 7.768 CV 1
ASSI { 869}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 55 and name HE% )
2.500 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.32277E-02 ppm1 0.932 ppm2 7.280 CV 1
ASSI { 870}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 55 and name HZ ))
3.700 1.700 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.76721E-03 ppm1 0.951 ppm2 7.152 CV 1
ASSI { 871}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 81 and name HG2%)
2.600 0.900 0.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.35406E-02 ppm1 0.931 ppm2 0.264 CV 1
ASSI { 872}
( segid "SUPR" and resid 51 and name HD2%)
( segid "SUPR" and resid 100 and name HD1%)
3.000 1.100 1.100 peak 872 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 0.927 ppm2 0.203 CV 1
ASSI { 873}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 52 and name HB2 ))
2.200 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.85577E-02 ppm1 3.762 ppm2 3.563 CV 1
OR { 873}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 52 and name HB1 ))
ASSI { 875}
(( segid "SUPR" and resid 52 and name HA ))
( segid "SUPR" and resid 61 and name HD1%)
2.700 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.16948E-02 ppm1 3.765 ppm2 0.353 CV 1
ASSI { 876}
(( segid "SUPR" and resid 52 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.81605E-03 ppm1 3.762 ppm2 0.605 CV 1
ASSI { 878}
(( segid "SUPR" and resid 52 and name HA ))
( segid "SUPR" and resid 81 and name HG2%)
3.200 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 3.765 ppm2 0.307 CV 1
ASSI { 879}
(( segid "SUPR" and resid 52 and name HB1 ))
(( segid "SUPR" and resid 49 and name HA ))
2.600 0.800 0.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.39690E-02 ppm1 3.568 ppm2 4.147 CV 1
OR { 879}
(( segid "SUPR" and resid 52 and name HB2 ))
(( segid "SUPR" and resid 49 and name HA ))
ASSI { 883}
(( segid "SUPR" and resid 52 and name HB2 ))
( segid "SUPR" and resid 64 and name HB% )
2.600 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.38984E-02 ppm1 3.571 ppm2 1.319 CV 1
OR { 883}
(( segid "SUPR" and resid 52 and name HB1 ))
( segid "SUPR" and resid 64 and name HB% )
ASSI { 884}
(( segid "SUPR" and resid 52 and name HB2 ))
( segid "SUPR" and resid 81 and name HG2%)
4.400 2.400 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.52862E-03 ppm1 3.576 ppm2 0.310 CV 1
OR { 884}
(( segid "SUPR" and resid 52 and name HB1 ))
( segid "SUPR" and resid 81 and name HG2%)
ASSI { 886}
(( segid "SUPR" and resid 52 and name HD2 ))
(( segid "SUPR" and resid 52 and name HA ))
3.500 1.500 1.500 peak 886 spectrum 1 weight 0.10000E+01 volume 0.71305E-03 ppm1 7.285 ppm2 3.750 CV 1
ASSI { 887}
(( segid "SUPR" and resid 52 and name HD2 ))
(( segid "SUPR" and resid 52 and name HB2 ))
3.000 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.17065E-02 ppm1 7.291 ppm2 3.565 CV 1
OR { 887}
(( segid "SUPR" and resid 52 and name HD2 ))
(( segid "SUPR" and resid 52 and name HB1 ))
ASSI { 888}
(( segid "SUPR" and resid 52 and name HD2 ))
( segid "SUPR" and resid 61 and name HG2%)
3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 7.281 ppm2 0.608 CV 1
ASSI { 889}
(( segid "SUPR" and resid 52 and name HD2 ))
( segid "SUPR" and resid 64 and name HB% )
3.000 1.100 1.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.21971E-02 ppm1 7.284 ppm2 1.319 CV 1
ASSI { 891}
(( segid "SUPR" and resid 53 and name HA ))
(( segid "SUPR" and resid 53 and name HB1 ))
2.300 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.72577E-02 ppm1 4.074 ppm2 2.076 CV 1
ASSI { 892}
(( segid "SUPR" and resid 53 and name HA ))
(( segid "SUPR" and resid 53 and name HB2 ))
2.900 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 4.072 ppm2 2.259 CV 1
ASSI { 896}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 53 and name HG2 ))
3.000 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.29994E-02 ppm1 2.088 ppm2 2.633 CV 1
ASSI { 898}
(( segid "SUPR" and resid 53 and name HB2 ))
(( segid "SUPR" and resid 53 and name HB1 ))
1.600 0.300 0.600 peak 898 spectrum 1 weight 0.10000E+01 volume 0.21321E-01 ppm1 2.256 ppm2 2.078 CV 1
ASSI { 899}
(( segid "SUPR" and resid 53 and name HB2 ))
(( segid "SUPR" and resid 53 and name HG1 ))
2.300 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.63720E-02 ppm1 2.270 ppm2 2.321 CV 1
ASSI { 900}
(( segid "SUPR" and resid 53 and name HB2 ))
(( segid "SUPR" and resid 53 and name HG2 ))
2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 2.295 ppm2 2.637 CV 1
ASSI { 901}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 49 and name HA ))
3.500 3.500 2.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.12739E-02 ppm1 2.308 ppm2 4.146 CV 1
ASSI { 902}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 52 and name HB1 ))
4.800 2.900 1.200 peak 902 spectrum 1 weight 0.10000E+01 volume 0.43213E-03 ppm1 2.352 ppm2 3.574 CV 1
OR { 902}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 52 and name HB2 ))
ASSI { 903}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 53 and name HA ))
3.000 1.100 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.55005E-02 ppm1 2.324 ppm2 4.069 CV 1
ASSI { 904}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 53 and name HB1 ))
2.400 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.62522E-02 ppm1 2.335 ppm2 2.067 CV 1
ASSI { 905}
(( segid "SUPR" and resid 53 and name HG1 ))
(( segid "SUPR" and resid 53 and name HG2 ))
1.700 0.400 0.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.17514E-01 ppm1 2.326 ppm2 2.635 CV 1
ASSI { 906}
(( segid "SUPR" and resid 53 and name HG2 ))
(( segid "SUPR" and resid 49 and name HA ))
3.100 1.200 1.200 peak 906 spectrum 1 weight 0.10000E+01 volume 0.15561E-02 ppm1 2.627 ppm2 4.146 CV 1
ASSI { 907}
(( segid "SUPR" and resid 53 and name HG2 ))
(( segid "SUPR" and resid 52 and name HB1 ))
3.500 1.500 1.500 peak 907 spectrum 1 weight 0.10000E+01 volume 0.96470E-03 ppm1 2.649 ppm2 3.566 CV 1
OR { 907}
(( segid "SUPR" and resid 53 and name HG2 ))
(( segid "SUPR" and resid 52 and name HB2 ))
ASSI { 908}
(( segid "SUPR" and resid 53 and name HG2 ))
(( segid "SUPR" and resid 53 and name HA ))
2.600 0.800 0.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.43264E-02 ppm1 2.629 ppm2 4.067 CV 1
ASSI { 912}
(( segid "SUPR" and resid 54 and name HA ))
(( segid "SUPR" and resid 54 and name HB1 ))
3.100 1.200 1.200 peak 912 spectrum 1 weight 0.10000E+01 volume 0.21176E-02 ppm1 4.091 ppm2 2.897 CV 1
ASSI { 914}
(( segid "SUPR" and resid 54 and name HA ))
( segid "SUPR" and resid 54 and name HD% )
3.100 1.200 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 4.093 ppm2 6.342 CV 1
ASSI { 915}
(( segid "SUPR" and resid 54 and name HA ))
( segid "SUPR" and resid 54 and name HE% )
4.000 2.000 2.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.99141E-03 ppm1 4.089 ppm2 6.459 CV 1
ASSI { 929}
( segid "SUPR" and resid 54 and name HD% )
( segid "SUPR" and resid 54 and name HE% )
2.600 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.38206E-02 ppm1 6.341 ppm2 6.457 CV 1
ASSI { 930}
( segid "SUPR" and resid 54 and name HE% )
( segid "SUPR" and resid 55 and name HE% )
3.800 1.800 1.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.90516E-03 ppm1 6.453 ppm2 7.293 CV 1
ASSI { 931}
( segid "SUPR" and resid 54 and name HE% )
(( segid "SUPR" and resid 54 and name HB1 ))
4.400 2.400 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.69411E-03 ppm1 6.470 ppm2 2.901 CV 1
ASSI { 934}
( segid "SUPR" and resid 54 and name HE% )
( segid "SUPR" and resid 58 and name HE% )
3.300 1.400 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 6.464 ppm2 6.964 CV 1
ASSI { 937}
( segid "SUPR" and resid 54 and name HE% )
(( segid "SUPR" and resid 98 and name HB2 ))
3.300 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.72882E-03 ppm1 6.463 ppm2 1.542 CV 1
ASSI { 939}
( segid "SUPR" and resid 54 and name HE% )
(( segid "SUPR" and resid 100 and name HB ))
4.500 2.600 1.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.48325E-03 ppm1 6.432 ppm2 1.294 CV 1
ASSI { 940}
( segid "SUPR" and resid 54 and name HE% )
( segid "SUPR" and resid 100 and name HD1%)
4.000 2.000 2.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.48008E-03 ppm1 6.450 ppm2 0.195 CV 1
ASSI { 943}
(( segid "SUPR" and resid 55 and name HA ))
( segid "SUPR" and resid 54 and name HD% )
3.600 1.600 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.61593E-03 ppm1 4.334 ppm2 6.344 CV 1
ASSI { 944}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 55 and name HB1 ))
2.700 0.900 0.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 4.329 ppm2 2.877 CV 1
ASSI { 947}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 56 and name HB1 ))
3.700 3.700 2.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.15063E-02 ppm1 4.343 ppm2 2.064 CV 1
ASSI { 948}
(( segid "SUPR" and resid 55 and name HA ))
( segid "SUPR" and resid 58 and name HD% )
2.600 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.29007E-02 ppm1 4.317 ppm2 7.348 CV 1
ASSI { 949}
(( segid "SUPR" and resid 55 and name HA ))
( segid "SUPR" and resid 58 and name HE% )
3.300 1.400 1.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 4.317 ppm2 6.965 CV 1
ASSI { 950}
(( segid "SUPR" and resid 55 and name HA ))
( segid "SUPR" and resid 92 and name HB% )
3.800 1.800 1.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.91995E-03 ppm1 4.359 ppm2 1.414 CV 1
ASSI { 953}
(( segid "SUPR" and resid 55 and name HB1 ))
( segid "SUPR" and resid 55 and name HD% )
2.600 0.800 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.23012E-02 ppm1 2.886 ppm2 7.767 CV 1
ASSI { 956}
(( segid "SUPR" and resid 55 and name HB1 ))
( segid "SUPR" and resid 81 and name HG2%)
3.700 1.700 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.98089E-03 ppm1 2.876 ppm2 0.307 CV 1
ASSI { 957}
(( segid "SUPR" and resid 55 and name HB1 ))
( segid "SUPR" and resid 83 and name HE% )
2.700 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 2.901 ppm2 1.938 CV 1
ASSI { 958}
(( segid "SUPR" and resid 55 and name HB1 ))
( segid "SUPR" and resid 92 and name HB% )
3.300 1.300 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.901 ppm2 1.416 CV 1
ASSI { 960}
(( segid "SUPR" and resid 55 and name HB2 ))
(( segid "SUPR" and resid 55 and name HA ))
2.900 1.100 1.100 peak 960 spectrum 1 weight 0.10000E+01 volume 0.21676E-02 ppm1 3.251 ppm2 4.314 CV 1
ASSI { 961}
(( segid "SUPR" and resid 55 and name HB2 ))
(( segid "SUPR" and resid 55 and name HB1 ))
2.000 0.500 0.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.51383E-02 ppm1 3.252 ppm2 2.868 CV 1
ASSI { 962}
(( segid "SUPR" and resid 55 and name HB2 ))
( segid "SUPR" and resid 55 and name HD% )
3.000 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 3.260 ppm2 7.766 CV 1
ASSI { 965}
(( segid "SUPR" and resid 55 and name HB2 ))
( segid "SUPR" and resid 81 and name HG2%)
3.200 1.300 1.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 3.270 ppm2 0.303 CV 1
ASSI { 966}
(( segid "SUPR" and resid 55 and name HB2 ))
( segid "SUPR" and resid 83 and name HE% )
4.200 2.200 1.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.90547E-03 ppm1 3.276 ppm2 1.936 CV 1
ASSI { 967}
(( segid "SUPR" and resid 55 and name HB2 ))
( segid "SUPR" and resid 92 and name HB% )
4.500 2.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.55219E-03 ppm1 3.267 ppm2 1.412 CV 1
ASSI { 968}
( segid "SUPR" and resid 55 and name HD% )
( segid "SUPR" and resid 54 and name HD% )
3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.42562E-03 ppm1 7.768 ppm2 6.351 CV 1
ASSI { 969}
( segid "SUPR" and resid 55 and name HD% )
(( segid "SUPR" and resid 55 and name HA ))
3.100 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 7.773 ppm2 4.312 CV 1
ASSI { 973}
( segid "SUPR" and resid 55 and name HD% )
( segid "SUPR" and resid 58 and name HD% )
3.300 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 7.772 ppm2 7.335 CV 1
ASSI { 976}
( segid "SUPR" and resid 55 and name HD% )
(( segid "SUPR" and resid 92 and name HA ))
4.000 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.70376E-03 ppm1 7.771 ppm2 1.944 CV 1
ASSI { 978}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 37 and name HG12))
3.300 1.400 1.400 peak 978 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 7.294 ppm2 0.560 CV 1
ASSI { 979}
( segid "SUPR" and resid 55 and name HE% )
( segid "SUPR" and resid 37 and name HG2%)
2.800 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.18939E-02 ppm1 7.302 ppm2 0.677 CV 1
ASSI { 980}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 55 and name HB1 ))
3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 7.305 ppm2 2.884 CV 1
ASSI { 981}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 55 and name HB2 ))
4.600 2.600 1.400 peak 981 spectrum 1 weight 0.10000E+01 volume 0.40869E-03 ppm1 7.322 ppm2 3.255 CV 1
ASSI { 982}
( segid "SUPR" and resid 55 and name HE% )
( segid "SUPR" and resid 55 and name HD% )
2.500 0.800 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.32880E-02 ppm1 7.293 ppm2 7.771 CV 1
ASSI { 983}
( segid "SUPR" and resid 55 and name HE% )
( segid "SUPR" and resid 92 and name HB% )
2.700 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.27976E-02 ppm1 7.308 ppm2 1.412 CV 1
ASSI { 985}
( segid "SUPR" and resid 55 and name HE% )
( segid "SUPR" and resid 107 and name HG1%)
3.600 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.76929E-03 ppm1 7.284 ppm2 1.038 CV 1
ASSI { 986}
(( segid "SUPR" and resid 55 and name HZ ))
( segid "SUPR" and resid 55 and name HD% )
4.400 2.400 1.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.37945E-03 ppm1 7.180 ppm2 7.783 CV 1
ASSI { 987}
(( segid "SUPR" and resid 55 and name HZ ))
( segid "SUPR" and resid 58 and name HE% )
3.400 3.400 2.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.83402E-03 ppm1 7.139 ppm2 6.965 CV 1
ASSI { 994}
(( segid "SUPR" and resid 56 and name HA ))
( segid "SUPR" and resid 61 and name HD1%)
2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.25912E-02 ppm1 4.432 ppm2 0.353 CV 1
ASSI { 995}
(( segid "SUPR" and resid 56 and name HG1 ))
(( segid "SUPR" and resid 56 and name HB1 ))
3.200 1.300 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.23572E-02 ppm1 2.433 ppm2 2.064 CV 1
ASSI { 997}
(( segid "SUPR" and resid 56 and name HG1 ))
(( segid "SUPR" and resid 56 and name HG2 ))
1.900 0.400 0.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.11220E-01 ppm1 2.425 ppm2 2.613 CV 1
ASSI { 998}
(( segid "SUPR" and resid 56 and name HG1 ))
( segid "SUPR" and resid 61 and name HD1%)
4.300 2.300 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.99079E-03 ppm1 2.434 ppm2 0.356 CV 1
ASSI { 1006}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 57 and name HA ))
2.400 0.700 0.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.71923E-02 ppm1 1.574 ppm2 4.072 CV 1
OR { 1006}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 57 and name HA ))
ASSI { 1007}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 57 and name HG2 ))
2.900 1.000 1.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 1.560 ppm2 0.136 CV 1
OR { 1007}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 57 and name HG2 ))
ASSI { 1008}
(( segid "SUPR" and resid 57 and name HG1 ))
(( segid "SUPR" and resid 57 and name HA ))
3.300 1.300 1.300 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.25606E-02 ppm1 1.503 ppm2 4.076 CV 1
ASSI { 1009}
(( segid "SUPR" and resid 57 and name HG1 ))
(( segid "SUPR" and resid 57 and name HG2 ))
2.000 0.500 0.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.71202E-02 ppm1 1.504 ppm2 0.136 CV 1
ASSI { 1014}
(( segid "SUPR" and resid 58 and name HA ))
( segid "SUPR" and resid 58 and name HD% )
2.800 1.000 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.29007E-02 ppm1 4.309 ppm2 7.349 CV 1
ASSI { 1016}
(( segid "SUPR" and resid 58 and name HB1 ))
( segid "SUPR" and resid 58 and name HD% )
3.000 1.100 1.100 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.18572E-02 ppm1 2.894 ppm2 7.347 CV 1
ASSI { 1018}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 58 and name HA ))
3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.91470E-03 ppm1 3.675 ppm2 4.321 CV 1
ASSI { 1019}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 58 and name HB1 ))
2.000 0.500 0.500 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.53968E-02 ppm1 3.667 ppm2 2.888 CV 1
ASSI { 1022}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 91 and name HB1 ))
4.300 2.300 1.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.10409E-02 ppm1 3.677 ppm2 2.348 CV 1
ASSI { 1023}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 91 and name HB2 ))
4.300 2.300 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.64276E-03 ppm1 3.665 ppm2 2.078 CV 1
ASSI { 1027}
( segid "SUPR" and resid 58 and name HD% )
(( segid "SUPR" and resid 58 and name HB2 ))
3.000 1.100 1.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.11014E-02 ppm1 7.375 ppm2 3.661 CV 1
ASSI { 1028}
( segid "SUPR" and resid 58 and name HD% )
( segid "SUPR" and resid 58 and name HE% )
3.000 1.100 1.100 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.14260E-02 ppm1 7.366 ppm2 6.967 CV 1
ASSI { 1032}
( segid "SUPR" and resid 58 and name HE% )
( segid "SUPR" and resid 55 and name HE% )
3.400 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.97564E-03 ppm1 6.968 ppm2 7.301 CV 1
ASSI { 1035}
( segid "SUPR" and resid 58 and name HE% )
(( segid "SUPR" and resid 58 and name HZ ))
3.300 1.300 1.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.98976E-03 ppm1 6.968 ppm2 7.245 CV 1
ASSI { 1038}
(( segid "SUPR" and resid 59 and name HA1 ))
(( segid "SUPR" and resid 88 and name HB2 ))
3.900 1.900 1.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.61801E-03 ppm1 3.856 ppm2 4.056 CV 1
ASSI { 1039}
(( segid "SUPR" and resid 59 and name HA1 ))
(( segid "SUPR" and resid 59 and name HA2 ))
1.900 0.500 0.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.88163E-02 ppm1 3.845 ppm2 4.578 CV 1
ASSI { 1040}
(( segid "SUPR" and resid 59 and name HA1 ))
( segid "SUPR" and resid 83 and name HE% )
3.600 1.700 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.61648E-03 ppm1 3.855 ppm2 1.938 CV 1
ASSI { 1041}
(( segid "SUPR" and resid 59 and name HA2 ))
(( segid "SUPR" and resid 88 and name HB2 ))
4.600 2.700 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.86678E-03 ppm1 4.588 ppm2 4.056 CV 1
ASSI { 1043}
(( segid "SUPR" and resid 59 and name HA2 ))
( segid "SUPR" and resid 83 and name HE% )
4.200 2.200 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.87332E-03 ppm1 4.571 ppm2 1.931 CV 1
ASSI { 1044}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 60 and name HB1 ))
2.400 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.46872E-02 ppm1 4.730 ppm2 2.537 CV 1
ASSI { 1045}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 60 and name HB2 ))
2.600 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.68836E-02 ppm1 4.731 ppm2 2.600 CV 1
ASSI { 1046}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.76434E-03 ppm1 4.719 ppm2 1.526 CV 1
ASSI { 1047}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HA ))
4.400 2.400 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.94263E-03 ppm1 2.558 ppm2 4.107 CV 1
OR { 1047}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HA ))
ASSI { 1048}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HB2 ))
2.900 1.000 1.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.30723E-02 ppm1 2.573 ppm2 1.910 CV 1
OR { 1048}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HB2 ))
ASSI { 1049}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HD2 ))
2.400 0.700 0.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.74368E-02 ppm1 2.582 ppm2 1.722 CV 1
OR { 1049}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HD2 ))
OR { 1049}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HD1 ))
OR { 1049}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HD1 ))
ASSI { 1050}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
4.000 2.000 2.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 2.586 ppm2 1.384 CV 1
OR { 1050}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 1050}
(( segid "SUPR" and resid 60 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
OR { 1050}
(( segid "SUPR" and resid 60 and name HB2 ))
(( segid "SUPR" and resid 84 and name HG2 ))
ASSI { 1051}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 61 and name HB ))
2.700 0.900 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.27761E-02 ppm1 4.125 ppm2 1.502 CV 1
ASSI { 1052}
(( segid "SUPR" and resid 61 and name HA ))
( segid "SUPR" and resid 61 and name HD1%)
4.500 2.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.56170E-03 ppm1 4.131 ppm2 0.335 CV 1
ASSI { 1053}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.27072E-02 ppm1 4.127 ppm2 1.523 CV 1
ASSI { 1054}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 61 and name HG12))
2.500 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 4.127 ppm2 0.930 CV 1
ASSI { 1055}
(( segid "SUPR" and resid 61 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
2.300 0.700 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.55372E-02 ppm1 4.127 ppm2 0.607 CV 1
ASSI { 1056}
(( segid "SUPR" and resid 61 and name HA ))
( segid "SUPR" and resid 81 and name HG1%)
4.100 2.100 1.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.54977E-03 ppm1 4.118 ppm2 0.528 CV 1
ASSI { 1058}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 83 and name HA ))
2.000 0.500 0.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.74838E-02 ppm1 4.123 ppm2 5.098 CV 1
ASSI { 1059}
(( segid "SUPR" and resid 61 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
3.200 1.300 1.300 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.10635E-02 ppm1 4.134 ppm2 1.937 CV 1
ASSI { 1060}
(( segid "SUPR" and resid 61 and name HB ))
(( segid "SUPR" and resid 52 and name HE1 ))
2.900 2.900 3.100 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.10817E-02 ppm1 1.499 ppm2 8.485 CV 1
ASSI { 1061}
(( segid "SUPR" and resid 61 and name HB ))
( segid "SUPR" and resid 61 and name HD1%)
2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.24469E-02 ppm1 1.503 ppm2 0.355 CV 1
ASSI { 1062}
(( segid "SUPR" and resid 61 and name HB ))
( segid "SUPR" and resid 61 and name HG2%)
2.100 0.500 0.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.10510E-01 ppm1 1.499 ppm2 0.608 CV 1
ASSI { 1063}
(( segid "SUPR" and resid 61 and name HB ))
( segid "SUPR" and resid 81 and name HG2%)
3.500 3.500 2.500 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 1.500 ppm2 0.313 CV 1
ASSI { 1064}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 81 and name HG1%)
3.100 1.200 1.200 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.29615E-02 ppm1 0.345 ppm2 0.534 CV 1
ASSI { 1067}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 51 and name HA ))
2.500 2.500 3.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.25349E-02 ppm1 0.347 ppm2 4.117 CV 1
ASSI { 1068}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 51 and name HD2%)
2.900 2.900 3.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.49925E-02 ppm1 0.347 ppm2 0.930 CV 1
ASSI { 1069}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 52 and name HB2 ))
3.800 1.800 1.800 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 0.332 ppm2 3.575 CV 1
OR { 1069}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 52 and name HB1 ))
ASSI { 1070}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 55 and name HB1 ))
2.700 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.36777E-02 ppm1 0.343 ppm2 2.876 CV 1
ASSI { 1071}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 55 and name HB2 ))
2.300 0.700 0.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.36140E-02 ppm1 0.346 ppm2 3.254 CV 1
ASSI { 1072}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 56 and name HB1 ))
2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.19202E-02 ppm1 0.345 ppm2 2.063 CV 1
ASSI { 1074}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 56 and name HG2 ))
3.400 1.400 1.400 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 0.343 ppm2 2.611 CV 1
ASSI { 1076}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 61 and name HG11))
2.100 0.600 0.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.73989E-02 ppm1 0.346 ppm2 1.510 CV 1
ASSI { 1077}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 61 and name HG2%)
2.000 0.500 0.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.14022E-01 ppm1 0.346 ppm2 0.604 CV 1
ASSI { 1079}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 64 and name HB% )
2.900 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.33845E-02 ppm1 0.344 ppm2 1.318 CV 1
ASSI { 1082}
( segid "SUPR" and resid 61 and name HG2%)
( segid "SUPR" and resid 82 and name HG2%)
3.600 1.600 1.600 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.16775E-02 ppm1 0.610 ppm2 1.172 CV 1
ASSI { 1083}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 61 and name HB ))
2.100 0.500 0.500 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.13052E-01 ppm1 0.614 ppm2 1.493 CV 1
OR { 1083}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 61 and name HG11))
ASSI { 1085}
( segid "SUPR" and resid 61 and name HG2%)
( segid "SUPR" and resid 51 and name HD2%)
3.000 3.000 3.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.51258E-02 ppm1 0.623 ppm2 0.928 CV 1
ASSI { 1087}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 62 and name HG1 ))
4.400 2.400 1.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.77821E-03 ppm1 0.627 ppm2 2.107 CV 1
OR { 1087}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 62 and name HG2 ))
ASSI { 1089}
( segid "SUPR" and resid 61 and name HG2%)
( segid "SUPR" and resid 64 and name HB% )
2.300 0.600 0.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.85021E-02 ppm1 0.623 ppm2 1.316 CV 1
ASSI { 1091}
( segid "SUPR" and resid 61 and name HG2%)
( segid "SUPR" and resid 81 and name HG2%)
2.700 0.900 0.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.66361E-02 ppm1 0.617 ppm2 0.310 CV 1
ASSI { 1092}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 83 and name HA ))
3.200 1.300 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.17644E-02 ppm1 0.614 ppm2 5.094 CV 1
ASSI { 1093}
(( segid "SUPR" and resid 62 and name HA ))
( segid "SUPR" and resid 82 and name HG2%)
4.600 2.600 1.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.62712E-03 ppm1 4.425 ppm2 1.159 CV 1
ASSI { 1094}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 62 and name HB1 ))
2.600 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.67828E-02 ppm1 4.411 ppm2 1.701 CV 1
ASSI { 1095}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 62 and name HB2 ))
2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.47081E-02 ppm1 4.414 ppm2 1.818 CV 1
ASSI { 1097}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 84 and name HE1 ))
3.300 1.400 1.400 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 4.419 ppm2 2.967 CV 1
OR { 1097}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 84 and name HE2 ))
ASSI { 1100}
(( segid "SUPR" and resid 62 and name HB1 ))
( segid "SUPR" and resid 82 and name HG2%)
2.800 1.000 1.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.18940E-02 ppm1 1.694 ppm2 1.166 CV 1
ASSI { 1103}
(( segid "SUPR" and resid 62 and name HB2 ))
( segid "SUPR" and resid 82 and name HG2%)
3.300 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 1.832 ppm2 1.164 CV 1
ASSI { 1105}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 63 and name HG2 ))
4.200 2.200 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 2.119 ppm2 2.353 CV 1
OR { 1105}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 63 and name HG2 ))
ASSI { 1106}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 30 and name HD1 ))
3.200 1.300 1.300 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.52669E-03 ppm1 2.120 ppm2 3.234 CV 1
OR { 1106}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 30 and name HD1 ))
OR { 1106}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 30 and name HD2 ))
OR { 1106}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 30 and name HD2 ))
ASSI { 1107}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 62 and name HA ))
2.500 0.800 0.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.68659E-02 ppm1 2.114 ppm2 4.406 CV 1
OR { 1107}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 62 and name HA ))
ASSI { 1108}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 62 and name HB1 ))
2.200 0.600 0.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.11242E-01 ppm1 2.110 ppm2 1.703 CV 1
OR { 1108}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 62 and name HB1 ))
ASSI { 1109}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 62 and name HB2 ))
2.200 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10481E-01 ppm1 2.108 ppm2 1.818 CV 1
OR { 1109}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 62 and name HB2 ))
ASSI { 1110}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 63 and name HA ))
3.500 1.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.14339E-02 ppm1 2.119 ppm2 4.538 CV 1
OR { 1110}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 63 and name HA ))
ASSI { 1111}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 82 and name HB ))
3.400 1.500 1.500 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.19635E-02 ppm1 2.110 ppm2 3.918 CV 1
OR { 1111}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 82 and name HB ))
ASSI { 1112}
(( segid "SUPR" and resid 62 and name HG1 ))
( segid "SUPR" and resid 82 and name HG2%)
3.200 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.27699E-02 ppm1 2.109 ppm2 1.165 CV 1
OR { 1112}
(( segid "SUPR" and resid 62 and name HG2 ))
( segid "SUPR" and resid 82 and name HG2%)
ASSI { 1113}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 84 and name HA ))
2.900 1.100 1.100 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.61190E-02 ppm1 2.111 ppm2 4.100 CV 1
OR { 1113}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 84 and name HA ))
ASSI { 1114}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 84 and name HG2 ))
3.800 1.800 1.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.72760E-03 ppm1 2.121 ppm2 1.382 CV 1
OR { 1114}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
OR { 1114}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 1114}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
ASSI { 1116}
(( segid "SUPR" and resid 63 and name HA ))
(( segid "SUPR" and resid 63 and name HB1 ))
2.800 1.000 1.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.43970E-02 ppm1 4.540 ppm2 1.992 CV 1
ASSI { 1117}
(( segid "SUPR" and resid 63 and name HA ))
(( segid "SUPR" and resid 63 and name HB2 ))
2.400 0.700 0.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.42499E-02 ppm1 4.539 ppm2 2.113 CV 1
ASSI { 1118}
(( segid "SUPR" and resid 63 and name HA ))
(( segid "SUPR" and resid 63 and name HG2 ))
3.100 1.200 1.200 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.43613E-02 ppm1 4.541 ppm2 2.355 CV 1
ASSI { 1120}
(( segid "SUPR" and resid 63 and name HB1 ))
(( segid "SUPR" and resid 63 and name HB2 ))
2.100 0.500 0.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.58691E-02 ppm1 1.986 ppm2 2.119 CV 1
ASSI { 1121}
(( segid "SUPR" and resid 63 and name HB1 ))
(( segid "SUPR" and resid 63 and name HG2 ))
2.500 0.800 0.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.37244E-02 ppm1 1.992 ppm2 2.356 CV 1
ASSI { 1125}
(( segid "SUPR" and resid 63 and name HB2 ))
(( segid "SUPR" and resid 63 and name HG2 ))
2.700 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.42005E-02 ppm1 2.122 ppm2 2.355 CV 1
ASSI { 1128}
(( segid "SUPR" and resid 63 and name HG1 ))
(( segid "SUPR" and resid 63 and name HB2 ))
2.800 1.000 1.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.45165E-02 ppm1 2.016 ppm2 2.112 CV 1
ASSI { 1129}
(( segid "SUPR" and resid 63 and name HG1 ))
(( segid "SUPR" and resid 63 and name HG2 ))
1.900 0.500 0.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.95051E-02 ppm1 2.016 ppm2 2.358 CV 1
ASSI { 1130}
(( segid "SUPR" and resid 63 and name HG1 ))
(( segid "SUPR" and resid 64 and name HA ))
3.600 1.600 1.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.54271E-03 ppm1 1.995 ppm2 5.267 CV 1
ASSI { 1135}
(( segid "SUPR" and resid 63 and name HG2 ))
(( segid "SUPR" and resid 64 and name HA ))
4.300 2.300 1.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.51931E-03 ppm1 2.387 ppm2 5.259 CV 1
ASSI { 1137}
(( segid "SUPR" and resid 64 and name HA ))
(( segid "SUPR" and resid 51 and name HB1 ))
4.000 2.000 2.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.52678E-03 ppm1 5.262 ppm2 1.948 CV 1
ASSI { 1138}
(( segid "SUPR" and resid 64 and name HA ))
( segid "SUPR" and resid 51 and name HD1%)
3.200 1.300 1.300 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.25135E-02 ppm1 5.262 ppm2 0.534 CV 1
ASSI { 1139}
(( segid "SUPR" and resid 64 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
3.300 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 5.255 ppm2 0.605 CV 1
ASSI { 1141}
(( segid "SUPR" and resid 64 and name HA ))
( segid "SUPR" and resid 64 and name HB% )
2.300 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.69435E-02 ppm1 5.260 ppm2 1.320 CV 1
ASSI { 1142}
(( segid "SUPR" and resid 64 and name HA ))
( segid "SUPR" and resid 65 and name HG1%)
3.400 1.400 1.400 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.18849E-02 ppm1 5.260 ppm2 0.942 CV 1
ASSI { 1145}
( segid "SUPR" and resid 64 and name HB% )
( segid "SUPR" and resid 42 and name HD2%)
2.700 2.700 3.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.11474E-01 ppm1 1.325 ppm2 0.611 CV 1
ASSI { 1146}
( segid "SUPR" and resid 64 and name HB% )
( segid "SUPR" and resid 51 and name HD1%)
2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.83542E-02 ppm1 1.330 ppm2 0.538 CV 1
ASSI { 1147}
( segid "SUPR" and resid 64 and name HB% )
(( segid "SUPR" and resid 52 and name HA ))
2.400 0.700 0.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.64649E-02 ppm1 1.323 ppm2 3.751 CV 1
ASSI { 1153}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 48 and name HB1 ))
3.100 1.200 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 4.755 ppm2 2.968 CV 1
ASSI { 1154}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 48 and name HB2 ))
4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.71232E-03 ppm1 4.758 ppm2 2.739 CV 1
ASSI { 1155}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 65 and name HB ))
2.300 0.700 0.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.66727E-02 ppm1 4.759 ppm2 1.943 CV 1
ASSI { 1156}
(( segid "SUPR" and resid 65 and name HA ))
( segid "SUPR" and resid 65 and name HG2%)
2.400 0.700 0.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.93181E-02 ppm1 4.763 ppm2 0.946 CV 1
OR { 1156}
(( segid "SUPR" and resid 65 and name HA ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1157}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 66 and name HB ))
4.500 2.500 1.500 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.88297E-03 ppm1 4.768 ppm2 1.849 CV 1
ASSI { 1158}
(( segid "SUPR" and resid 65 and name HA ))
( segid "SUPR" and resid 66 and name HG2%)
3.800 1.800 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.90712E-03 ppm1 4.765 ppm2 0.552 CV 1
ASSI { 1159}
(( segid "SUPR" and resid 65 and name HB ))
( segid "SUPR" and resid 65 and name HG1%)
2.000 0.500 0.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.18429E-01 ppm1 1.957 ppm2 0.944 CV 1
OR { 1159}
(( segid "SUPR" and resid 65 and name HB ))
( segid "SUPR" and resid 65 and name HG2%)
ASSI { 1160}
(( segid "SUPR" and resid 65 and name HB ))
( segid "SUPR" and resid 67 and name HD1%)
3.700 1.700 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.86213E-03 ppm1 1.948 ppm2 0.795 CV 1
ASSI { 1161}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "RNA1" and resid 6 and name H1' ))
3.800 1.800 1.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 0.963 ppm2 6.034 CV 1
OR { 1161}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "RNA1" and resid 6 and name H1' ))
ASSI { 1162}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 48 and name HB1 ))
3.600 1.600 1.600 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.88108E-03 ppm1 0.950 ppm2 2.963 CV 1
OR { 1162}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 48 and name HB1 ))
ASSI { 1163}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 48 and name HB2 ))
2.400 2.400 3.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.30033E-02 ppm1 0.950 ppm2 2.788 CV 1
OR { 1163}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 48 and name HB2 ))
ASSI { 1164}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 63 and name HG1 ))
2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.49383E-02 ppm1 0.946 ppm2 1.995 CV 1
OR { 1164}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 63 and name HG1 ))
ASSI { 1165}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 63 and name HG2 ))
2.800 1.000 1.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.38660E-02 ppm1 0.955 ppm2 2.355 CV 1
OR { 1165}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 63 and name HG2 ))
ASSI { 1166}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 64 and name HA ))
3.300 1.300 1.300 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 0.958 ppm2 5.254 CV 1
OR { 1166}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 64 and name HA ))
ASSI { 1168}
( segid "SUPR" and resid 65 and name HG1%)
(( segid "SUPR" and resid 80 and name HA ))
3.800 1.800 1.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.10418E-02 ppm1 0.967 ppm2 5.535 CV 1
OR { 1168}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 80 and name HA ))
ASSI { 1169}
( segid "SUPR" and resid 65 and name HG2%)
( segid "SUPR" and resid 80 and name HD% )
3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.21917E-02 ppm1 0.953 ppm2 6.627 CV 1
OR { 1169}
( segid "SUPR" and resid 65 and name HG1%)
( segid "SUPR" and resid 80 and name HD% )
ASSI { 1170}
(( segid "SUPR" and resid 66 and name HA ))
(( segid "SUPR" and resid 79 and name HA2 ))
2.500 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.29440E-02 ppm1 3.748 ppm2 3.946 CV 1
ASSI { 1171}
(( segid "SUPR" and resid 66 and name HA ))
( segid "SUPR" and resid 65 and name HG2%)
3.200 1.300 1.300 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 3.742 ppm2 0.942 CV 1
OR { 1171}
(( segid "SUPR" and resid 66 and name HA ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1175}
(( segid "SUPR" and resid 66 and name HA ))
( segid "SUPR" and resid 67 and name HD1%)
4.200 2.200 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.60818E-03 ppm1 3.747 ppm2 0.793 CV 1
ASSI { 1177}
(( segid "SUPR" and resid 66 and name HB ))
( segid "SUPR" and resid 65 and name HG2%)
4.000 2.000 2.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.97001E-03 ppm1 1.862 ppm2 0.940 CV 1
OR { 1177}
(( segid "SUPR" and resid 66 and name HB ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1178}
(( segid "SUPR" and resid 66 and name HB ))
(( segid "SUPR" and resid 66 and name HA ))
2.600 0.900 0.900 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.39973E-02 ppm1 1.844 ppm2 3.748 CV 1
ASSI { 1181}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 79 and name HA1 ))
3.500 1.500 1.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.12841E-02 ppm1 0.714 ppm2 3.802 CV 1
ASSI { 1182}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 46 and name HB ))
3.400 1.500 1.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.77185E-03 ppm1 0.714 ppm2 3.681 CV 1
ASSI { 1183}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 66 and name HA ))
2.400 0.700 0.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.67803E-02 ppm1 0.706 ppm2 3.739 CV 1
ASSI { 1184}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 66 and name HB ))
2.100 0.600 0.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.12581E-01 ppm1 0.705 ppm2 1.846 CV 1
ASSI { 1185}
( segid "SUPR" and resid 66 and name HG1%)
( segid "SUPR" and resid 66 and name HG2%)
2.100 0.600 0.600 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.16551E-01 ppm1 0.695 ppm2 0.564 CV 1
ASSI { 1186}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 67 and name HA ))
3.200 1.300 1.300 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 0.713 ppm2 4.103 CV 1
ASSI { 1188}
( segid "SUPR" and resid 66 and name HG1%)
(( segid "SUPR" and resid 75 and name HB1 ))
3.000 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.23380E-02 ppm1 0.713 ppm2 4.070 CV 1
ASSI { 1189}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 48 and name HB1 ))
3.600 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 0.568 ppm2 2.970 CV 1
ASSI { 1190}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.53118E-03 ppm1 0.576 ppm2 2.746 CV 1
ASSI { 1191}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 49 and name HG2 ))
2.100 2.100 3.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.71293E-02 ppm1 0.580 ppm2 1.443 CV 1
ASSI { 1192}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 51 and name HB1 ))
3.300 1.300 1.300 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.36412E-02 ppm1 0.568 ppm2 1.938 CV 1
ASSI { 1193}
( segid "SUPR" and resid 66 and name HG2%)
( segid "SUPR" and resid 64 and name HB% )
2.900 2.900 3.100 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.39665E-02 ppm1 0.571 ppm2 1.312 CV 1
ASSI { 1194}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 66 and name HA ))
2.300 0.600 0.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.72675E-02 ppm1 0.572 ppm2 3.737 CV 1
ASSI { 1195}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 66 and name HB ))
2.100 0.600 0.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.11390E-01 ppm1 0.584 ppm2 1.845 CV 1
ASSI { 1197}
(( segid "SUPR" and resid 67 and name HA ))
(( segid "SUPR" and resid 67 and name HB ))
2.800 1.000 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.25261E-02 ppm1 4.107 ppm2 0.970 CV 1
ASSI { 1198}
(( segid "SUPR" and resid 67 and name HA ))
(( segid "SUPR" and resid 67 and name HG12))
3.200 1.300 1.300 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.14382E-02 ppm1 4.111 ppm2 1.157 CV 1
ASSI { 1199}
(( segid "SUPR" and resid 67 and name HA ))
( segid "SUPR" and resid 67 and name HG2%)
2.300 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.80223E-02 ppm1 4.114 ppm2 0.914 CV 1
ASSI { 1201}
(( segid "SUPR" and resid 67 and name HB ))
( segid "SUPR" and resid 67 and name HD1%)
3.500 1.500 1.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.22060E-02 ppm1 0.957 ppm2 0.795 CV 1
ASSI { 1202}
(( segid "SUPR" and resid 67 and name HB ))
(( segid "SUPR" and resid 67 and name HG11))
2.700 0.900 0.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.23466E-02 ppm1 0.966 ppm2 1.371 CV 1
ASSI { 1203}
(( segid "SUPR" and resid 67 and name HB ))
(( segid "SUPR" and resid 67 and name HG12))
2.600 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.21041E-02 ppm1 0.969 ppm2 1.182 CV 1
ASSI { 1204}
(( segid "SUPR" and resid 67 and name HB ))
( segid "SUPR" and resid 67 and name HG2%)
2.200 0.600 0.600 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.82723E-02 ppm1 0.982 ppm2 0.914 CV 1
ASSI { 1205}
(( segid "SUPR" and resid 67 and name HB ))
( segid "SUPR" and resid 78 and name HE% )
4.500 2.500 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.56980E-03 ppm1 0.955 ppm2 6.624 CV 1
ASSI { 1206}
( segid "SUPR" and resid 67 and name HD1%)
(( segid "RNA1" and resid 6 and name H1' ))
2.300 0.700 0.700 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.73561E-02 ppm1 0.805 ppm2 6.035 CV 1
ASSI { 1207}
( segid "SUPR" and resid 67 and name HD1%)
(( segid "RNA1" and resid 6 and name H4' ))
3.600 1.600 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.85816E-03 ppm1 0.794 ppm2 4.550 CV 1
ASSI { 1208}
( segid "SUPR" and resid 67 and name HD1%)
( segid "SUPR" and resid 65 and name HG2%)
2.200 2.200 3.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.12067E-01 ppm1 0.812 ppm2 0.926 CV 1
OR { 1208}
( segid "SUPR" and resid 67 and name HD1%)
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1210}
( segid "SUPR" and resid 67 and name HD1%)
(( segid "SUPR" and resid 67 and name HA ))
2.200 0.600 0.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.86348E-02 ppm1 0.804 ppm2 4.105 CV 1
ASSI { 1211}
( segid "SUPR" and resid 67 and name HD1%)
(( segid "SUPR" and resid 67 and name HG11))
2.400 0.700 0.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.47919E-02 ppm1 0.817 ppm2 1.370 CV 1
ASSI { 1213}
( segid "SUPR" and resid 67 and name HD1%)
( segid "SUPR" and resid 80 and name HD% )
2.800 1.000 1.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.22601E-02 ppm1 0.807 ppm2 6.628 CV 1
ASSI { 1214}
( segid "SUPR" and resid 67 and name HD1%)
( segid "SUPR" and resid 80 and name HE% )
3.600 1.600 1.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.89722E-03 ppm1 0.808 ppm2 7.215 CV 1
ASSI { 1215}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 73 and name HG2 ))
3.500 3.500 2.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11503E-02 ppm1 0.925 ppm2 2.310 CV 1
OR { 1215}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 73 and name HG1 ))
ASSI { 1216}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 78 and name HB2 ))
3.900 1.900 1.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.69007E-03 ppm1 0.926 ppm2 2.160 CV 1
ASSI { 1217}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "RNA1" and resid 6 and name H1' ))
3.400 1.400 1.400 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.15036E-02 ppm1 0.925 ppm2 6.035 CV 1
ASSI { 1219}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 67 and name HG11))
2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.35790E-02 ppm1 0.920 ppm2 1.381 CV 1
ASSI { 1220}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 67 and name HG12))
2.700 0.900 0.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10013E-01 ppm1 0.922 ppm2 1.198 CV 1
ASSI { 1221}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 76 and name HD1 ))
2.900 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 0.929 ppm2 3.381 CV 1
ASSI { 1222}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 76 and name HD2 ))
2.900 1.000 1.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.24658E-02 ppm1 0.925 ppm2 3.161 CV 1
ASSI { 1223}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 76 and name HG1 ))
3.500 1.500 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.18954E-02 ppm1 0.928 ppm2 1.699 CV 1
ASSI { 1224}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "SUPR" and resid 76 and name HG2 ))
3.800 1.800 1.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.22032E-02 ppm1 0.932 ppm2 1.575 CV 1
ASSI { 1225}
( segid "SUPR" and resid 67 and name HG2%)
( segid "SUPR" and resid 78 and name HE% )
3.600 1.600 1.600 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 0.916 ppm2 6.623 CV 1
ASSI { 1228}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 73 and name HA ))
4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.71666E-03 ppm1 4.844 ppm2 3.985 CV 1
ASSI { 1230}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 75 and name HB1 ))
3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.11138E-02 ppm1 4.848 ppm2 4.086 CV 1
ASSI { 1231}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 76 and name HG1 ))
2.900 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 4.814 ppm2 1.708 CV 1
ASSI { 1232}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 76 and name HG2 ))
4.200 2.200 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 4.818 ppm2 1.580 CV 1
ASSI { 1236}
(( segid "SUPR" and resid 68 and name HB ))
(( segid "SUPR" and resid 73 and name HG2 ))
4.000 2.000 2.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.63268E-03 ppm1 3.694 ppm2 2.301 CV 1
OR { 1236}
(( segid "SUPR" and resid 68 and name HB ))
(( segid "SUPR" and resid 73 and name HG1 ))
ASSI { 1237}
(( segid "SUPR" and resid 68 and name HB ))
(( segid "SUPR" and resid 75 and name HA ))
3.100 1.200 1.200 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 3.700 ppm2 4.202 CV 1
ASSI { 1238}
(( segid "SUPR" and resid 68 and name HB ))
(( segid "SUPR" and resid 75 and name HB1 ))
4.200 2.200 1.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.69875E-03 ppm1 3.710 ppm2 4.071 CV 1
ASSI { 1239}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 68 and name HA ))
2.200 0.600 0.600 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.98921E-02 ppm1 0.976 ppm2 4.816 CV 1
ASSI { 1240}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 68 and name HB ))
2.000 0.500 0.500 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.16934E-01 ppm1 0.985 ppm2 3.693 CV 1
ASSI { 1241}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 73 and name HA ))
3.400 1.400 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.39298E-02 ppm1 0.994 ppm2 3.978 CV 1
ASSI { 1242}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 75 and name HA ))
2.100 0.600 0.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.13081E-01 ppm1 0.989 ppm2 4.193 CV 1
ASSI { 1243}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 75 and name HB1 ))
3.300 1.400 1.400 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.28517E-02 ppm1 0.988 ppm2 4.070 CV 1
ASSI { 1244}
(( segid "SUPR" and resid 69 and name HA ))
(( segid "SUPR" and resid 69 and name HB1 ))
2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.57190E-02 ppm1 4.618 ppm2 2.500 CV 1
ASSI { 1247}
(( segid "SUPR" and resid 69 and name HB1 ))
(( segid "SUPR" and resid 69 and name HB2 ))
1.700 0.300 0.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.14678E-01 ppm1 2.515 ppm2 3.107 CV 1
ASSI { 1248}
(( segid "SUPR" and resid 69 and name HB1 ))
(( segid "SUPR" and resid 76 and name HD1 ))
4.800 2.800 1.200 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.58679E-03 ppm1 2.514 ppm2 3.394 CV 1
ASSI { 1249}
(( segid "SUPR" and resid 69 and name HB2 ))
(( segid "SUPR" and resid 69 and name HA ))
2.500 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.39105E-02 ppm1 3.158 ppm2 4.617 CV 1
ASSI { 1251}
(( segid "SUPR" and resid 70 and name HA ))
(( segid "SUPR" and resid 70 and name HB1 ))
2.200 0.600 0.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.12850E-01 ppm1 4.077 ppm2 1.854 CV 1
OR { 1251}
(( segid "SUPR" and resid 70 and name HA ))
(( segid "SUPR" and resid 70 and name HB2 ))
ASSI { 1253}
(( segid "SUPR" and resid 70 and name HD1 ))
(( segid "SUPR" and resid 70 and name HA ))
3.200 1.300 1.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.37976E-02 ppm1 3.213 ppm2 4.072 CV 1
OR { 1253}
(( segid "SUPR" and resid 70 and name HD2 ))
(( segid "SUPR" and resid 70 and name HA ))
ASSI { 1254}
(( segid "SUPR" and resid 70 and name HD1 ))
(( segid "SUPR" and resid 70 and name HB1 ))
2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.97955E-02 ppm1 3.213 ppm2 1.857 CV 1
OR { 1254}
(( segid "SUPR" and resid 70 and name HD1 ))
(( segid "SUPR" and resid 70 and name HB2 ))
OR { 1254}
(( segid "SUPR" and resid 70 and name HD2 ))
(( segid "SUPR" and resid 70 and name HB2 ))
OR { 1254}
(( segid "SUPR" and resid 70 and name HD2 ))
(( segid "SUPR" and resid 70 and name HB1 ))
ASSI { 1255}
(( segid "SUPR" and resid 70 and name HD2 ))
(( segid "SUPR" and resid 70 and name HG1 ))
2.100 0.500 0.500 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.15659E-01 ppm1 3.216 ppm2 1.700 CV 1
OR { 1255}
(( segid "SUPR" and resid 70 and name HD1 ))
(( segid "SUPR" and resid 70 and name HG2 ))
OR { 1255}
(( segid "SUPR" and resid 70 and name HD2 ))
(( segid "SUPR" and resid 70 and name HG2 ))
OR { 1255}
(( segid "SUPR" and resid 70 and name HD1 ))
(( segid "SUPR" and resid 70 and name HG1 ))
ASSI { 1256}
(( segid "SUPR" and resid 70 and name HG2 ))
(( segid "SUPR" and resid 70 and name HA ))
2.500 0.800 0.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.77791E-02 ppm1 1.713 ppm2 4.065 CV 1
OR { 1256}
(( segid "SUPR" and resid 70 and name HG1 ))
(( segid "SUPR" and resid 70 and name HA ))
ASSI { 1257}
(( segid "SUPR" and resid 70 and name HG2 ))
(( segid "SUPR" and resid 70 and name HB1 ))
1.700 0.400 0.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.53823E-01 ppm1 1.705 ppm2 1.857 CV 1
OR { 1257}
(( segid "SUPR" and resid 70 and name HG1 ))
(( segid "SUPR" and resid 70 and name HB2 ))
OR { 1257}
(( segid "SUPR" and resid 70 and name HG2 ))
(( segid "SUPR" and resid 70 and name HB2 ))
OR { 1257}
(( segid "SUPR" and resid 70 and name HG1 ))
(( segid "SUPR" and resid 70 and name HB1 ))
ASSI { 1260}
(( segid "SUPR" and resid 71 and name HB1 ))
(( segid "SUPR" and resid 71 and name HB2 ))
1.700 0.300 0.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.23067E-01 ppm1 2.847 ppm2 3.006 CV 1
ASSI { 1261}
(( segid "SUPR" and resid 71 and name HB1 ))
( segid "SUPR" and resid 72 and name HG2%)
3.200 1.200 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 2.867 ppm2 1.183 CV 1
ASSI { 1265}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 72 and name HA ))
2.000 0.500 0.500 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.16968E-01 ppm1 4.335 ppm2 4.373 CV 1
ASSI { 1267}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HB2 ))
4.600 2.600 1.400 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.45070E-03 ppm1 4.322 ppm2 1.843 CV 1
ASSI { 1268}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HD1 ))
3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.13344E-02 ppm1 4.339 ppm2 1.597 CV 1
OR { 1268}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HD2 ))
ASSI { 1269}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HE1 ))
4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.61636E-03 ppm1 4.336 ppm2 2.871 CV 1
ASSI { 1270}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HG1 ))
2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.18521E-02 ppm1 4.338 ppm2 1.410 CV 1
OR { 1270}
(( segid "SUPR" and resid 72 and name HB ))
(( segid "SUPR" and resid 74 and name HG2 ))
ASSI { 1271}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 72 and name HA ))
2.100 0.500 0.500 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.19353E-01 ppm1 1.187 ppm2 4.378 CV 1
ASSI { 1272}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 72 and name HB ))
1.900 0.500 0.500 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23429E-01 ppm1 1.193 ppm2 4.331 CV 1
ASSI { 1273}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 68 and name HB ))
2.200 0.600 0.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.58484E-02 ppm1 3.989 ppm2 3.686 CV 1
ASSI { 1275}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 69 and name HB1 ))
3.500 1.500 1.500 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.62235E-03 ppm1 3.985 ppm2 2.498 CV 1
ASSI { 1276}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 73 and name HB2 ))
2.300 0.600 0.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.81984E-02 ppm1 3.989 ppm2 2.385 CV 1
OR { 1276}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 73 and name HB1 ))
ASSI { 1277}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 73 and name HG2 ))
2.200 0.600 0.600 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.80034E-02 ppm1 3.987 ppm2 2.293 CV 1
OR { 1277}
(( segid "SUPR" and resid 73 and name HA ))
(( segid "SUPR" and resid 73 and name HG1 ))
ASSI { 1278}
(( segid "SUPR" and resid 73 and name HB2 ))
(( segid "SUPR" and resid 68 and name HB ))
3.400 1.400 1.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.93041E-03 ppm1 2.403 ppm2 3.689 CV 1
OR { 1278}
(( segid "SUPR" and resid 73 and name HB1 ))
(( segid "SUPR" and resid 68 and name HB ))
ASSI { 1279}
(( segid "SUPR" and resid 73 and name HB2 ))
( segid "SUPR" and resid 68 and name HG2%)
3.900 1.900 1.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.65878E-03 ppm1 2.384 ppm2 0.978 CV 1
OR { 1279}
(( segid "SUPR" and resid 73 and name HB1 ))
( segid "SUPR" and resid 68 and name HG2%)
ASSI { 1280}
(( segid "SUPR" and resid 73 and name HB1 ))
(( segid "SUPR" and resid 69 and name HB1 ))
3.600 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.24396E-02 ppm1 2.394 ppm2 2.497 CV 1
OR { 1280}
(( segid "SUPR" and resid 73 and name HB2 ))
(( segid "SUPR" and resid 69 and name HB1 ))
ASSI { 1282}
(( segid "SUPR" and resid 73 and name HB1 ))
(( segid "SUPR" and resid 73 and name HG1 ))
2.000 0.500 0.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.19411E-01 ppm1 2.394 ppm2 2.294 CV 1
OR { 1282}
(( segid "SUPR" and resid 73 and name HB2 ))
(( segid "SUPR" and resid 73 and name HG2 ))
OR { 1282}
(( segid "SUPR" and resid 73 and name HB2 ))
(( segid "SUPR" and resid 73 and name HG1 ))
OR { 1282}
(( segid "SUPR" and resid 73 and name HB1 ))
(( segid "SUPR" and resid 73 and name HG2 ))
ASSI { 1283}
(( segid "SUPR" and resid 73 and name HG2 ))
(( segid "SUPR" and resid 70 and name HA ))
3.100 1.200 1.200 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 2.295 ppm2 4.064 CV 1
OR { 1283}
(( segid "SUPR" and resid 73 and name HG1 ))
(( segid "SUPR" and resid 70 and name HA ))
ASSI { 1284}
(( segid "SUPR" and resid 73 and name HG1 ))
(( segid "SUPR" and resid 72 and name HA ))
3.200 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 2.305 ppm2 4.373 CV 1
ASSI { 1287}
(( segid "SUPR" and resid 74 and name HA ))
( segid "SUPR" and resid 68 and name HG2%)
3.700 1.700 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.77956E-03 ppm1 4.426 ppm2 0.969 CV 1
ASSI { 1288}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HB1 ))
2.300 0.700 0.700 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.58183E-02 ppm1 4.433 ppm2 1.630 CV 1
ASSI { 1289}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HB2 ))
2.600 0.900 0.900 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.69129E-02 ppm1 4.431 ppm2 1.849 CV 1
ASSI { 1290}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HD2 ))
3.500 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.27030E-02 ppm1 4.433 ppm2 1.582 CV 1
OR { 1290}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HD1 ))
ASSI { 1291}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HG2 ))
2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.35379E-02 ppm1 4.424 ppm2 1.409 CV 1
OR { 1291}
(( segid "SUPR" and resid 74 and name HA ))
(( segid "SUPR" and resid 74 and name HG1 ))
ASSI { 1293}
(( segid "SUPR" and resid 74 and name HB1 ))
(( segid "SUPR" and resid 74 and name HB2 ))
1.700 0.300 0.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.18318E-01 ppm1 1.644 ppm2 1.844 CV 1
ASSI { 1295}
(( segid "SUPR" and resid 74 and name HB1 ))
(( segid "SUPR" and resid 74 and name HE1 ))
4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.63066E-03 ppm1 1.615 ppm2 2.890 CV 1
ASSI { 1296}
(( segid "SUPR" and resid 74 and name HB1 ))
(( segid "SUPR" and resid 74 and name HG2 ))
2.600 0.800 0.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.41937E-02 ppm1 1.628 ppm2 1.410 CV 1
OR { 1296}
(( segid "SUPR" and resid 74 and name HB1 ))
(( segid "SUPR" and resid 74 and name HG1 ))
ASSI { 1299}
(( segid "SUPR" and resid 74 and name HB2 ))
(( segid "SUPR" and resid 74 and name HE1 ))
3.700 1.700 1.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.50259E-03 ppm1 1.822 ppm2 2.832 CV 1
ASSI { 1300}
(( segid "SUPR" and resid 74 and name HB2 ))
(( segid "SUPR" and resid 74 and name HG1 ))
2.600 0.800 0.800 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.37197E-02 ppm1 1.857 ppm2 1.403 CV 1
OR { 1300}
(( segid "SUPR" and resid 74 and name HB2 ))
(( segid "SUPR" and resid 74 and name HG2 ))
ASSI { 1301}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HB2 ))
2.800 1.000 1.000 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.43183E-02 ppm1 1.598 ppm2 1.847 CV 1
OR { 1301}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HB2 ))
ASSI { 1302}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HE1 ))
2.600 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.33242E-02 ppm1 1.581 ppm2 2.847 CV 1
OR { 1302}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HE1 ))
ASSI { 1303}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HE2 ))
2.600 0.800 0.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.41151E-02 ppm1 1.589 ppm2 2.895 CV 1
OR { 1303}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HE2 ))
ASSI { 1304}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HG2 ))
2.000 0.500 0.500 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.15455E-01 ppm1 1.595 ppm2 1.416 CV 1
OR { 1304}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HG2 ))
OR { 1304}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HG1 ))
OR { 1304}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HG1 ))
ASSI { 1305}
(( segid "SUPR" and resid 74 and name HE2 ))
(( segid "SUPR" and resid 74 and name HD2 ))
2.400 0.700 0.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.56167E-02 ppm1 2.879 ppm2 1.591 CV 1
OR { 1305}
(( segid "SUPR" and resid 74 and name HE1 ))
(( segid "SUPR" and resid 74 and name HD1 ))
OR { 1305}
(( segid "SUPR" and resid 74 and name HE1 ))
(( segid "SUPR" and resid 74 and name HD2 ))
OR { 1305}
(( segid "SUPR" and resid 74 and name HE2 ))
(( segid "SUPR" and resid 74 and name HD1 ))
ASSI { 1306}
(( segid "SUPR" and resid 74 and name HE1 ))
(( segid "SUPR" and resid 74 and name HG1 ))
2.800 1.000 1.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.28813E-02 ppm1 2.891 ppm2 1.399 CV 1
OR { 1306}
(( segid "SUPR" and resid 74 and name HE2 ))
(( segid "SUPR" and resid 74 and name HG1 ))
OR { 1306}
(( segid "SUPR" and resid 74 and name HE1 ))
(( segid "SUPR" and resid 74 and name HG2 ))
OR { 1306}
(( segid "SUPR" and resid 74 and name HE2 ))
(( segid "SUPR" and resid 74 and name HG2 ))
ASSI { 1310}
(( segid "SUPR" and resid 75 and name HA ))
( segid "SUPR" and resid 66 and name HG1%)
3.300 1.300 1.300 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.13358E-02 ppm1 4.210 ppm2 0.704 CV 1
ASSI { 1314}
(( segid "SUPR" and resid 75 and name HB2 ))
(( segid "SUPR" and resid 44 and name HB1 ))
3.700 1.800 1.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.48352E-03 ppm1 4.115 ppm2 2.761 CV 1
OR { 1314}
(( segid "SUPR" and resid 75 and name HB1 ))
(( segid "SUPR" and resid 44 and name HB1 ))
ASSI { 1315}
(( segid "SUPR" and resid 75 and name HB1 ))
(( segid "SUPR" and resid 44 and name HB2 ))
3.200 3.200 2.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.52711E-03 ppm1 4.046 ppm2 3.277 CV 1
ASSI { 1316}
(( segid "SUPR" and resid 75 and name HB1 ))
( segid "SUPR" and resid 44 and name HD% )
3.400 1.400 1.400 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.93530E-03 ppm1 4.083 ppm2 6.772 CV 1
ASSI { 1319}
(( segid "SUPR" and resid 75 and name HB1 ))
(( segid "SUPR" and resid 75 and name HB2 ))
1.900 0.400 0.400 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.10984E-01 ppm1 4.084 ppm2 4.200 CV 1
ASSI { 1320}
(( segid "SUPR" and resid 75 and name HB2 ))
(( segid "SUPR" and resid 44 and name HB2 ))
3.200 1.300 1.300 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.52875E-03 ppm1 4.209 ppm2 3.282 CV 1
ASSI { 1323}
(( segid "SUPR" and resid 76 and name HA ))
( segid "SUPR" and resid 44 and name HD% )
4.300 2.300 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.23357E-03 ppm1 4.557 ppm2 6.792 CV 1
ASSI { 1324}
(( segid "SUPR" and resid 76 and name HA ))
( segid "SUPR" and resid 44 and name HE% )
3.400 1.400 1.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 4.541 ppm2 5.951 CV 1
ASSI { 1325}
(( segid "SUPR" and resid 76 and name HA ))
(( segid "SUPR" and resid 76 and name HD1 ))
4.500 2.600 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.56607E-03 ppm1 4.560 ppm2 3.376 CV 1
ASSI { 1326}
(( segid "SUPR" and resid 76 and name HA ))
( segid "SUPR" and resid 78 and name HD% )
5.200 3.300 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.25307E-03 ppm1 4.549 ppm2 6.211 CV 1
ASSI { 1327}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 67 and name HG11))
4.100 2.100 1.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.91983E-03 ppm1 3.388 ppm2 1.358 CV 1
ASSI { 1328}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 78 and name HB1 ))
4.100 2.100 1.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.69802E-03 ppm1 3.385 ppm2 2.503 CV 1
ASSI { 1329}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 73 and name HG2 ))
2.900 2.900 3.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.94184E-03 ppm1 3.387 ppm2 2.308 CV 1
OR { 1329}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 73 and name HG1 ))
ASSI { 1334}
(( segid "SUPR" and resid 76 and name HD1 ))
( segid "SUPR" and resid 78 and name HE% )
3.900 1.900 1.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.56477E-03 ppm1 3.394 ppm2 6.621 CV 1
ASSI { 1338}
(( segid "SUPR" and resid 76 and name HD2 ))
( segid "SUPR" and resid 78 and name HE% )
4.300 2.300 1.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.76971E-03 ppm1 3.187 ppm2 6.629 CV 1
ASSI { 1339}
(( segid "SUPR" and resid 77 and name HA1 ))
( segid "SUPR" and resid 44 and name HD% )
3.900 1.900 1.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.51519E-03 ppm1 3.074 ppm2 6.765 CV 1
ASSI { 1340}
(( segid "SUPR" and resid 77 and name HA1 ))
( segid "SUPR" and resid 44 and name HE% )
3.500 1.500 1.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.76244E-03 ppm1 3.071 ppm2 5.949 CV 1
ASSI { 1341}
(( segid "SUPR" and resid 77 and name HA1 ))
(( segid "SUPR" and resid 77 and name HA2 ))
2.200 0.600 0.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.40846E-02 ppm1 3.074 ppm2 4.107 CV 1
ASSI { 1344}
(( segid "SUPR" and resid 77 and name HA2 ))
( segid "SUPR" and resid 44 and name HD% )
4.200 2.200 1.800 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.34229E-03 ppm1 4.122 ppm2 6.774 CV 1
ASSI { 1345}
(( segid "SUPR" and resid 77 and name HA2 ))
( segid "SUPR" and resid 44 and name HE% )
3.600 1.700 1.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 4.113 ppm2 5.945 CV 1
ASSI { 1347}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 40 and name HA1 ))
4.400 2.400 1.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.59451E-03 ppm1 4.910 ppm2 3.615 CV 1
ASSI { 1348}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 40 and name HA2 ))
2.900 1.000 1.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 4.920 ppm2 4.094 CV 1
ASSI { 1349}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 42 and name HB1 ))
3.300 3.300 2.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.45860E-03 ppm1 4.925 ppm2 1.091 CV 1
ASSI { 1350}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 42 and name HB2 ))
3.600 1.600 1.600 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.35546E-03 ppm1 4.919 ppm2 0.910 CV 1
ASSI { 1352}
(( segid "SUPR" and resid 78 and name HA ))
( segid "SUPR" and resid 42 and name HD2%)
3.800 1.800 1.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.39932E-03 ppm1 4.919 ppm2 0.627 CV 1
ASSI { 1353}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 42 and name HG ))
3.700 1.700 1.700 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.84288E-03 ppm1 4.919 ppm2 1.217 CV 1
ASSI { 1355}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 78 and name HB1 ))
2.700 0.900 0.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 4.927 ppm2 2.533 CV 1
ASSI { 1356}
(( segid "SUPR" and resid 78 and name HA ))
(( segid "SUPR" and resid 78 and name HB2 ))
3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 4.923 ppm2 2.165 CV 1
ASSI { 1357}
(( segid "SUPR" and resid 78 and name HB1 ))
(( segid "RNA1" and resid 4 and name H1' ))
4.300 2.300 1.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.33419E-03 ppm1 2.551 ppm2 6.221 CV 1
ASSI { 1358}
(( segid "SUPR" and resid 78 and name HB1 ))
(( segid "SUPR" and resid 78 and name HB2 ))
2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 2.541 ppm2 2.159 CV 1
ASSI { 1359}
(( segid "SUPR" and resid 78 and name HB1 ))
( segid "SUPR" and resid 78 and name HD% )
3.600 1.600 1.600 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.72852E-03 ppm1 2.537 ppm2 6.263 CV 1
ASSI { 1360}
(( segid "SUPR" and resid 78 and name HB2 ))
(( segid "SUPR" and resid 76 and name HD2 ))
4.400 2.400 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.43798E-03 ppm1 2.166 ppm2 3.170 CV 1
ASSI { 1361}
(( segid "SUPR" and resid 78 and name HB2 ))
(( segid "RNA1" and resid 4 and name H1' ))
4.900 2.900 1.100 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.40237E-03 ppm1 2.199 ppm2 6.225 CV 1
ASSI { 1367}
( segid "SUPR" and resid 78 and name HE% )
( segid "SUPR" and resid 78 and name HD% )
3.500 1.500 1.500 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 6.623 ppm2 6.222 CV 1
ASSI { 1368}
(( segid "SUPR" and resid 79 and name HA1 ))
( segid "SUPR" and resid 39 and name HG1%)
3.200 3.200 2.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 3.788 ppm2 0.642 CV 1
ASSI { 1369}
(( segid "SUPR" and resid 79 and name HA1 ))
( segid "SUPR" and resid 51 and name HD1%)
3.300 1.300 1.300 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.66232E-03 ppm1 3.788 ppm2 0.548 CV 1
ASSI { 1370}
(( segid "SUPR" and resid 79 and name HA1 ))
( segid "SUPR" and resid 65 and name HG2%)
4.200 2.200 1.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.63054E-03 ppm1 3.818 ppm2 0.944 CV 1
OR { 1370}
(( segid "SUPR" and resid 79 and name HA1 ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1371}
(( segid "SUPR" and resid 79 and name HA1 ))
(( segid "SUPR" and resid 66 and name HA ))
2.800 1.000 1.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.28680E-02 ppm1 3.792 ppm2 3.744 CV 1
ASSI { 1372}
(( segid "SUPR" and resid 79 and name HA1 ))
(( segid "SUPR" and resid 67 and name HG12))
4.500 2.500 1.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.74930E-03 ppm1 3.798 ppm2 1.176 CV 1
ASSI { 1373}
(( segid "SUPR" and resid 79 and name HA1 ))
(( segid "SUPR" and resid 79 and name HA2 ))
2.000 0.500 0.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.52975E-02 ppm1 3.799 ppm2 3.951 CV 1
ASSI { 1374}
(( segid "SUPR" and resid 79 and name HA2 ))
( segid "SUPR" and resid 51 and name HD1%)
4.300 2.300 1.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.67259E-03 ppm1 3.962 ppm2 0.537 CV 1
ASSI { 1375}
(( segid "SUPR" and resid 79 and name HA2 ))
( segid "SUPR" and resid 65 and name HG2%)
3.500 1.600 1.600 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.99837E-03 ppm1 3.961 ppm2 0.946 CV 1
OR { 1375}
(( segid "SUPR" and resid 79 and name HA2 ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1377}
(( segid "SUPR" and resid 79 and name HA2 ))
( segid "SUPR" and resid 67 and name HD1%)
4.300 2.400 1.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.44921E-03 ppm1 3.960 ppm2 0.789 CV 1
ASSI { 1378}
(( segid "SUPR" and resid 79 and name HA2 ))
(( segid "SUPR" and resid 67 and name HG11))
4.600 2.600 1.400 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.57853E-03 ppm1 3.974 ppm2 1.374 CV 1
ASSI { 1381}
(( segid "SUPR" and resid 80 and name HA ))
(( segid "SUPR" and resid 38 and name HA ))
3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.15229E-02 ppm1 5.553 ppm2 4.604 CV 1
ASSI { 1382}
(( segid "SUPR" and resid 80 and name HA ))
( segid "SUPR" and resid 39 and name HG1%)
3.300 3.300 2.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.48322E-03 ppm1 5.543 ppm2 0.678 CV 1
ASSI { 1384}
(( segid "SUPR" and resid 80 and name HA ))
(( segid "SUPR" and resid 80 and name HB1 ))
2.700 0.900 0.900 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.21366E-02 ppm1 5.543 ppm2 2.793 CV 1
ASSI { 1385}
(( segid "SUPR" and resid 80 and name HA ))
(( segid "SUPR" and resid 80 and name HB2 ))
3.200 1.300 1.300 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 5.550 ppm2 2.184 CV 1
ASSI { 1386}
(( segid "SUPR" and resid 80 and name HA ))
( segid "SUPR" and resid 80 and name HD% )
3.300 1.400 1.400 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.86335E-03 ppm1 5.541 ppm2 6.614 CV 1
ASSI { 1387}
(( segid "SUPR" and resid 80 and name HB1 ))
( segid "SUPR" and resid 65 and name HG1%)
3.900 1.900 1.900 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 2.803 ppm2 0.943 CV 1
OR { 1387}
(( segid "SUPR" and resid 80 and name HB1 ))
( segid "SUPR" and resid 65 and name HG2%)
ASSI { 1389}
(( segid "SUPR" and resid 80 and name HB1 ))
(( segid "SUPR" and resid 80 and name HB2 ))
2.000 0.500 0.500 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.60811E-02 ppm1 2.802 ppm2 2.181 CV 1
ASSI { 1390}
(( segid "SUPR" and resid 80 and name HB1 ))
( segid "SUPR" and resid 80 and name HD% )
3.000 1.100 1.100 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.15028E-02 ppm1 2.806 ppm2 6.621 CV 1
ASSI { 1391}
(( segid "SUPR" and resid 80 and name HB1 ))
( segid "SUPR" and resid 80 and name HE% )
4.700 2.700 1.300 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.46291E-03 ppm1 2.773 ppm2 7.186 CV 1
ASSI { 1392}
(( segid "SUPR" and resid 80 and name HB2 ))
( segid "SUPR" and resid 65 and name HG2%)
2.800 1.000 1.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.21976E-02 ppm1 2.191 ppm2 0.944 CV 1
OR { 1392}
(( segid "SUPR" and resid 80 and name HB2 ))
( segid "SUPR" and resid 65 and name HG1%)
ASSI { 1395}
(( segid "SUPR" and resid 80 and name HB2 ))
( segid "SUPR" and resid 80 and name HD% )
3.000 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 2.192 ppm2 6.611 CV 1
ASSI { 1396}
( segid "SUPR" and resid 80 and name HD% )
(( segid "SUPR" and resid 36 and name HE2 ))
3.800 1.800 1.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.47560E-03 ppm1 6.629 ppm2 2.353 CV 1
ASSI { 1397}
( segid "SUPR" and resid 80 and name HD% )
( segid "SUPR" and resid 38 and name HD% )
3.000 1.200 1.200 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.24668E-02 ppm1 6.617 ppm2 6.710 CV 1
ASSI { 1403}
( segid "SUPR" and resid 80 and name HD% )
( segid "SUPR" and resid 80 and name HE% )
3.000 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 6.620 ppm2 7.204 CV 1
ASSI { 1404}
( segid "SUPR" and resid 80 and name HD% )
( segid "SUPR" and resid 110 and name HB% )
3.400 1.400 1.400 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.85333E-03 ppm1 6.647 ppm2 1.658 CV 1
ASSI { 1405}
( segid "SUPR" and resid 80 and name HE% )
(( segid "RNA1" and resid 5 and name H1' ))
3.500 1.500 1.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.12316E-02 ppm1 7.219 ppm2 6.311 CV 1
ASSI { 1406}
( segid "SUPR" and resid 80 and name HE% )
( segid "SUPR" and resid 38 and name HD% )
3.400 1.400 1.400 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.72931E-03 ppm1 7.220 ppm2 6.726 CV 1
ASSI { 1410}
(( segid "SUPR" and resid 80 and name HZ ))
(( segid "RNA1" and resid 5 and name H1' ))
2.700 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.32578E-02 ppm1 7.270 ppm2 6.311 CV 1
ASSI { 1411}
(( segid "SUPR" and resid 80 and name HZ ))
(( segid "RNA1" and resid 5 and name H6 ))
4.200 2.200 1.800 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.53879E-03 ppm1 7.264 ppm2 6.974 CV 1
ASSI { 1412}
(( segid "SUPR" and resid 80 and name HZ ))
(( segid "RNA1" and resid 6 and name H8 ))
3.700 1.700 1.700 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 7.275 ppm2 7.772 CV 1
ASSI { 1414}
(( segid "SUPR" and resid 80 and name HZ ))
( segid "SUPR" and resid 38 and name HE% )
3.800 1.800 1.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.53888E-03 ppm1 7.285 ppm2 6.616 CV 1
ASSI { 1415}
(( segid "SUPR" and resid 81 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
4.000 2.000 2.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.59146E-03 ppm1 4.833 ppm2 0.601 CV 1
ASSI { 1416}
(( segid "SUPR" and resid 81 and name HA ))
(( segid "SUPR" and resid 64 and name HA ))
2.300 0.700 0.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.50653E-02 ppm1 4.823 ppm2 5.253 CV 1
ASSI { 1417}
(( segid "SUPR" and resid 81 and name HA ))
( segid "SUPR" and resid 64 and name HB% )
3.500 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.19814E-02 ppm1 4.819 ppm2 1.318 CV 1
ASSI { 1418}
(( segid "SUPR" and resid 81 and name HA ))
(( segid "SUPR" and resid 81 and name HB ))
3.100 1.200 1.200 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 4.818 ppm2 1.105 CV 1
ASSI { 1419}
(( segid "SUPR" and resid 81 and name HA ))
( segid "SUPR" and resid 81 and name HG1%)
2.500 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.40590E-02 ppm1 4.822 ppm2 0.537 CV 1
ASSI { 1420}
(( segid "SUPR" and resid 81 and name HA ))
( segid "SUPR" and resid 81 and name HG2%)
2.500 0.800 0.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.39033E-02 ppm1 4.821 ppm2 0.266 CV 1
ASSI { 1421}
(( segid "SUPR" and resid 81 and name HB ))
(( segid "SUPR" and resid 37 and name HB ))
2.500 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.31385E-02 ppm1 1.116 ppm2 1.886 CV 1
ASSI { 1422}
(( segid "SUPR" and resid 81 and name HB ))
( segid "SUPR" and resid 37 and name HG2%)
3.200 1.200 1.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.20675E-02 ppm1 1.117 ppm2 0.691 CV 1
ASSI { 1423}
(( segid "SUPR" and resid 81 and name HB ))
(( segid "SUPR" and resid 80 and name HA ))
4.400 2.400 1.600 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.55447E-03 ppm1 1.081 ppm2 5.535 CV 1
ASSI { 1424}
(( segid "SUPR" and resid 81 and name HB ))
( segid "SUPR" and resid 80 and name HD% )
4.400 2.400 1.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.53741E-03 ppm1 1.105 ppm2 6.587 CV 1
ASSI { 1425}
(( segid "SUPR" and resid 81 and name HB ))
( segid "SUPR" and resid 81 and name HG1%)
2.300 0.700 0.700 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.53747E-02 ppm1 1.115 ppm2 0.541 CV 1
ASSI { 1428}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 55 and name HB2 ))
2.900 1.000 1.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.27944E-02 ppm1 0.547 ppm2 3.255 CV 1
ASSI { 1429}
( segid "SUPR" and resid 81 and name HG1%)
( segid "SUPR" and resid 55 and name HD% )
2.800 1.000 1.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.18807E-02 ppm1 0.564 ppm2 7.767 CV 1
ASSI { 1430}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 64 and name HA ))
2.900 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.29348E-02 ppm1 0.555 ppm2 5.246 CV 1
ASSI { 1433}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 55 and name HB1 ))
2.800 1.000 1.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 0.545 ppm2 2.881 CV 1
ASSI { 1434}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 37 and name HB ))
3.900 1.900 1.900 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.12710E-02 ppm1 0.281 ppm2 1.895 CV 1
ASSI { 1435}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 37 and name HG2%)
2.600 2.600 3.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 0.275 ppm2 0.674 CV 1
ASSI { 1436}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 39 and name HB ))
2.800 1.000 1.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.31339E-02 ppm1 0.278 ppm2 1.453 CV 1
ASSI { 1439}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 55 and name HD% )
3.000 1.100 1.100 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 0.277 ppm2 7.768 CV 1
ASSI { 1440}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 55 and name HE% )
3.500 1.500 1.500 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.94593E-03 ppm1 0.280 ppm2 7.282 CV 1
ASSI { 1441}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 61 and name HD1%)
2.100 2.100 3.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.71764E-02 ppm1 0.287 ppm2 0.372 CV 1
ASSI { 1442}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 61 and name HG12))
3.500 3.500 2.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 0.278 ppm2 0.930 CV 1
ASSI { 1443}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 64 and name HA ))
2.600 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.37325E-02 ppm1 0.277 ppm2 5.254 CV 1
ASSI { 1444}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 64 and name HB% )
2.400 0.700 0.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.65908E-02 ppm1 0.278 ppm2 1.319 CV 1
ASSI { 1445}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 80 and name HA ))
3.900 1.900 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.48028E-03 ppm1 0.271 ppm2 5.539 CV 1
ASSI { 1446}
( segid "SUPR" and resid 81 and name HG2%)
(( segid "SUPR" and resid 81 and name HB ))
2.200 0.600 0.600 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.81592E-02 ppm1 0.280 ppm2 1.106 CV 1
ASSI { 1447}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 81 and name HG1%)
2.000 0.500 0.500 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.16346E-01 ppm1 0.280 ppm2 0.532 CV 1
ASSI { 1449}
( segid "SUPR" and resid 81 and name HG2%)
( segid "SUPR" and resid 83 and name HE% )
3.700 1.700 1.700 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 0.280 ppm2 1.938 CV 1
ASSI { 1451}
(( segid "SUPR" and resid 82 and name HA ))
(( segid "SUPR" and resid 36 and name HB1 ))
3.000 3.000 3.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.80321E-03 ppm1 5.244 ppm2 1.796 CV 1
ASSI { 1452}
(( segid "SUPR" and resid 82 and name HA ))
(( segid "SUPR" and resid 36 and name HB2 ))
4.100 2.100 1.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.57657E-03 ppm1 5.246 ppm2 2.080 CV 1
ASSI { 1453}
(( segid "SUPR" and resid 82 and name HA ))
(( segid "SUPR" and resid 36 and name HG1 ))
4.100 2.100 1.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.51454E-03 ppm1 5.236 ppm2 0.969 CV 1
ASSI { 1454}
(( segid "SUPR" and resid 82 and name HA ))
(( segid "SUPR" and resid 36 and name HG2 ))
4.400 2.500 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.54225E-03 ppm1 5.245 ppm2 1.423 CV 1
ASSI { 1455}
(( segid "SUPR" and resid 82 and name HA ))
( segid "SUPR" and resid 81 and name HG1%)
3.600 1.600 1.600 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.63476E-03 ppm1 5.227 ppm2 0.550 CV 1
ASSI { 1461}
(( segid "SUPR" and resid 82 and name HB ))
(( segid "SUPR" and resid 63 and name HB1 ))
2.600 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 3.932 ppm2 1.979 CV 1
ASSI { 1462}
(( segid "SUPR" and resid 82 and name HB ))
(( segid "SUPR" and resid 63 and name HB2 ))
3.600 1.700 1.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 3.929 ppm2 2.109 CV 1
ASSI { 1463}
(( segid "SUPR" and resid 82 and name HB ))
(( segid "SUPR" and resid 63 and name HG2 ))
4.200 2.200 1.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.49939E-03 ppm1 3.916 ppm2 2.369 CV 1
ASSI { 1465}
(( segid "SUPR" and resid 82 and name HB ))
( segid "SUPR" and resid 81 and name HG1%)
4.200 2.200 1.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.59088E-03 ppm1 3.956 ppm2 0.532 CV 1
ASSI { 1466}
(( segid "SUPR" and resid 82 and name HB ))
(( segid "SUPR" and resid 82 and name HA ))
2.900 1.000 1.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.22077E-02 ppm1 3.933 ppm2 5.232 CV 1
ASSI { 1468}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 82 and name HA ))
2.300 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.80896E-02 ppm1 1.179 ppm2 5.234 CV 1
ASSI { 1469}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 82 and name HB ))
2.100 0.500 0.500 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.14540E-01 ppm1 1.183 ppm2 3.919 CV 1
ASSI { 1471}
(( segid "SUPR" and resid 83 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
4.600 2.600 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.63390E-03 ppm1 5.094 ppm2 1.517 CV 1
ASSI { 1472}
(( segid "SUPR" and resid 83 and name HA ))
(( segid "SUPR" and resid 61 and name HG12))
4.000 2.000 2.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.69759E-03 ppm1 5.091 ppm2 0.931 CV 1
ASSI { 1474}
(( segid "SUPR" and resid 83 and name HA ))
( segid "SUPR" and resid 81 and name HG1%)
3.900 1.900 1.900 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.46124E-03 ppm1 5.105 ppm2 0.535 CV 1
ASSI { 1476}
(( segid "SUPR" and resid 83 and name HA ))
(( segid "SUPR" and resid 83 and name HB2 ))
3.300 1.300 1.300 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 5.102 ppm2 2.260 CV 1
ASSI { 1478}
(( segid "SUPR" and resid 83 and name HA ))
(( segid "SUPR" and resid 83 and name HG1 ))
3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.21845E-02 ppm1 5.102 ppm2 2.003 CV 1
ASSI { 1481}
(( segid "SUPR" and resid 83 and name HB1 ))
( segid "SUPR" and resid 37 and name HD1%)
4.000 2.000 2.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 2.565 ppm2 0.716 CV 1
ASSI { 1482}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 83 and name HA ))
2.400 0.700 0.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.26492E-02 ppm1 2.581 ppm2 5.095 CV 1
ASSI { 1483}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 83 and name HB2 ))
1.900 0.400 0.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.63549E-02 ppm1 2.569 ppm2 2.262 CV 1
ASSI { 1485}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 83 and name HG1 ))
2.500 0.800 0.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.47055E-02 ppm1 2.560 ppm2 2.007 CV 1
ASSI { 1488}
(( segid "SUPR" and resid 83 and name HB1 ))
( segid "SUPR" and resid 89 and name HB% )
3.700 1.700 1.700 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.19612E-02 ppm1 2.560 ppm2 1.589 CV 1
ASSI { 1489}
(( segid "SUPR" and resid 83 and name HB1 ))
( segid "SUPR" and resid 92 and name HB% )
4.100 2.100 1.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.72510E-03 ppm1 2.578 ppm2 1.405 CV 1
ASSI { 1492}
(( segid "SUPR" and resid 83 and name HB2 ))
( segid "SUPR" and resid 81 and name HG1%)
4.400 2.500 1.600 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.50370E-03 ppm1 2.277 ppm2 0.545 CV 1
ASSI { 1495}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 83 and name HG1 ))
2.300 0.600 0.600 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.41525E-02 ppm1 2.289 ppm2 2.013 CV 1
ASSI { 1496}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 88 and name HB1 ))
4.700 2.700 1.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.64502E-03 ppm1 2.281 ppm2 3.867 CV 1
ASSI { 1499}
(( segid "SUPR" and resid 83 and name HB2 ))
( segid "SUPR" and resid 92 and name HB% )
4.400 2.400 1.600 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.57445E-03 ppm1 2.260 ppm2 1.407 CV 1
ASSI { 1500}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 88 and name HB2 ))
2.500 0.800 0.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.61520E-02 ppm1 1.945 ppm2 4.058 CV 1
ASSI { 1504}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 55 and name HD% )
3.400 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.90944E-03 ppm1 1.944 ppm2 7.771 CV 1
ASSI { 1505}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 58 and name HB1 ))
3.100 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.49053E-02 ppm1 1.942 ppm2 2.883 CV 1
ASSI { 1506}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 58 and name HB2 ))
2.500 0.800 0.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.30492E-02 ppm1 1.942 ppm2 3.654 CV 1
ASSI { 1507}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 58 and name HD% )
3.400 1.500 1.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.13548E-02 ppm1 1.944 ppm2 7.361 CV 1
ASSI { 1509}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 61 and name HD1%)
2.700 0.900 0.900 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.14429E-02 ppm1 1.946 ppm2 0.354 CV 1
ASSI { 1510}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 61 and name HG11))
2.800 1.000 1.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.41833E-02 ppm1 1.944 ppm2 1.530 CV 1
ASSI { 1511}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 61 and name HG12))
2.500 0.800 0.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 1.942 ppm2 0.926 CV 1
ASSI { 1512}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 61 and name HG2%)
3.800 1.800 1.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.75095E-03 ppm1 1.950 ppm2 0.602 CV 1
ASSI { 1513}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 81 and name HG1%)
2.700 0.900 0.900 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.13798E-02 ppm1 1.955 ppm2 0.536 CV 1
ASSI { 1515}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 83 and name HA ))
3.000 1.100 1.100 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.30531E-02 ppm1 1.950 ppm2 5.098 CV 1
ASSI { 1516}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 83 and name HB1 ))
2.100 0.600 0.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.65572E-02 ppm1 1.955 ppm2 2.555 CV 1
ASSI { 1517}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 83 and name HB2 ))
3.300 1.400 1.400 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.53914E-02 ppm1 1.942 ppm2 2.253 CV 1
ASSI { 1518}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 88 and name HB1 ))
2.200 0.600 0.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.81152E-02 ppm1 1.946 ppm2 3.868 CV 1
ASSI { 1519}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 89 and name HA ))
2.800 1.000 1.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.37959E-02 ppm1 1.942 ppm2 4.111 CV 1
ASSI { 1520}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 89 and name HB% )
3.800 1.800 1.800 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 1.953 ppm2 1.579 CV 1
ASSI { 1521}
( segid "SUPR" and resid 83 and name HE% )
( segid "SUPR" and resid 92 and name HB% )
2.800 1.000 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.32088E-02 ppm1 1.942 ppm2 1.413 CV 1
ASSI { 1522}
(( segid "SUPR" and resid 84 and name HB1 ))
(( segid "SUPR" and resid 60 and name HB1 ))
3.100 1.200 1.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.31851E-02 ppm1 1.735 ppm2 2.544 CV 1
ASSI { 1523}
(( segid "SUPR" and resid 84 and name HB1 ))
(( segid "SUPR" and resid 60 and name HB2 ))
2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 1.735 ppm2 2.605 CV 1
ASSI { 1524}
(( segid "SUPR" and resid 84 and name HB1 ))
(( segid "SUPR" and resid 84 and name HA ))
2.600 0.800 0.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.60357E-02 ppm1 1.742 ppm2 4.100 CV 1
ASSI { 1525}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 60 and name HB1 ))
3.100 1.200 1.200 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 1.925 ppm2 2.549 CV 1
ASSI { 1526}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 60 and name HB2 ))
3.200 1.300 1.300 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 1.916 ppm2 2.596 CV 1
ASSI { 1527}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 84 and name HA ))
2.200 0.600 0.600 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.72565E-02 ppm1 1.916 ppm2 4.102 CV 1
ASSI { 1528}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 84 and name HG2 ))
2.500 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.48730E-02 ppm1 1.914 ppm2 1.375 CV 1
OR { 1528}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
ASSI { 1529}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 85 and name HB1 ))
4.000 2.000 2.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.14069E-02 ppm1 1.899 ppm2 2.984 CV 1
ASSI { 1530}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 60 and name HB1 ))
2.600 0.900 0.900 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.38766E-02 ppm1 1.735 ppm2 2.538 CV 1
OR { 1530}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 60 and name HB1 ))
ASSI { 1531}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HA ))
2.400 0.700 0.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.53557E-02 ppm1 1.382 ppm2 4.101 CV 1
OR { 1531}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HA ))
ASSI { 1533}
(( segid "SUPR" and resid 85 and name HA ))
(( segid "SUPR" and resid 85 and name HB2 ))
2.300 0.700 0.700 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.87491E-02 ppm1 4.902 ppm2 2.745 CV 1
ASSI { 1534}
(( segid "SUPR" and resid 85 and name HB1 ))
(( segid "SUPR" and resid 85 and name HA ))
2.300 0.700 0.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.88823E-02 ppm1 2.997 ppm2 4.892 CV 1
ASSI { 1535}
(( segid "SUPR" and resid 85 and name HB1 ))
(( segid "SUPR" and resid 85 and name HB2 ))
1.800 0.400 0.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.19329E-01 ppm1 2.999 ppm2 2.744 CV 1
ASSI { 1538}
(( segid "SUPR" and resid 86 and name HB2 ))
(( segid "SUPR" and resid 34 and name HB1 ))
2.800 1.000 1.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 1.907 ppm2 2.738 CV 1
ASSI { 1541}
(( segid "SUPR" and resid 86 and name HD2 ))
(( segid "SUPR" and resid 34 and name HB2 ))
2.600 2.600 3.400 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 2.998 ppm2 3.533 CV 1
OR { 1541}
(( segid "SUPR" and resid 86 and name HD1 ))
(( segid "SUPR" and resid 34 and name HB2 ))
ASSI { 1542}
(( segid "SUPR" and resid 86 and name HD1 ))
( segid "SUPR" and resid 34 and name HD% )
3.200 3.200 2.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.54574E-03 ppm1 2.990 ppm2 7.229 CV 1
OR { 1542}
(( segid "SUPR" and resid 86 and name HD2 ))
( segid "SUPR" and resid 34 and name HD% )
ASSI { 1543}
(( segid "SUPR" and resid 86 and name HD2 ))
( segid "SUPR" and resid 35 and name HG2%)
4.100 2.100 1.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.76629E-03 ppm1 2.996 ppm2 0.811 CV 1
OR { 1543}
(( segid "SUPR" and resid 86 and name HD1 ))
( segid "SUPR" and resid 35 and name HG2%)
ASSI { 1544}
(( segid "SUPR" and resid 86 and name HD2 ))
(( segid "SUPR" and resid 86 and name HA ))
3.600 1.600 1.600 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.13157E-02 ppm1 2.998 ppm2 4.077 CV 1
OR { 1544}
(( segid "SUPR" and resid 86 and name HD1 ))
(( segid "SUPR" and resid 86 and name HA ))
ASSI { 1545}
(( segid "SUPR" and resid 86 and name HD2 ))
(( segid "SUPR" and resid 86 and name HB2 ))
3.100 1.200 1.200 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.34312E-02 ppm1 3.004 ppm2 1.927 CV 1
OR { 1545}
(( segid "SUPR" and resid 86 and name HD1 ))
(( segid "SUPR" and resid 86 and name HB2 ))
ASSI { 1546}
(( segid "SUPR" and resid 86 and name HD1 ))
(( segid "SUPR" and resid 86 and name HG2 ))
2.500 0.800 0.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.47981E-02 ppm1 3.009 ppm2 1.832 CV 1
OR { 1546}
(( segid "SUPR" and resid 86 and name HD2 ))
(( segid "SUPR" and resid 86 and name HG2 ))
ASSI { 1547}
(( segid "SUPR" and resid 86 and name HD2 ))
(( segid "SUPR" and resid 86 and name HG1 ))
2.600 0.800 0.800 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.40157E-02 ppm1 3.026 ppm2 1.645 CV 1
ASSI { 1548}
(( segid "SUPR" and resid 86 and name HG1 ))
(( segid "SUPR" and resid 34 and name HB1 ))
3.300 1.300 1.300 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 1.653 ppm2 2.745 CV 1
ASSI { 1549}
(( segid "SUPR" and resid 86 and name HG1 ))
(( segid "SUPR" and resid 86 and name HA ))
3.300 1.400 1.400 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 1.676 ppm2 4.065 CV 1
ASSI { 1550}
(( segid "SUPR" and resid 86 and name HG1 ))
(( segid "SUPR" and resid 86 and name HD1 ))
2.700 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.30569E-02 ppm1 1.652 ppm2 2.976 CV 1
ASSI { 1552}
(( segid "SUPR" and resid 86 and name HG1 ))
(( segid "SUPR" and resid 86 and name HG2 ))
1.700 0.400 0.500 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.13691E-01 ppm1 1.650 ppm2 1.847 CV 1
ASSI { 1554}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 34 and name HB1 ))
3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 1.821 ppm2 2.736 CV 1
ASSI { 1556}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 86 and name HA ))
2.800 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 1.835 ppm2 4.076 CV 1
ASSI { 1557}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 86 and name HB2 ))
2.600 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.39202E-02 ppm1 1.835 ppm2 1.927 CV 1
ASSI { 1558}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 86 and name HD1 ))
2.600 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.29781E-02 ppm1 1.827 ppm2 2.973 CV 1
ASSI { 1559}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 86 and name HD2 ))
2.700 0.900 0.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.29966E-02 ppm1 1.827 ppm2 3.047 CV 1
ASSI { 1561}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 90 and name HB2 ))
4.000 2.000 2.000 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.47276E-03 ppm1 1.809 ppm2 2.239 CV 1
ASSI { 1562}
(( segid "SUPR" and resid 86 and name HG2 ))
(( segid "SUPR" and resid 90 and name HG2 ))
3.300 1.300 1.300 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.64826E-03 ppm1 1.830 ppm2 2.551 CV 1
ASSI { 1564}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 86 and name HD1 ))
3.300 1.300 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.92662E-03 ppm1 1.524 ppm2 2.982 CV 1
OR { 1564}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 86 and name HD2 ))
ASSI { 1565}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 87 and name HA ))
1.900 0.500 0.500 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.28231E-01 ppm1 1.537 ppm2 4.236 CV 1
ASSI { 1566}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 88 and name HA ))
3.500 1.500 1.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.13287E-02 ppm1 1.529 ppm2 4.341 CV 1
ASSI { 1567}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 90 and name HB2 ))
3.300 1.300 1.300 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 1.532 ppm2 2.234 CV 1
ASSI { 1568}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 90 and name HG2 ))
4.300 2.300 1.700 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.74789E-03 ppm1 1.516 ppm2 2.537 CV 1
ASSI { 1569}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 91 and name HB1 ))
4.100 2.100 1.900 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.97619E-03 ppm1 1.524 ppm2 2.333 CV 1
ASSI { 1570}
( segid "SUPR" and resid 87 and name HB% )
(( segid "SUPR" and resid 91 and name HG2 ))
2.900 2.900 3.100 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.38856E-02 ppm1 1.528 ppm2 2.081 CV 1
ASSI { 1571}
(( segid "SUPR" and resid 88 and name HA ))
(( segid "SUPR" and resid 88 and name HB1 ))
2.400 0.700 0.700 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.38189E-02 ppm1 4.341 ppm2 3.870 CV 1
ASSI { 1572}
(( segid "SUPR" and resid 88 and name HA ))
(( segid "SUPR" and resid 88 and name HB2 ))
3.000 1.100 1.100 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.27396E-02 ppm1 4.334 ppm2 4.062 CV 1
ASSI { 1577}
(( segid "SUPR" and resid 88 and name HB1 ))
(( segid "SUPR" and resid 88 and name HB2 ))
1.900 0.400 0.400 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.78200E-02 ppm1 3.877 ppm2 4.057 CV 1
ASSI { 1579}
(( segid "SUPR" and resid 88 and name HB2 ))
(( segid "SUPR" and resid 83 and name HB2 ))
3.800 1.800 1.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.53136E-03 ppm1 4.048 ppm2 2.271 CV 1
ASSI { 1584}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 37 and name HG12))
3.800 1.800 1.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.70456E-03 ppm1 4.115 ppm2 0.549 CV 1
ASSI { 1585}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 83 and name HB1 ))
3.100 1.200 1.200 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.36337E-02 ppm1 4.116 ppm2 2.561 CV 1
ASSI { 1586}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 83 and name HB2 ))
2.800 1.000 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.38154E-02 ppm1 4.117 ppm2 2.260 CV 1
ASSI { 1588}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 83 and name HG1 ))
2.900 1.100 1.100 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.99086E-03 ppm1 4.104 ppm2 1.992 CV 1
ASSI { 1589}
(( segid "SUPR" and resid 89 and name HA ))
( segid "SUPR" and resid 89 and name HB% )
2.100 0.600 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.83298E-02 ppm1 4.113 ppm2 1.587 CV 1
ASSI { 1590}
(( segid "SUPR" and resid 89 and name HA ))
( segid "SUPR" and resid 92 and name HB% )
2.500 0.800 0.800 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.47348E-02 ppm1 4.115 ppm2 1.412 CV 1
ASSI { 1591}
( segid "SUPR" and resid 89 and name HB% )
( segid "SUPR" and resid 109 and name HD2%)
2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.26656E-02 ppm1 1.598 ppm2 0.912 CV 1
ASSI { 1592}
( segid "SUPR" and resid 89 and name HB% )
(( segid "SUPR" and resid 83 and name HG1 ))
2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35120E-02 ppm1 1.599 ppm2 1.996 CV 1
ASSI { 1599}
( segid "SUPR" and resid 89 and name HB% )
(( segid "SUPR" and resid 37 and name HG12))
3.400 1.400 1.400 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.14102E-02 ppm1 1.593 ppm2 0.555 CV 1
ASSI { 1600}
( segid "SUPR" and resid 89 and name HB% )
( segid "SUPR" and resid 37 and name HG2%)
3.300 3.300 2.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.42976E-02 ppm1 1.593 ppm2 0.702 CV 1
ASSI { 1602}
( segid "SUPR" and resid 89 and name HB% )
(( segid "SUPR" and resid 83 and name HB2 ))
2.500 0.800 0.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.26503E-02 ppm1 1.588 ppm2 2.249 CV 1
ASSI { 1604}
(( segid "SUPR" and resid 90 and name HA ))
(( segid "SUPR" and resid 90 and name HB1 ))
2.300 0.700 0.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.72021E-02 ppm1 4.045 ppm2 2.093 CV 1
ASSI { 1605}
(( segid "SUPR" and resid 90 and name HA ))
(( segid "SUPR" and resid 90 and name HB2 ))
2.400 0.700 0.700 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.99556E-02 ppm1 4.048 ppm2 2.235 CV 1
ASSI { 1607}
(( segid "SUPR" and resid 90 and name HA ))
(( segid "SUPR" and resid 93 and name HB1 ))
2.900 1.000 1.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.16826E-02 ppm1 4.046 ppm2 3.041 CV 1
ASSI { 1608}
(( segid "SUPR" and resid 90 and name HA ))
(( segid "SUPR" and resid 93 and name HB2 ))
3.300 1.300 1.300 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 4.047 ppm2 2.808 CV 1
ASSI { 1609}
(( segid "SUPR" and resid 90 and name HB2 ))
(( segid "SUPR" and resid 87 and name HA ))
2.500 0.800 0.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.36980E-02 ppm1 2.235 ppm2 4.239 CV 1
ASSI { 1612}
(( segid "SUPR" and resid 90 and name HG1 ))
(( segid "SUPR" and resid 87 and name HA ))
3.000 1.200 1.200 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 2.239 ppm2 4.241 CV 1
ASSI { 1613}
(( segid "SUPR" and resid 90 and name HG1 ))
(( segid "SUPR" and resid 90 and name HA ))
2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.62602E-02 ppm1 2.252 ppm2 4.041 CV 1
ASSI { 1614}
(( segid "SUPR" and resid 90 and name HG1 ))
(( segid "SUPR" and resid 90 and name HG2 ))
1.700 0.400 0.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.16760E-01 ppm1 2.252 ppm2 2.553 CV 1
ASSI { 1615}
(( segid "SUPR" and resid 90 and name HG2 ))
(( segid "SUPR" and resid 86 and name HG1 ))
3.700 1.700 1.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.78176E-03 ppm1 2.556 ppm2 1.647 CV 1
ASSI { 1616}
(( segid "SUPR" and resid 90 and name HG2 ))
(( segid "SUPR" and resid 87 and name HA ))
3.300 1.300 1.300 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 2.558 ppm2 4.245 CV 1
ASSI { 1617}
(( segid "SUPR" and resid 90 and name HG2 ))
( segid "SUPR" and resid 89 and name HB% )
3.800 1.800 1.800 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.48061E-03 ppm1 2.547 ppm2 1.593 CV 1
ASSI { 1618}
(( segid "SUPR" and resid 90 and name HG2 ))
(( segid "SUPR" and resid 90 and name HA ))
2.700 0.900 0.900 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.33967E-02 ppm1 2.576 ppm2 4.046 CV 1
ASSI { 1619}
(( segid "SUPR" and resid 90 and name HG2 ))
(( segid "SUPR" and resid 90 and name HB2 ))
1.900 0.500 0.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.22609E-01 ppm1 2.556 ppm2 2.238 CV 1
ASSI { 1620}
(( segid "SUPR" and resid 91 and name HA ))
(( segid "SUPR" and resid 91 and name HB1 ))
2.600 0.900 0.900 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.28327E-02 ppm1 3.982 ppm2 2.346 CV 1
ASSI { 1621}
(( segid "SUPR" and resid 91 and name HA ))
(( segid "SUPR" and resid 91 and name HB2 ))
2.600 0.900 0.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.53356E-02 ppm1 3.985 ppm2 2.071 CV 1
ASSI { 1624}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 58 and name HB1 ))
3.400 1.500 1.500 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.69368E-03 ppm1 2.360 ppm2 2.885 CV 1
ASSI { 1626}
(( segid "SUPR" and resid 91 and name HB1 ))
( segid "SUPR" and resid 58 and name HD% )
3.200 1.300 1.300 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.84129E-03 ppm1 2.347 ppm2 7.353 CV 1
ASSI { 1627}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 88 and name HA ))
3.800 1.800 1.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 2.352 ppm2 4.337 CV 1
ASSI { 1629}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 91 and name HB2 ))
1.900 0.400 0.400 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.82521E-02 ppm1 2.350 ppm2 2.061 CV 1
ASSI { 1631}
(( segid "SUPR" and resid 91 and name HB1 ))
(( segid "SUPR" and resid 91 and name HD2 ))
3.200 1.300 1.300 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 2.343 ppm2 3.592 CV 1
ASSI { 1634}
(( segid "SUPR" and resid 91 and name HB2 ))
( segid "SUPR" and resid 58 and name HD% )
3.500 1.500 1.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.11875E-02 ppm1 2.050 ppm2 7.348 CV 1
ASSI { 1635}
(( segid "SUPR" and resid 91 and name HB2 ))
(( segid "SUPR" and resid 88 and name HA ))
2.800 2.800 3.200 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 2.065 ppm2 4.333 CV 1
ASSI { 1639}
(( segid "SUPR" and resid 91 and name HB2 ))
(( segid "SUPR" and resid 91 and name HD2 ))
3.100 1.200 1.200 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.20089E-02 ppm1 2.067 ppm2 3.590 CV 1
ASSI { 1640}
(( segid "SUPR" and resid 91 and name HB2 ))
(( segid "SUPR" and resid 91 and name HG1 ))
2.400 0.700 0.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.42274E-02 ppm1 2.073 ppm2 1.722 CV 1
ASSI { 1641}
(( segid "SUPR" and resid 91 and name HD1 ))
(( segid "SUPR" and resid 91 and name HA ))
3.500 1.500 1.500 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.12005E-02 ppm1 3.420 ppm2 3.978 CV 1
ASSI { 1642}
(( segid "SUPR" and resid 91 and name HD1 ))
(( segid "SUPR" and resid 91 and name HB1 ))
2.900 1.100 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.19755E-02 ppm1 3.430 ppm2 2.341 CV 1
ASSI { 1643}
(( segid "SUPR" and resid 91 and name HD1 ))
(( segid "SUPR" and resid 91 and name HB2 ))
2.800 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.34919E-02 ppm1 3.431 ppm2 2.065 CV 1
ASSI { 1644}
(( segid "SUPR" and resid 91 and name HD1 ))
(( segid "SUPR" and resid 91 and name HD2 ))
1.700 0.300 0.500 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.18354E-01 ppm1 3.431 ppm2 3.587 CV 1
ASSI { 1645}
(( segid "SUPR" and resid 91 and name HD1 ))
(( segid "SUPR" and resid 91 and name HG1 ))
2.700 0.900 0.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.34815E-02 ppm1 3.431 ppm2 1.722 CV 1
ASSI { 1646}
(( segid "SUPR" and resid 91 and name HD2 ))
(( segid "SUPR" and resid 91 and name HA ))
3.900 1.900 1.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.82411E-03 ppm1 3.607 ppm2 3.977 CV 1
ASSI { 1649}
(( segid "SUPR" and resid 91 and name HD2 ))
(( segid "SUPR" and resid 91 and name HG1 ))
2.400 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.48832E-02 ppm1 3.599 ppm2 1.724 CV 1
ASSI { 1650}
(( segid "SUPR" and resid 91 and name HD2 ))
(( segid "SUPR" and resid 91 and name HG2 ))
2.600 0.800 0.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.40769E-02 ppm1 3.597 ppm2 2.080 CV 1
ASSI { 1654}
(( segid "SUPR" and resid 91 and name HG1 ))
(( segid "SUPR" and resid 91 and name HG2 ))
1.800 0.400 0.400 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11697E-01 ppm1 1.735 ppm2 2.081 CV 1
ASSI { 1655}
(( segid "SUPR" and resid 91 and name HG2 ))
(( segid "SUPR" and resid 91 and name HA ))
2.600 0.900 0.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.31005E-02 ppm1 2.098 ppm2 3.973 CV 1
ASSI { 1656}
(( segid "SUPR" and resid 91 and name HG2 ))
(( segid "SUPR" and resid 91 and name HD1 ))
2.800 1.000 1.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 2.097 ppm2 3.417 CV 1
ASSI { 1659}
(( segid "SUPR" and resid 92 and name HA ))
(( segid "SUPR" and resid 58 and name HB1 ))
3.700 1.700 1.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.60959E-03 ppm1 1.971 ppm2 2.904 CV 1
ASSI { 1660}
(( segid "SUPR" and resid 92 and name HA ))
( segid "SUPR" and resid 58 and name HD% )
3.300 1.400 1.400 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.10123E-02 ppm1 1.960 ppm2 7.357 CV 1
ASSI { 1661}
(( segid "SUPR" and resid 92 and name HA ))
( segid "SUPR" and resid 58 and name HE% )
3.300 1.400 1.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 1.962 ppm2 6.957 CV 1
ASSI { 1664}
( segid "SUPR" and resid 92 and name HB% )
( segid "SUPR" and resid 37 and name HG2%)
2.500 0.800 0.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.58220E-02 ppm1 1.425 ppm2 0.700 CV 1
ASSI { 1668}
( segid "SUPR" and resid 92 and name HB% )
( segid "SUPR" and resid 55 and name HD% )
2.500 0.800 0.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.44509E-02 ppm1 1.423 ppm2 7.768 CV 1
ASSI { 1670}
( segid "SUPR" and resid 92 and name HB% )
(( segid "SUPR" and resid 58 and name HB2 ))
2.900 1.000 1.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.22545E-02 ppm1 1.425 ppm2 3.657 CV 1
ASSI { 1671}
( segid "SUPR" and resid 92 and name HB% )
( segid "SUPR" and resid 58 and name HD% )
2.800 1.000 1.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.32280E-02 ppm1 1.423 ppm2 7.345 CV 1
ASSI { 1672}
( segid "SUPR" and resid 92 and name HB% )
( segid "SUPR" and resid 58 and name HE% )
3.700 1.700 1.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.78976E-03 ppm1 1.425 ppm2 6.959 CV 1
ASSI { 1676}
( segid "SUPR" and resid 92 and name HB% )
(( segid "SUPR" and resid 91 and name HB1 ))
4.400 2.400 1.600 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.69814E-03 ppm1 1.427 ppm2 2.342 CV 1
ASSI { 1677}
( segid "SUPR" and resid 92 and name HB% )
(( segid "SUPR" and resid 92 and name HA ))
2.100 0.600 0.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.13459E-01 ppm1 1.422 ppm2 1.950 CV 1
ASSI { 1678}
(( segid "SUPR" and resid 93 and name HA ))
(( segid "SUPR" and resid 93 and name HB1 ))
2.800 1.000 1.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.51556E-02 ppm1 4.265 ppm2 3.042 CV 1
ASSI { 1679}
(( segid "SUPR" and resid 93 and name HA ))
(( segid "SUPR" and resid 93 and name HB2 ))
2.500 0.800 0.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.39197E-02 ppm1 4.267 ppm2 2.809 CV 1
ASSI { 1680}
(( segid "SUPR" and resid 93 and name HA ))
(( segid "SUPR" and resid 107 and name HB ))
3.900 1.900 1.900 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 4.267 ppm2 2.006 CV 1
ASSI { 1681}
(( segid "SUPR" and resid 93 and name HA ))
( segid "SUPR" and resid 107 and name HG1%)
2.900 1.000 1.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.23005E-02 ppm1 4.307 ppm2 1.026 CV 1
ASSI { 1684}
(( segid "SUPR" and resid 93 and name HB1 ))
(( segid "SUPR" and resid 93 and name HB2 ))
1.900 0.500 0.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.86195E-02 ppm1 3.053 ppm2 2.809 CV 1
ASSI { 1688}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 93 and name HB1 ))
4.000 2.000 2.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.39280E-03 ppm1 3.903 ppm2 3.045 CV 1
ASSI { 1689}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 93 and name HB2 ))
4.500 2.600 1.500 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.58319E-03 ppm1 3.890 ppm2 2.800 CV 1
ASSI { 1690}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 94 and name HB1 ))
2.500 0.800 0.800 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.61642E-02 ppm1 3.893 ppm2 1.820 CV 1
ASSI { 1691}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 94 and name HB2 ))
2.300 0.700 0.700 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.83670E-02 ppm1 3.895 ppm2 1.901 CV 1
ASSI { 1693}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 94 and name HG1 ))
3.200 1.300 1.300 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.22845E-02 ppm1 3.891 ppm2 1.554 CV 1
ASSI { 1694}
(( segid "SUPR" and resid 94 and name HA ))
(( segid "SUPR" and resid 94 and name HG2 ))
3.300 1.300 1.300 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.18407E-02 ppm1 3.894 ppm2 1.597 CV 1
ASSI { 1695}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 91 and name HA ))
2.700 0.900 0.900 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 1.574 ppm2 3.974 CV 1
OR { 1695}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 91 and name HA ))
ASSI { 1696}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 91 and name HG1 ))
1.800 1.800 4.200 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.19907E-01 ppm1 1.562 ppm2 1.715 CV 1
OR { 1696}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 91 and name HG1 ))
ASSI { 1697}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 94 and name HA ))
2.600 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.73084E-02 ppm1 1.578 ppm2 3.885 CV 1
OR { 1697}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 94 and name HA ))
ASSI { 1698}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 94 and name HB1 ))
2.300 0.700 0.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.71208E-02 ppm1 1.567 ppm2 1.814 CV 1
OR { 1698}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 94 and name HB1 ))
ASSI { 1699}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 94 and name HB2 ))
2.300 0.700 0.700 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.79068E-02 ppm1 1.567 ppm2 1.900 CV 1
OR { 1699}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 94 and name HB2 ))
ASSI { 1700}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 94 and name HE2 ))
2.600 0.900 0.900 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.50143E-02 ppm1 1.562 ppm2 3.008 CV 1
OR { 1700}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 94 and name HE1 ))
OR { 1700}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 94 and name HE2 ))
OR { 1700}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 94 and name HE1 ))
ASSI { 1701}
(( segid "SUPR" and resid 95 and name HA ))
(( segid "SUPR" and resid 95 and name HB1 ))
2.900 1.000 1.000 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.40481E-02 ppm1 5.142 ppm2 2.483 CV 1
ASSI { 1702}
(( segid "SUPR" and resid 95 and name HA ))
(( segid "SUPR" and resid 95 and name HB2 ))
2.700 0.900 0.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.24491E-02 ppm1 5.143 ppm2 2.808 CV 1
ASSI { 1703}
(( segid "SUPR" and resid 95 and name HA ))
(( segid "SUPR" and resid 96 and name HD1 ))
2.500 0.800 0.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.71593E-02 ppm1 5.145 ppm2 4.103 CV 1
ASSI { 1707}
(( segid "SUPR" and resid 95 and name HB1 ))
(( segid "SUPR" and resid 95 and name HB2 ))
1.900 0.400 0.400 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.12854E-01 ppm1 2.495 ppm2 2.811 CV 1
ASSI { 1710}
(( segid "SUPR" and resid 96 and name HA ))
(( segid "SUPR" and resid 96 and name HB1 ))
2.300 0.600 0.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.67149E-02 ppm1 4.673 ppm2 2.502 CV 1
ASSI { 1711}
(( segid "SUPR" and resid 96 and name HA ))
(( segid "SUPR" and resid 96 and name HB2 ))
2.700 0.900 0.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.51237E-02 ppm1 4.672 ppm2 2.149 CV 1
ASSI { 1712}
(( segid "SUPR" and resid 96 and name HA ))
(( segid "SUPR" and resid 96 and name HG2 ))
3.700 1.700 1.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.17476E-02 ppm1 4.669 ppm2 2.081 CV 1
OR { 1712}
(( segid "SUPR" and resid 96 and name HA ))
(( segid "SUPR" and resid 96 and name HG1 ))
ASSI { 1713}
(( segid "SUPR" and resid 96 and name HA ))
(( segid "SUPR" and resid 107 and name HB ))
2.700 0.900 0.900 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.29721E-02 ppm1 4.673 ppm2 2.006 CV 1
ASSI { 1714}
(( segid "SUPR" and resid 96 and name HA ))
( segid "SUPR" and resid 107 and name HG2%)
3.500 1.600 1.600 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.17791E-02 ppm1 4.677 ppm2 1.019 CV 1
ASSI { 1715}
(( segid "SUPR" and resid 96 and name HB1 ))
(( segid "SUPR" and resid 96 and name HB2 ))
1.800 0.400 0.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.13853E-01 ppm1 2.511 ppm2 2.150 CV 1
ASSI { 1719}
(( segid "SUPR" and resid 96 and name HD1 ))
(( segid "SUPR" and resid 96 and name HB1 ))
3.000 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.17998E-02 ppm1 4.109 ppm2 2.493 CV 1
ASSI { 1720}
(( segid "SUPR" and resid 96 and name HD1 ))
(( segid "SUPR" and resid 96 and name HB2 ))
4.300 2.300 1.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.88848E-03 ppm1 4.111 ppm2 2.154 CV 1
ASSI { 1721}
(( segid "SUPR" and resid 96 and name HD1 ))
(( segid "SUPR" and resid 96 and name HD2 ))
1.800 0.400 0.400 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.10566E-01 ppm1 4.119 ppm2 3.991 CV 1
ASSI { 1722}
(( segid "SUPR" and resid 96 and name HD1 ))
(( segid "SUPR" and resid 96 and name HG2 ))
2.500 0.800 0.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.47569E-02 ppm1 4.112 ppm2 2.083 CV 1
OR { 1722}
(( segid "SUPR" and resid 96 and name HD1 ))
(( segid "SUPR" and resid 96 and name HG1 ))
ASSI { 1723}
(( segid "SUPR" and resid 96 and name HD2 ))
(( segid "SUPR" and resid 95 and name HA ))
2.200 0.600 0.600 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.71104E-02 ppm1 4.010 ppm2 5.130 CV 1
ASSI { 1724}
(( segid "SUPR" and resid 96 and name HD2 ))
(( segid "SUPR" and resid 96 and name HB1 ))
3.800 1.800 1.800 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 4.006 ppm2 2.497 CV 1
ASSI { 1726}
(( segid "SUPR" and resid 96 and name HD2 ))
(( segid "SUPR" and resid 96 and name HG1 ))
2.400 0.700 0.700 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.51598E-02 ppm1 4.001 ppm2 2.080 CV 1
OR { 1726}
(( segid "SUPR" and resid 96 and name HD2 ))
(( segid "SUPR" and resid 96 and name HG2 ))
ASSI { 1727}
(( segid "SUPR" and resid 96 and name HG2 ))
(( segid "SUPR" and resid 95 and name HA ))
4.300 2.300 1.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.17336E-02 ppm1 2.101 ppm2 5.135 CV 1
OR { 1727}
(( segid "SUPR" and resid 96 and name HG1 ))
(( segid "SUPR" and resid 95 and name HA ))
ASSI { 1728}
(( segid "SUPR" and resid 96 and name HG2 ))
(( segid "SUPR" and resid 96 and name HB1 ))
2.400 0.700 0.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.63384E-02 ppm1 2.093 ppm2 2.499 CV 1
OR { 1728}
(( segid "SUPR" and resid 96 and name HG1 ))
(( segid "SUPR" and resid 96 and name HB1 ))
ASSI { 1729}
(( segid "SUPR" and resid 96 and name HG1 ))
(( segid "SUPR" and resid 96 and name HB2 ))
2.300 0.700 0.700 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.76458E-02 ppm1 2.097 ppm2 2.156 CV 1
OR { 1729}
(( segid "SUPR" and resid 96 and name HG2 ))
(( segid "SUPR" and resid 96 and name HB2 ))
ASSI { 1734}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 97 and name HB1 ))
2.700 0.900 0.900 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.25594E-02 ppm1 5.912 ppm2 2.439 CV 1
ASSI { 1735}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 97 and name HB2 ))
2.800 1.000 1.000 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.37115E-02 ppm1 5.919 ppm2 2.778 CV 1
ASSI { 1736}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 98 and name HD1 ))
2.900 1.000 1.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 5.920 ppm2 3.577 CV 1
ASSI { 1737}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 98 and name HD2 ))
2.400 0.700 0.700 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.37266E-02 ppm1 5.907 ppm2 3.126 CV 1
ASSI { 1739}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 106 and name HA ))
2.700 0.900 0.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.29953E-02 ppm1 5.919 ppm2 5.481 CV 1
ASSI { 1740}
(( segid "SUPR" and resid 97 and name HA ))
( segid "SUPR" and resid 107 and name HG2%)
4.100 2.100 1.900 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.66831E-03 ppm1 5.936 ppm2 1.011 CV 1
ASSI { 1742}
(( segid "SUPR" and resid 97 and name HB1 ))
(( segid "SUPR" and resid 97 and name HB2 ))
1.700 0.400 0.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.17323E-01 ppm1 2.459 ppm2 2.775 CV 1
ASSI { 1745}
(( segid "SUPR" and resid 98 and name HA ))
( segid "SUPR" and resid 54 and name HE% )
4.800 2.800 1.200 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.38780E-03 ppm1 4.446 ppm2 6.467 CV 1
ASSI { 1746}
(( segid "SUPR" and resid 98 and name HA ))
(( segid "SUPR" and resid 97 and name HA ))
3.800 1.800 1.800 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.61996E-03 ppm1 4.439 ppm2 5.908 CV 1
ASSI { 1747}
(( segid "SUPR" and resid 98 and name HA ))
(( segid "SUPR" and resid 98 and name HB1 ))
2.400 0.700 0.700 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.44285E-02 ppm1 4.449 ppm2 2.120 CV 1
ASSI { 1748}
(( segid "SUPR" and resid 98 and name HA ))
(( segid "SUPR" and resid 98 and name HB2 ))
2.700 0.900 0.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.39722E-02 ppm1 4.447 ppm2 1.538 CV 1
ASSI { 1749}
(( segid "SUPR" and resid 98 and name HA ))
(( segid "SUPR" and resid 98 and name HD1 ))
3.600 1.600 1.600 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.82527E-03 ppm1 4.433 ppm2 3.577 CV 1
ASSI { 1750}
(( segid "SUPR" and resid 98 and name HA ))
(( segid "SUPR" and resid 98 and name HD2 ))
3.900 1.900 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.62437E-03 ppm1 4.450 ppm2 3.128 CV 1
ASSI { 1751}
(( segid "SUPR" and resid 98 and name HB1 ))
( segid "SUPR" and resid 54 and name HE% )
3.800 1.800 1.800 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.58822E-03 ppm1 2.133 ppm2 6.461 CV 1
ASSI { 1753}
(( segid "SUPR" and resid 98 and name HB1 ))
(( segid "SUPR" and resid 98 and name HB2 ))
2.000 0.500 0.500 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.56057E-02 ppm1 2.134 ppm2 1.543 CV 1
ASSI { 1755}
(( segid "SUPR" and resid 98 and name HB1 ))
(( segid "SUPR" and resid 98 and name HD2 ))
4.200 2.200 1.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.75749E-03 ppm1 2.140 ppm2 3.128 CV 1
ASSI { 1762}
(( segid "SUPR" and resid 98 and name HD1 ))
(( segid "SUPR" and resid 98 and name HB1 ))
3.400 1.500 1.500 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.93951E-03 ppm1 3.601 ppm2 2.126 CV 1
ASSI { 1763}
(( segid "SUPR" and resid 98 and name HD1 ))
(( segid "SUPR" and resid 98 and name HB2 ))
3.700 1.700 1.700 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.16561E-02 ppm1 3.588 ppm2 1.555 CV 1
ASSI { 1764}
(( segid "SUPR" and resid 98 and name HD1 ))
(( segid "SUPR" and resid 98 and name HD2 ))
2.000 0.500 0.500 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.60718E-02 ppm1 3.585 ppm2 3.131 CV 1
ASSI { 1765}
(( segid "SUPR" and resid 98 and name HD1 ))
(( segid "SUPR" and resid 98 and name HG1 ))
2.700 0.900 0.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.15832E-02 ppm1 3.582 ppm2 1.939 CV 1
ASSI { 1766}
(( segid "SUPR" and resid 98 and name HD1 ))
( segid "SUPR" and resid 105 and name HB% )
4.600 2.600 1.400 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.69576E-03 ppm1 3.597 ppm2 1.282 CV 1
ASSI { 1772}
(( segid "SUPR" and resid 98 and name HD2 ))
(( segid "SUPR" and resid 98 and name HB2 ))
3.800 1.800 1.800 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 3.151 ppm2 1.550 CV 1
ASSI { 1774}
(( segid "SUPR" and resid 98 and name HD2 ))
(( segid "SUPR" and resid 98 and name HG1 ))
3.200 1.300 1.300 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 3.138 ppm2 1.936 CV 1
ASSI { 1776}
(( segid "SUPR" and resid 98 and name HD2 ))
(( segid "SUPR" and resid 106 and name HA ))
3.400 1.400 1.400 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.86109E-03 ppm1 3.127 ppm2 5.482 CV 1
ASSI { 1777}
(( segid "SUPR" and resid 98 and name HD2 ))
(( segid "SUPR" and resid 107 and name HB ))
3.900 1.900 1.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.63194E-03 ppm1 3.142 ppm2 2.013 CV 1
ASSI { 1779}
(( segid "SUPR" and resid 98 and name HG1 ))
( segid "SUPR" and resid 54 and name HE% )
3.700 1.700 1.700 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.82607E-03 ppm1 1.973 ppm2 6.459 CV 1
ASSI { 1780}
(( segid "SUPR" and resid 98 and name HG1 ))
(( segid "SUPR" and resid 97 and name HA ))
4.900 3.000 1.100 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.53463E-03 ppm1 1.964 ppm2 5.912 CV 1
ASSI { 1781}
(( segid "SUPR" and resid 98 and name HG1 ))
(( segid "SUPR" and resid 98 and name HB1 ))
2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.24146E-02 ppm1 1.951 ppm2 2.121 CV 1
ASSI { 1784}
(( segid "SUPR" and resid 98 and name HG1 ))
(( segid "SUPR" and resid 98 and name HG2 ))
2.000 0.500 0.500 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.44283E-02 ppm1 1.947 ppm2 1.556 CV 1
ASSI { 1787}
(( segid "SUPR" and resid 98 and name HG1 ))
( segid "SUPR" and resid 107 and name HG2%)
3.200 1.300 1.300 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.92876E-03 ppm1 1.956 ppm2 1.011 CV 1
OR { 1787}
(( segid "SUPR" and resid 98 and name HG1 ))
( segid "SUPR" and resid 107 and name HG1%)
ASSI { 1788}
(( segid "SUPR" and resid 98 and name HG2 ))
(( segid "SUPR" and resid 97 and name HA ))
4.700 2.700 1.300 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.55616E-03 ppm1 1.568 ppm2 5.918 CV 1
ASSI { 1789}
(( segid "SUPR" and resid 98 and name HG2 ))
(( segid "SUPR" and resid 98 and name HB1 ))
3.400 1.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14946E-02 ppm1 1.571 ppm2 2.120 CV 1
ASSI { 1790}
(( segid "SUPR" and resid 98 and name HG2 ))
(( segid "SUPR" and resid 98 and name HD1 ))
3.600 1.600 1.600 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 1.588 ppm2 3.572 CV 1
ASSI { 1791}
(( segid "SUPR" and resid 98 and name HG2 ))
(( segid "SUPR" and resid 98 and name HD2 ))
3.000 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.90156E-03 ppm1 1.568 ppm2 3.125 CV 1
ASSI { 1793}
(( segid "SUPR" and resid 98 and name HG2 ))
( segid "SUPR" and resid 105 and name HB% )
2.800 1.000 1.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.18657E-02 ppm1 1.575 ppm2 1.279 CV 1
ASSI { 1794}
(( segid "SUPR" and resid 99 and name HA ))
(( segid "SUPR" and resid 99 and name HB ))
3.000 1.100 1.100 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.17602E-02 ppm1 4.232 ppm2 1.800 CV 1
ASSI { 1795}
(( segid "SUPR" and resid 99 and name HA ))
( segid "SUPR" and resid 99 and name HD1%)
2.600 0.800 0.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.33226E-02 ppm1 4.218 ppm2 0.711 CV 1
ASSI { 1798}
(( segid "SUPR" and resid 99 and name HA ))
( segid "SUPR" and resid 99 and name HG2%)
2.400 0.700 0.700 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.51073E-02 ppm1 4.216 ppm2 0.545 CV 1
ASSI { 1799}
(( segid "SUPR" and resid 99 and name HA ))
(( segid "SUPR" and resid 100 and name HB ))
4.300 2.300 1.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.92203E-03 ppm1 4.207 ppm2 1.285 CV 1
ASSI { 1800}
(( segid "SUPR" and resid 99 and name HB ))
(( segid "SUPR" and resid 104 and name HA ))
4.500 2.500 1.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.69588E-03 ppm1 1.804 ppm2 4.096 CV 1
ASSI { 1807}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 99 and name HB ))
3.100 1.200 1.200 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.47762E-02 ppm1 0.722 ppm2 1.788 CV 1
ASSI { 1810}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HA ))
2.400 0.700 0.700 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.48316E-02 ppm1 0.729 ppm2 4.088 CV 1
ASSI { 1811}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HB2 ))
2.500 0.800 0.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 0.721 ppm2 1.687 CV 1
ASSI { 1812}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HD2 ))
3.000 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 0.722 ppm2 1.663 CV 1
OR { 1812}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HD1 ))
ASSI { 1813}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HE2 ))
3.200 1.300 1.300 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.20964E-02 ppm1 0.723 ppm2 2.932 CV 1
OR { 1813}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HE1 ))
ASSI { 1814}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HG1 ))
2.700 0.900 0.900 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.41181E-02 ppm1 0.725 ppm2 1.299 CV 1
OR { 1814}
( segid "SUPR" and resid 99 and name HD1%)
(( segid "SUPR" and resid 104 and name HG2 ))
ASSI { 1816}
( segid "SUPR" and resid 99 and name HG2%)
(( segid "SUPR" and resid 99 and name HB ))
2.000 0.500 0.500 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.15182E-01 ppm1 0.558 ppm2 1.791 CV 1
ASSI { 1817}
( segid "SUPR" and resid 99 and name HG2%)
( segid "SUPR" and resid 99 and name HD1%)
2.100 0.600 0.600 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.12399E-01 ppm1 0.559 ppm2 0.709 CV 1
ASSI { 1819}
( segid "SUPR" and resid 99 and name HG2%)
(( segid "SUPR" and resid 99 and name HG12))
3.000 1.100 1.100 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.56219E-02 ppm1 0.554 ppm2 1.122 CV 1
ASSI { 1820}
( segid "SUPR" and resid 99 and name HG2%)
(( segid "SUPR" and resid 102 and name HA1 ))
3.400 1.400 1.400 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.41553E-02 ppm1 0.554 ppm2 3.447 CV 1
ASSI { 1821}
( segid "SUPR" and resid 99 and name HG2%)
(( segid "SUPR" and resid 102 and name HA2 ))
2.800 1.000 1.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 0.550 ppm2 4.145 CV 1
ASSI { 1823}
(( segid "SUPR" and resid 100 and name HA ))
( segid "SUPR" and resid 54 and name HE% )
3.500 1.600 1.600 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.70615E-03 ppm1 3.765 ppm2 6.456 CV 1
ASSI { 1827}
(( segid "SUPR" and resid 100 and name HB ))
( segid "SUPR" and resid 42 and name HD2%)
2.800 1.000 1.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 1.300 ppm2 0.635 CV 1
ASSI { 1828}
(( segid "SUPR" and resid 100 and name HB ))
(( segid "SUPR" and resid 100 and name HA ))
2.900 1.000 1.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.23853E-02 ppm1 1.295 ppm2 3.764 CV 1
ASSI { 1829}
(( segid "SUPR" and resid 100 and name HB ))
( segid "SUPR" and resid 100 and name HD1%)
3.000 1.100 1.100 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.18872E-02 ppm1 1.293 ppm2 0.209 CV 1
ASSI { 1830}
(( segid "SUPR" and resid 100 and name HB ))
(( segid "SUPR" and resid 100 and name HG11))
2.800 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.17546E-02 ppm1 1.307 ppm2 0.762 CV 1
ASSI { 1831}
(( segid "SUPR" and resid 100 and name HB ))
(( segid "SUPR" and resid 100 and name HG12))
3.400 1.500 1.500 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.298 ppm2 -0.488 CV 1
ASSI { 1835}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 39 and name HG1%)
2.300 0.700 0.700 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.71862E-02 ppm1 0.225 ppm2 0.650 CV 1
ASSI { 1839}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 55 and name HE% )
2.700 0.900 0.900 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 0.220 ppm2 7.283 CV 1
ASSI { 1840}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 55 and name HZ ))
3.400 1.500 1.500 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.12209E-02 ppm1 0.225 ppm2 7.172 CV 1
ASSI { 1842}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 98 and name HB1 ))
3.000 3.000 3.000 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.85199E-03 ppm1 0.222 ppm2 2.120 CV 1
ASSI { 1843}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 98 and name HD2 ))
4.000 2.000 2.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.67039E-03 ppm1 0.223 ppm2 3.125 CV 1
ASSI { 1844}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 98 and name HG1 ))
3.500 1.500 1.500 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 0.209 ppm2 1.943 CV 1
ASSI { 1845}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 100 and name HA ))
3.500 1.500 1.500 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.28373E-02 ppm1 0.222 ppm2 3.766 CV 1
ASSI { 1846}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 100 and name HG11))
2.400 0.700 0.700 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.53225E-02 ppm1 0.231 ppm2 0.771 CV 1
ASSI { 1847}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 100 and name HG12))
2.500 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.39133E-02 ppm1 0.225 ppm2 -0.489 CV 1
ASSI { 1848}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 100 and name HG2%)
2.300 0.700 0.700 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.79013E-02 ppm1 0.226 ppm2 0.444 CV 1
ASSI { 1849}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 105 and name HA ))
4.100 2.100 1.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 0.248 ppm2 4.652 CV 1
ASSI { 1850}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 105 and name HB% )
2.100 0.600 0.600 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.12820E-01 ppm1 0.231 ppm2 1.277 CV 1
ASSI { 1851}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 107 and name HG2%)
3.300 1.300 1.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.15971E-02 ppm1 0.235 ppm2 1.019 CV 1
ASSI { 1852}
(( segid "SUPR" and resid 100 and name HG11))
(( segid "SUPR" and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.80804E-03 ppm1 0.783 ppm2 1.565 CV 1
ASSI { 1853}
(( segid "SUPR" and resid 100 and name HG11))
(( segid "SUPR" and resid 100 and name HA ))
3.000 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.22639E-02 ppm1 0.781 ppm2 3.766 CV 1
ASSI { 1855}
(( segid "SUPR" and resid 100 and name HG11))
(( segid "SUPR" and resid 100 and name HG12))
2.100 0.600 0.600 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.37464E-02 ppm1 0.783 ppm2 -0.487 CV 1
ASSI { 1856}
(( segid "SUPR" and resid 100 and name HG11))
( segid "SUPR" and resid 105 and name HB% )
2.700 0.900 0.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.30608E-02 ppm1 0.796 ppm2 1.280 CV 1
ASSI { 1857}
(( segid "SUPR" and resid 100 and name HG12))
( segid "SUPR" and resid 54 and name HE% )
3.700 1.700 1.700 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.43383E-03 ppm1 -0.442 ppm2 6.488 CV 1
ASSI { 1858}
(( segid "SUPR" and resid 100 and name HG12))
(( segid "SUPR" and resid 98 and name HB2 ))
3.400 1.400 1.400 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.74031E-03 ppm1 -0.462 ppm2 1.551 CV 1
ASSI { 1859}
(( segid "SUPR" and resid 100 and name HG12))
(( segid "SUPR" and resid 100 and name HA ))
2.700 0.900 0.900 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.23332E-02 ppm1 -0.474 ppm2 3.766 CV 1
ASSI { 1863}
(( segid "SUPR" and resid 100 and name HG12))
( segid "SUPR" and resid 105 and name HB% )
3.800 1.800 1.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.16963E-02 ppm1 -0.469 ppm2 1.281 CV 1
ASSI { 1868}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 54 and name HB1 ))
3.600 1.600 1.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.79869E-03 ppm1 0.437 ppm2 2.891 CV 1
ASSI { 1870}
( segid "SUPR" and resid 100 and name HG2%)
( segid "SUPR" and resid 46 and name HG2%)
3.000 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.20529E-02 ppm1 0.448 ppm2 1.110 CV 1
ASSI { 1872}
( segid "SUPR" and resid 100 and name HG2%)
( segid "SUPR" and resid 54 and name HD% )
3.800 1.800 1.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.54044E-03 ppm1 0.437 ppm2 6.331 CV 1
ASSI { 1873}
( segid "SUPR" and resid 100 and name HG2%)
( segid "SUPR" and resid 54 and name HE% )
3.900 1.900 1.900 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.79325E-03 ppm1 0.433 ppm2 6.467 CV 1
ASSI { 1874}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 100 and name HA ))
2.200 0.600 0.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.96048E-02 ppm1 0.446 ppm2 3.766 CV 1
ASSI { 1876}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 100 and name HG12))
2.700 0.900 0.900 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.25829E-02 ppm1 0.450 ppm2 -0.482 CV 1
ASSI { 1877}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 101 and name HB2 ))
2.900 1.000 1.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.18159E-02 ppm1 0.448 ppm2 3.015 CV 1
ASSI { 1878}
(( segid "SUPR" and resid 101 and name HA ))
( segid "SUPR" and resid 100 and name HG2%)
4.300 2.400 1.700 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.68842E-03 ppm1 4.242 ppm2 0.443 CV 1
ASSI { 1880}
(( segid "SUPR" and resid 101 and name HA ))
(( segid "SUPR" and resid 101 and name HB2 ))
2.500 0.800 0.800 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.40536E-02 ppm1 4.230 ppm2 3.015 CV 1
ASSI { 1881}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 43 and name HB2 ))
4.400 2.400 1.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.52301E-03 ppm1 2.215 ppm2 1.604 CV 1
ASSI { 1882}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 43 and name HG2 ))
2.700 0.900 0.900 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.96677E-03 ppm1 2.202 ppm2 1.806 CV 1
ASSI { 1883}
(( segid "SUPR" and resid 101 and name HB1 ))
( segid "SUPR" and resid 50 and name HG2%)
4.000 2.000 2.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.86586E-03 ppm1 2.211 ppm2 1.240 CV 1
ASSI { 1884}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 100 and name HA ))
4.200 2.200 1.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.76568E-03 ppm1 2.187 ppm2 3.771 CV 1
ASSI { 1885}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 100 and name HB ))
3.600 1.600 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.79850E-03 ppm1 2.209 ppm2 1.285 CV 1
ASSI { 1886}
(( segid "SUPR" and resid 101 and name HB1 ))
( segid "SUPR" and resid 100 and name HG2%)
3.600 1.700 1.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 2.214 ppm2 0.438 CV 1
ASSI { 1887}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 101 and name HA ))
2.800 0.900 0.900 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.41984E-02 ppm1 2.199 ppm2 4.220 CV 1
ASSI { 1888}
(( segid "SUPR" and resid 101 and name HB1 ))
(( segid "SUPR" and resid 101 and name HB2 ))
1.800 0.400 0.400 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.12190E-01 ppm1 2.207 ppm2 3.013 CV 1
ASSI { 1889}
(( segid "SUPR" and resid 101 and name HB2 ))
(( segid "SUPR" and resid 43 and name HB2 ))
5.000 3.100 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.43531E-03 ppm1 3.020 ppm2 1.606 CV 1
ASSI { 1896}
(( segid "SUPR" and resid 102 and name HA1 ))
(( segid "SUPR" and resid 102 and name HA2 ))
2.000 0.500 0.500 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.10011E-01 ppm1 3.450 ppm2 4.143 CV 1
ASSI { 1899}
(( segid "SUPR" and resid 103 and name HA ))
( segid "SUPR" and resid 99 and name HD1%)
4.100 2.100 1.900 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.52848E-03 ppm1 4.595 ppm2 0.714 CV 1
ASSI { 1900}
(( segid "SUPR" and resid 103 and name HA ))
( segid "SUPR" and resid 99 and name HG2%)
3.400 1.400 1.400 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.85455E-03 ppm1 4.581 ppm2 0.550 CV 1
ASSI { 1901}
(( segid "SUPR" and resid 103 and name HA ))
(( segid "SUPR" and resid 103 and name HB1 ))
2.700 0.900 0.900 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.30561E-02 ppm1 4.586 ppm2 1.505 CV 1
ASSI { 1902}
(( segid "SUPR" and resid 103 and name HA ))
(( segid "SUPR" and resid 103 and name HB2 ))
2.800 1.000 1.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.22063E-02 ppm1 4.586 ppm2 1.580 CV 1
ASSI { 1903}
(( segid "SUPR" and resid 103 and name HA ))
(( segid "SUPR" and resid 103 and name HG1 ))
2.800 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.32879E-02 ppm1 4.582 ppm2 1.383 CV 1
ASSI { 1904}
(( segid "SUPR" and resid 103 and name HA ))
(( segid "SUPR" and resid 104 and name HB2 ))
3.800 1.800 1.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 4.587 ppm2 1.709 CV 1
ASSI { 1905}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 43 and name HB1 ))
4.100 2.100 1.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.75786E-03 ppm1 1.497 ppm2 2.051 CV 1
ASSI { 1906}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 43 and name HG1 ))
3.400 1.400 1.400 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.66733E-03 ppm1 1.498 ppm2 2.184 CV 1
ASSI { 1907}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 43 and name HG2 ))
3.800 1.800 1.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.15729E-02 ppm1 1.508 ppm2 1.793 CV 1
ASSI { 1910}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 103 and name HD1 ))
3.500 1.500 1.500 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11536E-02 ppm1 1.506 ppm2 2.818 CV 1
ASSI { 1911}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 103 and name HD2 ))
3.400 1.400 1.400 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 1.516 ppm2 2.774 CV 1
ASSI { 1912}
(( segid "SUPR" and resid 103 and name HB1 ))
(( segid "SUPR" and resid 103 and name HG1 ))
2.700 0.900 0.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.22904E-02 ppm1 1.516 ppm2 1.382 CV 1
ASSI { 1913}
(( segid "SUPR" and resid 103 and name HB2 ))
(( segid "SUPR" and resid 43 and name HB1 ))
4.100 2.100 1.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.57638E-03 ppm1 1.617 ppm2 2.059 CV 1
ASSI { 1914}
(( segid "SUPR" and resid 103 and name HB2 ))
(( segid "SUPR" and resid 43 and name HG1 ))
3.000 1.100 1.100 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.76739E-03 ppm1 1.599 ppm2 2.185 CV 1
ASSI { 1917}
(( segid "SUPR" and resid 103 and name HB2 ))
(( segid "SUPR" and resid 103 and name HD1 ))
3.200 1.300 1.300 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.10607E-02 ppm1 1.582 ppm2 2.816 CV 1
ASSI { 1918}
(( segid "SUPR" and resid 103 and name HB2 ))
(( segid "SUPR" and resid 103 and name HD2 ))
3.500 1.500 1.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.88029E-03 ppm1 1.601 ppm2 2.766 CV 1
ASSI { 1919}
(( segid "SUPR" and resid 103 and name HD1 ))
(( segid "SUPR" and resid 103 and name HB1 ))
3.100 1.200 1.200 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.19442E-02 ppm1 2.804 ppm2 1.508 CV 1
OR { 1919}
(( segid "SUPR" and resid 103 and name HD2 ))
(( segid "SUPR" and resid 103 and name HB1 ))
ASSI { 1920}
(( segid "SUPR" and resid 103 and name HD2 ))
(( segid "SUPR" and resid 103 and name HB2 ))
3.100 1.200 1.200 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 2.810 ppm2 1.640 CV 1
OR { 1920}
(( segid "SUPR" and resid 103 and name HD1 ))
(( segid "SUPR" and resid 103 and name HB2 ))
ASSI { 1921}
(( segid "SUPR" and resid 103 and name HD2 ))
(( segid "SUPR" and resid 103 and name HG1 ))
2.800 1.000 1.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.22055E-02 ppm1 2.823 ppm2 1.388 CV 1
OR { 1921}
(( segid "SUPR" and resid 103 and name HD1 ))
(( segid "SUPR" and resid 103 and name HG1 ))
ASSI { 1922}
(( segid "SUPR" and resid 103 and name HD1 ))
(( segid "SUPR" and resid 103 and name HG2 ))
3.000 1.100 1.100 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 2.806 ppm2 1.727 CV 1
OR { 1922}
(( segid "SUPR" and resid 103 and name HD2 ))
(( segid "SUPR" and resid 103 and name HG2 ))
ASSI { 1923}
(( segid "SUPR" and resid 103 and name HG1 ))
(( segid "SUPR" and resid 42 and name HA ))
4.300 2.400 1.700 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.52065E-03 ppm1 1.391 ppm2 4.291 CV 1
ASSI { 1926}
(( segid "SUPR" and resid 103 and name HG1 ))
(( segid "SUPR" and resid 103 and name HD1 ))
3.500 1.600 1.600 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 1.396 ppm2 2.819 CV 1
ASSI { 1927}
(( segid "SUPR" and resid 103 and name HG1 ))
(( segid "SUPR" and resid 103 and name HD2 ))
2.800 1.000 1.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 1.392 ppm2 2.760 CV 1
ASSI { 1931}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 103 and name HD1 ))
2.600 0.800 0.800 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.23546E-02 ppm1 1.745 ppm2 2.830 CV 1
ASSI { 1932}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 103 and name HD2 ))
3.400 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 1.734 ppm2 2.776 CV 1
ASSI { 1936}
(( segid "SUPR" and resid 104 and name HA ))
( segid "SUPR" and resid 99 and name HG2%)
3.000 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.37880E-02 ppm1 4.086 ppm2 0.550 CV 1
ASSI { 1938}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 104 and name HB2 ))
2.200 0.600 0.600 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.54752E-02 ppm1 4.093 ppm2 1.699 CV 1
ASSI { 1939}
(( segid "SUPR" and resid 104 and name HA ))
( segid "SUPR" and resid 105 and name HB% )
3.100 1.200 1.200 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.53431E-02 ppm1 4.109 ppm2 1.287 CV 1
ASSI { 1940}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 99 and name HA ))
4.800 2.900 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 1.529 ppm2 4.196 CV 1
ASSI { 1941}
(( segid "SUPR" and resid 104 and name HB1 ))
( segid "SUPR" and resid 99 and name HD1%)
3.600 1.600 1.600 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.28202E-02 ppm1 1.532 ppm2 0.711 CV 1
ASSI { 1942}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 104 and name HB2 ))
1.700 0.400 0.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.14989E-01 ppm1 1.545 ppm2 1.690 CV 1
ASSI { 1943}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 104 and name HE2 ))
3.400 1.400 1.400 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.11673E-02 ppm1 1.535 ppm2 2.933 CV 1
OR { 1943}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 104 and name HE1 ))
ASSI { 1944}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 104 and name HG2 ))
2.400 0.700 0.700 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.49876E-02 ppm1 1.528 ppm2 1.326 CV 1
OR { 1944}
(( segid "SUPR" and resid 104 and name HB1 ))
(( segid "SUPR" and resid 104 and name HG1 ))
ASSI { 1945}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "SUPR" and resid 115 and name HG1 ))
3.000 1.100 1.100 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.13567E-02 ppm1 1.703 ppm2 1.429 CV 1
ASSI { 1946}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 99 and name HA ))
4.300 2.300 1.700 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.64032E-03 ppm1 1.697 ppm2 4.210 CV 1
ASSI { 1948}
(( segid "SUPR" and resid 104 and name HB2 ))
( segid "SUPR" and resid 99 and name HG2%)
4.100 2.100 1.900 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.57868E-03 ppm1 1.699 ppm2 0.556 CV 1
ASSI { 1951}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 104 and name HE2 ))
3.000 1.100 1.100 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.18337E-02 ppm1 1.700 ppm2 2.935 CV 1
OR { 1951}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 104 and name HE1 ))
ASSI { 1952}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 104 and name HG1 ))
2.600 0.800 0.800 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.41896E-02 ppm1 1.698 ppm2 1.324 CV 1
OR { 1952}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 104 and name HG2 ))
ASSI { 1954}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 104 and name HE1 ))
2.200 0.600 0.600 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.93309E-02 ppm1 1.667 ppm2 2.938 CV 1
OR { 1954}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 104 and name HE1 ))
OR { 1954}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 104 and name HE2 ))
OR { 1954}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 104 and name HE2 ))
ASSI { 1955}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 97 and name HA ))
4.100 2.100 1.900 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.65108E-03 ppm1 1.667 ppm2 5.910 CV 1
OR { 1955}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 97 and name HA ))
ASSI { 1956}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 97 and name HB1 ))
3.000 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.18408E-02 ppm1 1.676 ppm2 2.442 CV 1
OR { 1956}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 97 and name HB1 ))
ASSI { 1957}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 97 and name HB2 ))
2.700 0.900 0.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.35739E-02 ppm1 1.665 ppm2 2.783 CV 1
OR { 1957}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 97 and name HB2 ))
ASSI { 1959}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 104 and name HA ))
3.800 1.800 1.800 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 1.652 ppm2 4.137 CV 1
OR { 1959}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 104 and name HA ))
ASSI { 1960}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 104 and name HG2 ))
2.200 0.600 0.600 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.90223E-02 ppm1 1.655 ppm2 1.326 CV 1
OR { 1960}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 104 and name HG1 ))
OR { 1960}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 104 and name HG1 ))
OR { 1960}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 104 and name HG2 ))
ASSI { 1963}
(( segid "SUPR" and resid 104 and name HE2 ))
(( segid "SUPR" and resid 97 and name HA ))
3.200 3.200 2.800 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.49973E-03 ppm1 2.941 ppm2 5.909 CV 1
OR { 1963}
(( segid "SUPR" and resid 104 and name HE1 ))
(( segid "SUPR" and resid 97 and name HA ))
ASSI { 1966}
(( segid "SUPR" and resid 104 and name HE2 ))
(( segid "SUPR" and resid 104 and name HG2 ))
3.000 1.100 1.100 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.28798E-02 ppm1 2.956 ppm2 1.346 CV 1
OR { 1966}
(( segid "SUPR" and resid 104 and name HE1 ))
(( segid "SUPR" and resid 104 and name HG2 ))
OR { 1966}
(( segid "SUPR" and resid 104 and name HE2 ))
(( segid "SUPR" and resid 104 and name HG1 ))
OR { 1966}
(( segid "SUPR" and resid 104 and name HE1 ))
(( segid "SUPR" and resid 104 and name HG1 ))
ASSI { 1967}
(( segid "SUPR" and resid 104 and name HG1 ))
(( segid "SUPR" and resid 97 and name HA ))
3.200 1.300 1.300 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 1.330 ppm2 5.909 CV 1
OR { 1967}
(( segid "SUPR" and resid 104 and name HG2 ))
(( segid "SUPR" and resid 97 and name HA ))
ASSI { 1969}
(( segid "SUPR" and resid 104 and name HG1 ))
(( segid "SUPR" and resid 97 and name HB2 ))
2.700 0.900 0.900 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.48363E-02 ppm1 1.328 ppm2 2.777 CV 1
OR { 1969}
(( segid "SUPR" and resid 104 and name HG2 ))
(( segid "SUPR" and resid 97 and name HB2 ))
ASSI { 1971}
(( segid "SUPR" and resid 104 and name HG1 ))
(( segid "SUPR" and resid 104 and name HA ))
2.400 0.700 0.700 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.42000E-02 ppm1 1.329 ppm2 4.087 CV 1
OR { 1971}
(( segid "SUPR" and resid 104 and name HG2 ))
(( segid "SUPR" and resid 104 and name HA ))
ASSI { 1974}
(( segid "SUPR" and resid 105 and name HA ))
(( segid "SUPR" and resid 41 and name HA1 ))
3.000 1.100 1.100 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.12122E-02 ppm1 4.649 ppm2 3.760 CV 1
ASSI { 1975}
(( segid "SUPR" and resid 105 and name HA ))
(( segid "SUPR" and resid 41 and name HA2 ))
3.900 1.900 1.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 4.671 ppm2 3.951 CV 1
ASSI { 1976}
(( segid "SUPR" and resid 105 and name HA ))
( segid "SUPR" and resid 42 and name HD2%)
3.300 3.300 2.700 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.46128E-03 ppm1 4.658 ppm2 0.630 CV 1
ASSI { 1977}
(( segid "SUPR" and resid 105 and name HA ))
( segid "SUPR" and resid 105 and name HB% )
2.300 0.600 0.600 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.80394E-02 ppm1 4.662 ppm2 1.279 CV 1
ASSI { 1978}
( segid "SUPR" and resid 105 and name HB% )
( segid "SUPR" and resid 42 and name HD1%)
3.000 1.100 1.100 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.17111E-02 ppm1 1.295 ppm2 0.430 CV 1
ASSI { 1979}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 97 and name HA ))
3.700 1.700 1.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.93908E-03 ppm1 1.297 ppm2 5.912 CV 1
ASSI { 1980}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 98 and name HB1 ))
2.700 2.700 3.300 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.14612E-02 ppm1 1.281 ppm2 2.120 CV 1
ASSI { 1981}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 98 and name HD2 ))
2.900 1.000 1.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.17573E-02 ppm1 1.273 ppm2 3.127 CV 1
ASSI { 1982}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 98 and name HG1 ))
3.500 1.600 1.600 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.28704E-02 ppm1 1.304 ppm2 1.939 CV 1
ASSI { 1985}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 106 and name HA ))
3.700 1.700 1.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.89673E-03 ppm1 1.289 ppm2 5.484 CV 1
ASSI { 1987}
(( segid "SUPR" and resid 106 and name HA ))
(( segid "SUPR" and resid 98 and name HD1 ))
4.100 2.100 1.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.68524E-03 ppm1 5.475 ppm2 3.582 CV 1
ASSI { 1990}
(( segid "SUPR" and resid 106 and name HA ))
(( segid "SUPR" and resid 106 and name HB1 ))
2.600 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 5.489 ppm2 2.602 CV 1
ASSI { 1991}
(( segid "SUPR" and resid 106 and name HA ))
(( segid "SUPR" and resid 106 and name HB2 ))
2.400 0.700 0.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.61153E-02 ppm1 5.489 ppm2 2.683 CV 1
ASSI { 1995}
(( segid "SUPR" and resid 107 and name HA ))
( segid "SUPR" and resid 37 and name HG2%)
3.300 1.300 1.300 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.18969E-02 ppm1 5.231 ppm2 0.673 CV 1
ASSI { 1999}
(( segid "SUPR" and resid 107 and name HA ))
( segid "SUPR" and resid 107 and name HG2%)
2.500 0.800 0.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.40304E-02 ppm1 5.228 ppm2 1.023 CV 1
ASSI { 2001}
(( segid "SUPR" and resid 107 and name HB ))
( segid "SUPR" and resid 37 and name HG2%)
3.900 1.900 1.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.20307E-02 ppm1 2.017 ppm2 0.677 CV 1
ASSI { 2002}
(( segid "SUPR" and resid 107 and name HB ))
(( segid "SUPR" and resid 98 and name HD1 ))
3.400 1.400 1.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.59593E-03 ppm1 2.028 ppm2 3.572 CV 1
ASSI { 2004}
(( segid "SUPR" and resid 107 and name HB ))
(( segid "SUPR" and resid 107 and name HA ))
2.700 0.900 0.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.31930E-02 ppm1 2.020 ppm2 5.217 CV 1
ASSI { 2005}
(( segid "SUPR" and resid 107 and name HB ))
( segid "SUPR" and resid 107 and name HG1%)
2.500 0.800 0.800 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.39844E-02 ppm1 2.018 ppm2 1.052 CV 1
ASSI { 2006}
(( segid "SUPR" and resid 107 and name HB ))
( segid "SUPR" and resid 107 and name HG2%)
2.400 0.700 0.700 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.49419E-02 ppm1 2.011 ppm2 0.999 CV 1
ASSI { 2011}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 98 and name HG2 ))
2.700 0.900 0.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.39574E-02 ppm1 1.035 ppm2 1.560 CV 1
OR { 2011}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 98 and name HG2 ))
ASSI { 2013}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 39 and name HA ))
2.700 0.900 0.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.37581E-02 ppm1 1.032 ppm2 4.328 CV 1
OR { 2013}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 39 and name HA ))
ASSI { 2014}
( segid "SUPR" and resid 107 and name HG2%)
( segid "SUPR" and resid 39 and name HG1%)
2.000 0.500 0.500 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.19084E-01 ppm1 1.041 ppm2 0.669 CV 1
OR { 2014}
( segid "SUPR" and resid 107 and name HG1%)
( segid "SUPR" and resid 39 and name HG1%)
ASSI { 2015}
( segid "SUPR" and resid 107 and name HG2%)
( segid "SUPR" and resid 39 and name HG2%)
2.400 0.700 0.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.72161E-02 ppm1 1.037 ppm2 0.564 CV 1
OR { 2015}
( segid "SUPR" and resid 107 and name HG1%)
( segid "SUPR" and resid 39 and name HG2%)
ASSI { 2016}
( segid "SUPR" and resid 107 and name HG1%)
( segid "SUPR" and resid 55 and name HE% )
3.000 1.100 1.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.27577E-02 ppm1 1.036 ppm2 7.280 CV 1
OR { 2016}
( segid "SUPR" and resid 107 and name HG2%)
( segid "SUPR" and resid 55 and name HE% )
ASSI { 2017}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 55 and name HZ ))
2.600 0.900 0.900 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.34601E-02 ppm1 1.038 ppm2 7.178 CV 1
OR { 2017}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 55 and name HZ ))
ASSI { 2018}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 97 and name HA ))
3.500 1.500 1.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 1.019 ppm2 5.907 CV 1
OR { 2018}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 97 and name HA ))
ASSI { 2019}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 98 and name HB1 ))
2.600 2.600 3.400 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.17216E-02 ppm1 1.033 ppm2 2.120 CV 1
OR { 2019}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 98 and name HB1 ))
ASSI { 2020}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 98 and name HD1 ))
2.700 0.900 0.900 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.43394E-02 ppm1 1.022 ppm2 3.578 CV 1
OR { 2020}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 98 and name HD1 ))
ASSI { 2021}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 98 and name HD2 ))
2.500 0.800 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.42889E-02 ppm1 1.022 ppm2 3.130 CV 1
OR { 2021}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 98 and name HD2 ))
ASSI { 2023}
( segid "SUPR" and resid 107 and name HG2%)
( segid "SUPR" and resid 105 and name HB% )
2.800 1.000 1.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.31915E-02 ppm1 1.054 ppm2 1.312 CV 1
OR { 2023}
( segid "SUPR" and resid 107 and name HG1%)
( segid "SUPR" and resid 105 and name HB% )
ASSI { 2024}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 106 and name HA ))
3.600 1.600 1.600 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 1.023 ppm2 5.479 CV 1
OR { 2024}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 106 and name HA ))
ASSI { 2025}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 107 and name HA ))
2.100 0.600 0.600 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12268E-01 ppm1 1.034 ppm2 5.219 CV 1
OR { 2025}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 107 and name HA ))
ASSI { 2026}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 107 and name HB ))
1.900 0.500 0.500 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.18200E-01 ppm1 1.036 ppm2 2.006 CV 1
OR { 2026}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 107 and name HB ))
ASSI { 2028}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 37 and name HB ))
2.400 2.400 3.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 1.027 ppm2 1.901 CV 1
ASSI { 2029}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 37 and name HG11))
4.300 2.300 1.700 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.84752E-03 ppm1 1.050 ppm2 1.704 CV 1
ASSI { 2030}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 108 and name HA ))
2.800 1.000 1.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.28558E-02 ppm1 1.041 ppm2 4.935 CV 1
ASSI { 2031}
( segid "SUPR" and resid 107 and name HG2%)
( segid "SUPR" and resid 54 and name HE% )
3.000 3.000 3.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.82069E-03 ppm1 1.022 ppm2 6.455 CV 1
ASSI { 2032}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 92 and name HA ))
2.300 2.300 3.700 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.35651E-02 ppm1 1.041 ppm2 1.953 CV 1
ASSI { 2036}
(( segid "SUPR" and resid 108 and name HA ))
(( segid "SUPR" and resid 108 and name HB2 ))
2.400 0.700 0.700 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.79520E-02 ppm1 4.931 ppm2 2.801 CV 1
ASSI { 2038}
(( segid "SUPR" and resid 108 and name HB1 ))
( segid "SUPR" and resid 112 and name HD1%)
3.400 1.400 1.400 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 3.003 ppm2 0.961 CV 1
ASSI { 2039}
(( segid "SUPR" and resid 108 and name HB1 ))
(( segid "SUPR" and resid 108 and name HA ))
2.500 0.800 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.48167E-02 ppm1 3.005 ppm2 4.930 CV 1
ASSI { 2042}
(( segid "SUPR" and resid 109 and name HA ))
(( segid "SUPR" and resid 37 and name HA ))
2.300 0.600 0.600 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.66795E-02 ppm1 4.497 ppm2 4.210 CV 1
ASSI { 2043}
(( segid "SUPR" and resid 109 and name HA ))
(( segid "SUPR" and resid 37 and name HG12))
3.500 1.600 1.600 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.87949E-03 ppm1 4.474 ppm2 0.567 CV 1
ASSI { 2044}
(( segid "SUPR" and resid 109 and name HA ))
( segid "SUPR" and resid 37 and name HG2%)
2.900 1.100 1.100 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 4.495 ppm2 0.680 CV 1
ASSI { 2045}
(( segid "SUPR" and resid 109 and name HA ))
(( segid "SUPR" and resid 109 and name HB1 ))
2.600 0.800 0.800 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.30248E-02 ppm1 4.487 ppm2 1.809 CV 1
ASSI { 2046}
(( segid "SUPR" and resid 109 and name HA ))
(( segid "SUPR" and resid 109 and name HB2 ))
2.700 0.900 0.900 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.26319E-02 ppm1 4.492 ppm2 1.894 CV 1
ASSI { 2050}
(( segid "SUPR" and resid 109 and name HA ))
(( segid "SUPR" and resid 109 and name HG ))
3.200 1.300 1.300 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 4.494 ppm2 2.076 CV 1
ASSI { 2051}
(( segid "SUPR" and resid 109 and name HA ))
( segid "SUPR" and resid 111 and name HD% )
4.600 2.600 1.400 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.43059E-03 ppm1 4.488 ppm2 7.099 CV 1
ASSI { 2052}
(( segid "SUPR" and resid 109 and name HA ))
( segid "SUPR" and resid 111 and name HE% )
4.900 3.100 1.100 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.42431E-03 ppm1 4.492 ppm2 6.736 CV 1
ASSI { 2053}
(( segid "SUPR" and resid 109 and name HB1 ))
(( segid "SUPR" and resid 37 and name HA ))
4.300 2.300 1.700 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.56065E-03 ppm1 1.786 ppm2 4.213 CV 1
ASSI { 2055}
(( segid "SUPR" and resid 109 and name HB1 ))
(( segid "SUPR" and resid 109 and name HB2 ))
1.800 0.400 0.400 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.79753E-02 ppm1 1.796 ppm2 1.897 CV 1
ASSI { 2056}
(( segid "SUPR" and resid 109 and name HB1 ))
( segid "SUPR" and resid 109 and name HD1%)
2.500 0.800 0.800 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.39659E-02 ppm1 1.823 ppm2 1.362 CV 1
ASSI { 2057}
(( segid "SUPR" and resid 109 and name HB1 ))
( segid "SUPR" and resid 109 and name HD2%)
3.400 1.500 1.500 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.14888E-02 ppm1 1.834 ppm2 0.888 CV 1
ASSI { 2058}
(( segid "SUPR" and resid 109 and name HB1 ))
(( segid "SUPR" and resid 109 and name HG ))
2.600 0.800 0.800 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 1.822 ppm2 2.073 CV 1
ASSI { 2059}
(( segid "SUPR" and resid 109 and name HB1 ))
( segid "SUPR" and resid 111 and name HD% )
2.400 0.700 0.700 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.24093E-02 ppm1 1.807 ppm2 7.104 CV 1
ASSI { 2060}
(( segid "SUPR" and resid 109 and name HB1 ))
( segid "SUPR" and resid 111 and name HE% )
2.700 0.900 0.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.18490E-02 ppm1 1.810 ppm2 6.732 CV 1
ASSI { 2064}
(( segid "SUPR" and resid 109 and name HB2 ))
( segid "SUPR" and resid 109 and name HD1%)
2.900 1.100 1.100 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.46123E-02 ppm1 1.899 ppm2 1.367 CV 1
ASSI { 2065}
(( segid "SUPR" and resid 109 and name HB2 ))
( segid "SUPR" and resid 109 and name HD2%)
3.100 1.200 1.200 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.13449E-02 ppm1 1.905 ppm2 0.878 CV 1
ASSI { 2067}
(( segid "SUPR" and resid 109 and name HB2 ))
( segid "SUPR" and resid 111 and name HD% )
4.000 2.000 2.000 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 1.897 ppm2 7.105 CV 1
ASSI { 2068}
(( segid "SUPR" and resid 109 and name HB2 ))
( segid "SUPR" and resid 111 and name HE% )
3.300 1.400 1.400 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 1.903 ppm2 6.732 CV 1
ASSI { 2074}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HD1 ))
2.000 0.500 0.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.15396E-01 ppm1 1.392 ppm2 1.713 CV 1
OR { 2074}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HB1 ))
OR { 2074}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HD2 ))
OR { 2074}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HD1 ))
OR { 2074}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HD2 ))
OR { 2074}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HB1 ))
ASSI { 2079}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 34 and name HB1 ))
2.900 2.900 3.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.92332E-03 ppm1 1.381 ppm2 2.745 CV 1
ASSI { 2080}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 34 and name HD% )
3.000 1.100 1.100 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.23617E-02 ppm1 1.369 ppm2 7.232 CV 1
ASSI { 2081}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 34 and name HE% )
3.800 1.800 1.800 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 1.365 ppm2 7.308 CV 1
ASSI { 2082}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 108 and name HA ))
3.400 3.400 2.600 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.42266E-02 ppm1 1.376 ppm2 4.969 CV 1
ASSI { 2083}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 109 and name HA ))
2.800 1.000 1.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.21712E-02 ppm1 1.374 ppm2 4.484 CV 1
ASSI { 2085}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 109 and name HG ))
2.200 0.600 0.600 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.89642E-02 ppm1 1.373 ppm2 2.080 CV 1
ASSI { 2086}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 111 and name HA ))
3.900 1.900 1.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.16074E-02 ppm1 1.374 ppm2 4.417 CV 1
ASSI { 2087}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 111 and name HD% )
2.800 1.000 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.23044E-02 ppm1 1.369 ppm2 7.104 CV 1
ASSI { 2088}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 111 and name HE% )
2.500 0.800 0.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.85529E-02 ppm1 1.370 ppm2 6.730 CV 1
ASSI { 2091}
( segid "SUPR" and resid 109 and name HD2%)
( segid "SUPR" and resid 34 and name HD% )
3.900 1.900 1.900 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.52554E-03 ppm1 0.903 ppm2 7.235 CV 1
ASSI { 2092}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 37 and name HA ))
3.000 1.100 1.100 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.31031E-02 ppm1 0.906 ppm2 4.213 CV 1
ASSI { 2093}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 37 and name HB ))
2.300 2.300 3.700 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.42677E-02 ppm1 0.901 ppm2 1.895 CV 1
ASSI { 2096}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 109 and name HA ))
2.000 0.500 0.500 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.12363E-01 ppm1 0.903 ppm2 4.485 CV 1
ASSI { 2097}
( segid "SUPR" and resid 109 and name HD2%)
( segid "SUPR" and resid 109 and name HD1%)
2.100 0.500 0.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.16165E-01 ppm1 0.893 ppm2 1.360 CV 1
ASSI { 2098}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 109 and name HG ))
2.200 0.600 0.600 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.97631E-02 ppm1 0.903 ppm2 2.075 CV 1
ASSI { 2099}
( segid "SUPR" and resid 109 and name HD2%)
( segid "SUPR" and resid 111 and name HD% )
4.000 2.000 2.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.13601E-02 ppm1 0.899 ppm2 7.105 CV 1
ASSI { 2104}
(( segid "SUPR" and resid 109 and name HG ))
( segid "SUPR" and resid 111 and name HD% )
4.400 2.500 1.600 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.39536E-03 ppm1 2.072 ppm2 7.099 CV 1
ASSI { 2105}
(( segid "SUPR" and resid 109 and name HG ))
( segid "SUPR" and resid 111 and name HE% )
3.600 1.600 1.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.60246E-03 ppm1 2.085 ppm2 6.727 CV 1
ASSI { 2107}
(( segid "SUPR" and resid 110 and name HA ))
(( segid "SUPR" and resid 38 and name HB1 ))
2.700 0.900 0.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.37621E-02 ppm1 4.145 ppm2 2.679 CV 1
ASSI { 2108}
(( segid "SUPR" and resid 110 and name HA ))
(( segid "SUPR" and resid 38 and name HB2 ))
2.500 0.800 0.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.32279E-02 ppm1 4.144 ppm2 2.822 CV 1
ASSI { 2109}
(( segid "SUPR" and resid 110 and name HA ))
( segid "SUPR" and resid 80 and name HE% )
4.300 2.300 1.700 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.33032E-03 ppm1 4.153 ppm2 7.229 CV 1
ASSI { 2112}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 36 and name HE2 ))
3.000 1.100 1.100 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.21353E-02 ppm1 1.675 ppm2 2.361 CV 1
ASSI { 2116}
( segid "SUPR" and resid 110 and name HB% )
(( segid "RNA1" and resid 5 and name H1' ))
4.000 2.000 2.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.49616E-03 ppm1 1.664 ppm2 6.314 CV 1
ASSI { 2117}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 36 and name HB1 ))
2.500 0.800 0.800 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.45057E-02 ppm1 1.670 ppm2 1.792 CV 1
ASSI { 2118}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 36 and name HB2 ))
3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.19034E-02 ppm1 1.669 ppm2 2.059 CV 1
ASSI { 2120}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 38 and name HB1 ))
3.100 1.200 1.200 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.36026E-02 ppm1 1.671 ppm2 2.681 CV 1
ASSI { 2122}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 80 and name HB2 ))
2.700 2.700 3.300 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 1.669 ppm2 2.229 CV 1
ASSI { 2123}
( segid "SUPR" and resid 110 and name HB% )
( segid "SUPR" and resid 80 and name HE% )
3.100 1.200 1.200 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.13188E-02 ppm1 1.668 ppm2 7.234 CV 1
ASSI { 2124}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 110 and name HA ))
2.200 0.600 0.600 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.97411E-02 ppm1 1.673 ppm2 4.129 CV 1
ASSI { 2125}
( segid "SUPR" and resid 110 and name HB% )
( segid "SUPR" and resid 111 and name HE% )
4.200 2.200 1.800 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 1.673 ppm2 6.721 CV 1
ASSI { 2126}
(( segid "SUPR" and resid 111 and name HA ))
( segid "SUPR" and resid 110 and name HB% )
3.800 1.800 1.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.58008E-03 ppm1 4.426 ppm2 1.654 CV 1
ASSI { 2128}
(( segid "SUPR" and resid 111 and name HA ))
(( segid "SUPR" and resid 111 and name HB1 ))
2.500 0.800 0.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.60045E-02 ppm1 4.426 ppm2 2.963 CV 1
ASSI { 2129}
(( segid "SUPR" and resid 111 and name HA ))
(( segid "SUPR" and resid 111 and name HB2 ))
2.200 0.600 0.600 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.73720E-02 ppm1 4.428 ppm2 3.212 CV 1
ASSI { 2132}
(( segid "SUPR" and resid 111 and name HB1 ))
(( segid "SUPR" and resid 33 and name HA ))
3.200 1.300 1.300 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.10159E-02 ppm1 2.976 ppm2 3.745 CV 1
ASSI { 2133}
(( segid "SUPR" and resid 111 and name HB1 ))
(( segid "SUPR" and resid 33 and name HG1 ))
4.000 2.000 2.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.38572E-03 ppm1 2.973 ppm2 0.890 CV 1
ASSI { 2135}
(( segid "SUPR" and resid 111 and name HB1 ))
(( segid "SUPR" and resid 111 and name HB2 ))
1.900 0.400 0.400 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.93908E-02 ppm1 2.976 ppm2 3.213 CV 1
ASSI { 2136}
(( segid "SUPR" and resid 111 and name HB1 ))
( segid "SUPR" and resid 111 and name HD% )
2.700 0.900 0.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.40548E-02 ppm1 2.976 ppm2 7.105 CV 1
ASSI { 2137}
(( segid "SUPR" and resid 111 and name HB1 ))
( segid "SUPR" and resid 111 and name HE% )
4.200 2.200 1.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.84997E-03 ppm1 2.971 ppm2 6.731 CV 1
ASSI { 2138}
(( segid "SUPR" and resid 111 and name HB1 ))
( segid "SUPR" and resid 114 and name HB% )
5.000 3.200 1.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.39058E-03 ppm1 2.968 ppm2 1.320 CV 1
ASSI { 2139}
(( segid "SUPR" and resid 111 and name HB2 ))
(( segid "SUPR" and resid 33 and name HA ))
3.700 1.700 1.700 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.76452E-03 ppm1 3.215 ppm2 3.746 CV 1
ASSI { 2140}
(( segid "SUPR" and resid 111 and name HB2 ))
(( segid "SUPR" and resid 33 and name HG1 ))
3.700 1.700 1.700 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.39797E-03 ppm1 3.223 ppm2 0.899 CV 1
ASSI { 2141}
(( segid "SUPR" and resid 111 and name HB2 ))
(( segid "SUPR" and resid 33 and name HG2 ))
4.000 2.000 2.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.48828E-03 ppm1 3.219 ppm2 1.252 CV 1
ASSI { 2144}
(( segid "SUPR" and resid 111 and name HB2 ))
( segid "SUPR" and resid 111 and name HD% )
2.400 0.700 0.700 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.41825E-02 ppm1 3.221 ppm2 7.106 CV 1
ASSI { 2145}
(( segid "SUPR" and resid 111 and name HB2 ))
( segid "SUPR" and resid 111 and name HE% )
4.300 2.300 1.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.86965E-03 ppm1 3.231 ppm2 6.735 CV 1
ASSI { 2148}
( segid "SUPR" and resid 111 and name HD% )
(( segid "SUPR" and resid 33 and name HA ))
3.800 1.800 1.800 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.56533E-03 ppm1 7.119 ppm2 3.737 CV 1
ASSI { 2152}
( segid "SUPR" and resid 111 and name HD% )
(( segid "SUPR" and resid 111 and name HA ))
3.500 1.500 1.500 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.21631E-02 ppm1 7.111 ppm2 4.414 CV 1
ASSI { 2155}
( segid "SUPR" and resid 111 and name HD% )
( segid "SUPR" and resid 111 and name HE% )
2.100 0.500 0.500 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.11174E-01 ppm1 7.111 ppm2 6.730 CV 1
ASSI { 2157}
( segid "SUPR" and resid 111 and name HD% )
(( segid "SUPR" and resid 112 and name HB1 ))
4.600 2.600 1.400 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.72131E-03 ppm1 7.112 ppm2 1.501 CV 1
ASSI { 2158}
( segid "SUPR" and resid 111 and name HD% )
(( segid "SUPR" and resid 112 and name HB2 ))
3.700 1.700 1.700 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 7.115 ppm2 1.359 CV 1
ASSI { 2162}
( segid "SUPR" and resid 111 and name HE% )
(( segid "SUPR" and resid 33 and name HG2 ))
3.500 1.500 1.500 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.62675E-03 ppm1 6.727 ppm2 1.258 CV 1
ASSI { 2163}
( segid "SUPR" and resid 111 and name HE% )
( segid "SUPR" and resid 34 and name HD% )
3.100 1.200 1.200 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 6.731 ppm2 7.237 CV 1
ASSI { 2164}
( segid "SUPR" and resid 111 and name HE% )
( segid "SUPR" and resid 34 and name HE% )
3.100 1.200 1.200 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.14504E-02 ppm1 6.732 ppm2 7.310 CV 1
ASSI { 2165}
( segid "SUPR" and resid 111 and name HE% )
(( segid "SUPR" and resid 34 and name HZ ))
3.900 1.900 1.900 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.60117E-03 ppm1 6.735 ppm2 7.352 CV 1
ASSI { 2169}
( segid "SUPR" and resid 111 and name HE% )
( segid "SUPR" and resid 109 and name HD2%)
2.900 1.100 1.100 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.90272E-03 ppm1 6.736 ppm2 0.909 CV 1
ASSI { 2174}
( segid "SUPR" and resid 111 and name HE% )
(( segid "SUPR" and resid 112 and name HA ))
4.200 2.200 1.800 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.61593E-03 ppm1 6.744 ppm2 3.618 CV 1
ASSI { 2179}
(( segid "SUPR" and resid 112 and name HA ))
( segid "SUPR" and resid 111 and name HD% )
3.500 1.600 1.600 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.95816E-03 ppm1 3.619 ppm2 7.107 CV 1
ASSI { 2181}
(( segid "SUPR" and resid 112 and name HA ))
(( segid "SUPR" and resid 112 and name HB1 ))
2.600 0.800 0.800 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 3.610 ppm2 1.497 CV 1
ASSI { 2182}
(( segid "SUPR" and resid 112 and name HA ))
(( segid "SUPR" and resid 112 and name HB2 ))
2.800 1.000 1.000 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.42389E-02 ppm1 3.611 ppm2 1.348 CV 1
ASSI { 2183}
(( segid "SUPR" and resid 112 and name HA ))
( segid "SUPR" and resid 112 and name HD1%)
4.100 2.100 1.900 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 3.605 ppm2 0.964 CV 1
ASSI { 2186}
(( segid "SUPR" and resid 112 and name HA ))
(( segid "SUPR" and resid 112 and name HG ))
3.000 1.100 1.100 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 3.615 ppm2 0.700 CV 1
ASSI { 2189}
(( segid "SUPR" and resid 112 and name HB1 ))
(( segid "SUPR" and resid 112 and name HB2 ))
1.800 0.400 0.400 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11185E-01 ppm1 1.497 ppm2 1.347 CV 1
ASSI { 2192}
(( segid "SUPR" and resid 112 and name HB1 ))
(( segid "SUPR" and resid 112 and name HG ))
3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 1.509 ppm2 0.705 CV 1
ASSI { 2198}
(( segid "SUPR" and resid 112 and name HB2 ))
(( segid "SUPR" and resid 112 and name HG ))
2.700 0.900 0.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.20949E-02 ppm1 1.363 ppm2 0.696 CV 1
ASSI { 2199}
( segid "SUPR" and resid 112 and name HD1%)
( segid "SUPR" and resid 112 and name HD2%)
2.400 0.700 0.700 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.71978E-02 ppm1 0.975 ppm2 0.618 CV 1
ASSI { 2202}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 109 and name HB1 ))
3.000 1.200 1.200 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.27220E-02 ppm1 0.980 ppm2 1.808 CV 1
ASSI { 2203}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 109 and name HB2 ))
2.700 0.900 0.900 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.26728E-02 ppm1 0.977 ppm2 1.896 CV 1
ASSI { 2204}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 109 and name HG ))
2.600 2.600 3.400 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 0.976 ppm2 2.077 CV 1
ASSI { 2205}
( segid "SUPR" and resid 112 and name HD1%)
( segid "SUPR" and resid 111 and name HD% )
4.500 2.500 1.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.69735E-03 ppm1 0.979 ppm2 7.105 CV 1
ASSI { 2206}
( segid "SUPR" and resid 112 and name HD1%)
( segid "SUPR" and resid 111 and name HE% )
3.500 1.500 1.500 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 0.977 ppm2 6.731 CV 1
ASSI { 2208}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 112 and name HB1 ))
2.400 0.700 0.700 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.70010E-02 ppm1 0.975 ppm2 1.495 CV 1
ASSI { 2209}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 112 and name HB2 ))
2.300 0.700 0.700 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.79508E-02 ppm1 0.980 ppm2 1.354 CV 1
ASSI { 2211}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 112 and name HG ))
2.200 0.600 0.600 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.83224E-02 ppm1 0.971 ppm2 0.703 CV 1
ASSI { 2215}
( segid "SUPR" and resid 112 and name HD2%)
( segid "SUPR" and resid 111 and name HD% )
3.400 1.500 1.500 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 0.648 ppm2 7.109 CV 1
ASSI { 2216}
( segid "SUPR" and resid 112 and name HD2%)
( segid "SUPR" and resid 111 and name HE% )
2.600 0.800 0.800 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.50949E-02 ppm1 0.650 ppm2 6.729 CV 1
ASSI { 2217}
( segid "SUPR" and resid 112 and name HD2%)
(( segid "SUPR" and resid 112 and name HA ))
2.100 0.500 0.500 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.14457E-01 ppm1 0.645 ppm2 3.603 CV 1
ASSI { 2218}
( segid "SUPR" and resid 112 and name HD2%)
(( segid "SUPR" and resid 112 and name HB1 ))
2.300 0.700 0.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.84618E-02 ppm1 0.643 ppm2 1.488 CV 1
ASSI { 2219}
( segid "SUPR" and resid 112 and name HD2%)
(( segid "SUPR" and resid 112 and name HB2 ))
2.900 1.100 1.100 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.75969E-02 ppm1 0.651 ppm2 1.348 CV 1
ASSI { 2220}
(( segid "SUPR" and resid 112 and name HG ))
(( segid "SUPR" and resid 109 and name HB1 ))
3.300 1.400 1.400 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.38628E-03 ppm1 0.706 ppm2 1.806 CV 1
ASSI { 2221}
(( segid "SUPR" and resid 112 and name HG ))
(( segid "SUPR" and resid 109 and name HB2 ))
3.400 1.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.95620E-03 ppm1 0.703 ppm2 1.894 CV 1
ASSI { 2222}
(( segid "SUPR" and resid 112 and name HG ))
( segid "SUPR" and resid 111 and name HD% )
3.600 1.600 1.600 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.54601E-03 ppm1 0.737 ppm2 7.107 CV 1
ASSI { 2223}
(( segid "SUPR" and resid 112 and name HG ))
( segid "SUPR" and resid 111 and name HE% )
3.200 1.300 1.300 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.98334E-03 ppm1 0.704 ppm2 6.731 CV 1
ASSI { 2228}
(( segid "SUPR" and resid 113 and name HA1 ))
(( segid "SUPR" and resid 113 and name HA2 ))
2.000 0.500 0.500 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.82448E-02 ppm1 4.312 ppm2 3.306 CV 1
ASSI { 2229}
(( segid "SUPR" and resid 113 and name HA2 ))
(( segid "RNA1" and resid 5 and name H1' ))
4.700 2.700 1.300 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.39190E-03 ppm1 3.298 ppm2 6.312 CV 1
ASSI { 2231}
(( segid "SUPR" and resid 114 and name HA ))
(( segid "RNA1" and resid 5 and name H1' ))
3.700 1.700 1.700 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.94807E-03 ppm1 3.886 ppm2 6.314 CV 1
ASSI { 2232}
(( segid "SUPR" and resid 114 and name HA ))
(( segid "RNA1" and resid 5 and name H2' ))
3.500 1.500 1.500 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 3.880 ppm2 4.188 CV 1
ASSI { 2234}
(( segid "SUPR" and resid 114 and name HA ))
(( segid "SUPR" and resid 115 and name HE2 ))
4.200 2.200 1.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.43766E-03 ppm1 3.861 ppm2 2.987 CV 1
OR { 2234}
(( segid "SUPR" and resid 114 and name HA ))
(( segid "SUPR" and resid 115 and name HE1 ))
ASSI { 2240}
( segid "SUPR" and resid 114 and name HB% )
(( segid "RNA1" and resid 5 and name H1' ))
3.800 1.800 1.800 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.89758E-03 ppm1 1.328 ppm2 6.311 CV 1
ASSI { 2241}
( segid "SUPR" and resid 114 and name HB% )
(( segid "RNA1" and resid 5 and name H2' ))
4.300 2.300 1.700 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.51038E-03 ppm1 1.309 ppm2 4.181 CV 1
ASSI { 2242}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 111 and name HA ))
2.300 0.600 0.600 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.90687E-02 ppm1 1.321 ppm2 4.416 CV 1
ASSI { 2243}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 111 and name HB2 ))
3.800 1.800 1.800 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 1.318 ppm2 3.211 CV 1
ASSI { 2244}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 114 and name HA ))
2.100 0.500 0.500 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.15616E-01 ppm1 1.319 ppm2 3.872 CV 1
ASSI { 2245}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 119 and name HB1 ))
4.000 2.000 2.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.51968E-03 ppm1 4.486 ppm2 2.770 CV 1
ASSI { 2246}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 115 and name HB1 ))
2.400 0.700 0.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.39577E-02 ppm1 4.479 ppm2 1.804 CV 1
ASSI { 2247}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 115 and name HB2 ))
2.700 0.900 0.900 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.52346E-02 ppm1 4.484 ppm2 1.710 CV 1
ASSI { 2250}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 116 and name HD1 ))
2.100 0.600 0.600 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.11898E-01 ppm1 4.480 ppm2 3.808 CV 1
ASSI { 2251}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 116 and name HD2 ))
2.100 0.600 0.600 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.94838E-02 ppm1 4.480 ppm2 3.612 CV 1
ASSI { 2252}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 116 and name HG2 ))
4.600 2.600 1.400 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.10092E-02 ppm1 4.478 ppm2 1.999 CV 1
OR { 2252}
(( segid "SUPR" and resid 115 and name HA ))
(( segid "SUPR" and resid 116 and name HG1 ))
ASSI { 2256}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "RNA1" and resid 5 and name H3' ))
2.900 2.900 3.100 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.89685E-03 ppm1 1.717 ppm2 4.964 CV 1
OR { 2256}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "RNA1" and resid 5 and name H2' ))
OR { 2256}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "RNA1" and resid 5 and name H1' ))
OR { 2256}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "RNA1" and resid 5 and name H4' ))
ASSI { 2258}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 113 and name HA2 ))
2.400 2.400 3.600 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.33969E-02 ppm1 2.976 ppm2 3.282 CV 1
OR { 2258}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 113 and name HA2 ))
ASSI { 2259}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 115 and name HA ))
3.100 1.200 1.200 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 1.440 ppm2 4.470 CV 1
ASSI { 2262}
(( segid "SUPR" and resid 115 and name HG2 ))
(( segid "SUPR" and resid 115 and name HA ))
2.800 1.000 1.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 1.516 ppm2 4.474 CV 1
ASSI { 2263}
(( segid "SUPR" and resid 116 and name HA ))
(( segid "SUPR" and resid 116 and name HB1 ))
2.400 0.700 0.700 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.60176E-02 ppm1 4.425 ppm2 2.280 CV 1
ASSI { 2264}
(( segid "SUPR" and resid 116 and name HA ))
(( segid "SUPR" and resid 116 and name HB2 ))
3.300 1.400 1.400 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 4.428 ppm2 1.939 CV 1
ASSI { 2266}
(( segid "SUPR" and resid 116 and name HA ))
(( segid "SUPR" and resid 117 and name HB2 ))
2.900 2.900 3.100 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.37760E-02 ppm1 4.411 ppm2 1.871 CV 1
ASSI { 2267}
(( segid "SUPR" and resid 116 and name HA ))
(( segid "SUPR" and resid 117 and name HG2 ))
4.100 2.200 1.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.65700E-03 ppm1 4.424 ppm2 1.696 CV 1
OR { 2267}
(( segid "SUPR" and resid 116 and name HA ))
(( segid "SUPR" and resid 117 and name HG1 ))
ASSI { 2268}
(( segid "SUPR" and resid 116 and name HB1 ))
(( segid "SUPR" and resid 116 and name HB2 ))
1.900 0.400 0.400 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.98841E-02 ppm1 2.289 ppm2 1.875 CV 1
ASSI { 2274}
(( segid "SUPR" and resid 116 and name HD1 ))
(( segid "SUPR" and resid 116 and name HB1 ))
3.300 1.400 1.400 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 3.818 ppm2 2.275 CV 1
ASSI { 2275}
(( segid "SUPR" and resid 116 and name HD1 ))
(( segid "SUPR" and resid 116 and name HD2 ))
1.600 0.300 0.600 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.20524E-01 ppm1 3.816 ppm2 3.612 CV 1
ASSI { 2276}
(( segid "SUPR" and resid 116 and name HD1 ))
(( segid "SUPR" and resid 116 and name HG2 ))
2.900 1.100 1.100 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.42990E-02 ppm1 3.815 ppm2 2.006 CV 1
ASSI { 2277}
(( segid "SUPR" and resid 116 and name HD1 ))
(( segid "SUPR" and resid 117 and name HB2 ))
4.300 2.300 1.700 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 3.811 ppm2 1.873 CV 1
ASSI { 2279}
(( segid "SUPR" and resid 116 and name HD2 ))
(( segid "SUPR" and resid 115 and name HB1 ))
3.300 1.400 1.400 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.20079E-02 ppm1 3.620 ppm2 1.803 CV 1
ASSI { 2280}
(( segid "SUPR" and resid 116 and name HD2 ))
(( segid "SUPR" and resid 115 and name HB2 ))
3.900 1.900 1.900 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.17853E-02 ppm1 3.619 ppm2 1.708 CV 1
ASSI { 2281}
(( segid "SUPR" and resid 116 and name HD2 ))
(( segid "SUPR" and resid 116 and name HB1 ))
4.200 2.200 1.800 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.85309E-03 ppm1 3.607 ppm2 2.274 CV 1
ASSI { 2283}
(( segid "SUPR" and resid 116 and name HD2 ))
(( segid "SUPR" and resid 116 and name HG1 ))
2.900 1.000 1.000 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.39223E-02 ppm1 3.619 ppm2 2.019 CV 1
ASSI { 2284}
(( segid "SUPR" and resid 116 and name HD2 ))
(( segid "SUPR" and resid 117 and name HB2 ))
3.400 1.500 1.500 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 3.609 ppm2 1.870 CV 1
ASSI { 2285}
(( segid "SUPR" and resid 116 and name HG2 ))
(( segid "SUPR" and resid 116 and name HA ))
3.500 1.500 1.500 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.26879E-02 ppm1 2.021 ppm2 4.404 CV 1
OR { 2285}
(( segid "SUPR" and resid 116 and name HG1 ))
(( segid "SUPR" and resid 116 and name HA ))
ASSI { 2286}
(( segid "SUPR" and resid 116 and name HG2 ))
(( segid "SUPR" and resid 116 and name HB1 ))
2.600 0.800 0.800 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.42115E-02 ppm1 2.037 ppm2 2.273 CV 1
OR { 2286}
(( segid "SUPR" and resid 116 and name HG1 ))
(( segid "SUPR" and resid 116 and name HB1 ))
ASSI { 2287}
(( segid "SUPR" and resid 116 and name HG1 ))
(( segid "SUPR" and resid 116 and name HD1 ))
2.300 0.700 0.700 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.71000E-02 ppm1 2.020 ppm2 3.807 CV 1
OR { 2287}
(( segid "SUPR" and resid 116 and name HG2 ))
(( segid "SUPR" and resid 116 and name HD1 ))
ASSI { 2288}
(( segid "SUPR" and resid 116 and name HG2 ))
(( segid "SUPR" and resid 116 and name HD2 ))
2.300 0.700 0.700 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.66251E-02 ppm1 2.028 ppm2 3.610 CV 1
OR { 2288}
(( segid "SUPR" and resid 116 and name HG1 ))
(( segid "SUPR" and resid 116 and name HD2 ))
ASSI { 2289}
(( segid "SUPR" and resid 116 and name HG2 ))
(( segid "SUPR" and resid 117 and name HB2 ))
2.300 2.300 3.700 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.14121E-01 ppm1 2.026 ppm2 1.873 CV 1
OR { 2289}
(( segid "SUPR" and resid 116 and name HG1 ))
(( segid "SUPR" and resid 117 and name HB2 ))
ASSI { 2291}
(( segid "SUPR" and resid 117 and name HB1 ))
(( segid "SUPR" and resid 117 and name HD1 ))
2.700 0.900 0.900 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.41493E-02 ppm1 1.769 ppm2 3.191 CV 1
OR { 2291}
(( segid "SUPR" and resid 117 and name HB1 ))
(( segid "SUPR" and resid 117 and name HD2 ))
ASSI { 2292}
(( segid "SUPR" and resid 117 and name HB2 ))
(( segid "SUPR" and resid 117 and name HD1 ))
2.400 0.700 0.700 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.67730E-02 ppm1 1.869 ppm2 3.206 CV 1
OR { 2292}
(( segid "SUPR" and resid 117 and name HB2 ))
(( segid "SUPR" and resid 117 and name HD2 ))
ASSI { 2293}
(( segid "SUPR" and resid 117 and name HD1 ))
(( segid "SUPR" and resid 117 and name HA ))
3.300 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.41300E-02 ppm1 3.196 ppm2 4.456 CV 1
OR { 2293}
(( segid "SUPR" and resid 117 and name HD2 ))
(( segid "SUPR" and resid 117 and name HA ))
ASSI { 2295}
( segid "SUPR" and resid 118 and name HG2%)
(( segid "SUPR" and resid 117 and name HG2 ))
2.400 0.700 0.700 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.63097E-02 ppm1 1.192 ppm2 1.695 CV 1
ASSI { 2296}
(( segid "SUPR" and resid 119 and name HA ))
(( segid "SUPR" and resid 119 and name HB1 ))
3.700 1.700 1.700 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.69349E-03 ppm1 4.756 ppm2 2.762 CV 1
ASSI { 2297}
(( segid "SUPR" and resid 119 and name HA ))
(( segid "SUPR" and resid 119 and name HB2 ))
3.100 1.200 1.200 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 4.761 ppm2 2.842 CV 1
ASSI { 2298}
(( segid "SUPR" and resid 120 and name HB ))
( segid "SUPR" and resid 120 and name HG2%)
3.100 1.200 1.200 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 2.095 ppm2 0.918 CV 1
OR { 2298}
(( segid "SUPR" and resid 120 and name HB ))
( segid "SUPR" and resid 120 and name HG1%)
ASSI { 2}
(( segid "RNA1" and resid 5 and name H1' ))
(( segid "RNA1" and resid 6 and name H8 ))
4.200 2.200 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16639E-02 ppm1 6.277 ppm2 7.695 CV 1
ASSI { 3}
(( segid "RNA1" and resid 1 and name H2' ))
(( segid "RNA1" and resid 1 and name H1' ))
3.100 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.43018E-02 ppm1 4.717 ppm2 5.843 CV 1
ASSI { 4}
(( segid "RNA1" and resid 1 and name H3' ))
(( segid "RNA1" and resid 1 and name H1' ))
4.200 2.200 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 4.501 ppm2 5.834 CV 1
ASSI { 5}
(( segid "RNA1" and resid 1 and name H4' ))
(( segid "RNA1" and resid 1 and name H1' ))
3.300 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.31279E-02 ppm1 4.413 ppm2 5.841 CV 1
ASSI { 6}
(( segid "RNA1" and resid 1 and name H5''))
(( segid "RNA1" and resid 1 and name H1' ))
4.600 2.600 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 3.851 ppm2 5.839 CV 1
ASSI { 13}
(( segid "RNA1" and resid 2 and name H2' ))
(( segid "RNA1" and resid 2 and name H1' ))
3.200 1.300 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.41733E-02 ppm1 4.880 ppm2 5.906 CV 1
ASSI { 14}
(( segid "RNA1" and resid 2 and name H4' ))
(( segid "RNA1" and resid 2 and name H1' ))
3.500 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 4.523 ppm2 5.902 CV 1
ASSI { 17}
(( segid "RNA1" and resid 1 and name H2' ))
(( segid "RNA1" and resid 2 and name H8 ))
3.800 1.800 1.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.28693E-02 ppm1 4.739 ppm2 8.195 CV 1
ASSI { 18}
(( segid "RNA1" and resid 2 and name H1' ))
(( segid "RNA1" and resid 2 and name H8 ))
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.56220E-02 ppm1 5.901 ppm2 8.195 CV 1
ASSI { 19}
(( segid "RNA1" and resid 2 and name H2' ))
(( segid "RNA1" and resid 2 and name H8 ))
2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.78927E-02 ppm1 4.866 ppm2 8.195 CV 1
ASSI { 20}
(( segid "RNA1" and resid 2 and name H3' ))
(( segid "RNA1" and resid 2 and name H8 ))
3.900 1.900 1.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.83689E-02 ppm1 4.908 ppm2 8.195 CV 1
ASSI { 21}
(( segid "RNA1" and resid 2 and name H4' ))
(( segid "RNA1" and resid 2 and name H8 ))
4.400 2.500 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 4.522 ppm2 8.192 CV 1
ASSI { 22}
(( segid "RNA1" and resid 2 and name H5''))
(( segid "RNA1" and resid 2 and name H8 ))
3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 4.249 ppm2 8.193 CV 1
OR { 22}
(( segid "RNA1" and resid 2 and name H5' ))
(( segid "RNA1" and resid 2 and name H8 ))
ASSI { 23}
(( segid "RNA1" and resid 3 and name H2' ))
(( segid "RNA1" and resid 3 and name H1' ))
3.700 1.700 1.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 4.228 ppm2 5.812 CV 1
ASSI { 24}
(( segid "RNA1" and resid 3 and name H4' ))
(( segid "RNA1" and resid 3 and name H1' ))
4.800 2.800 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.37255E-03 ppm1 4.506 ppm2 5.815 CV 1
ASSI { 26}
(( segid "RNA1" and resid 3 and name H2' ))
(( segid "RNA1" and resid 3 and name H5 ))
4.900 3.000 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.22157E-02 ppm1 4.235 ppm2 5.904 CV 1
ASSI { 29}
(( segid "RNA1" and resid 3 and name H1' ))
(( segid "RNA1" and resid 3 and name H6 ))
3.900 1.900 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.19689E-02 ppm1 5.811 ppm2 7.693 CV 1
ASSI { 30}
(( segid "RNA1" and resid 3 and name H2' ))
(( segid "RNA1" and resid 3 and name H6 ))
2.300 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.63922E-02 ppm1 4.224 ppm2 7.689 CV 1
ASSI { 31}
(( segid "RNA1" and resid 3 and name H3' ))
(( segid "RNA1" and resid 3 and name H6 ))
4.300 2.300 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.35802E-02 ppm1 4.621 ppm2 7.691 CV 1
ASSI { 32}
(( segid "RNA1" and resid 3 and name H4' ))
(( segid "RNA1" and resid 3 and name H6 ))
4.700 2.700 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 4.495 ppm2 7.689 CV 1
ASSI { 33}
(( segid "RNA1" and resid 3 and name H5 ))
(( segid "RNA1" and resid 3 and name H6 ))
2.500 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.81696E-02 ppm1 5.904 ppm2 7.691 CV 1
ASSI { 34}
(( segid "RNA1" and resid 3 and name H5' ))
(( segid "RNA1" and resid 3 and name H6 ))
4.000 2.000 2.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17346E-02 ppm1 4.153 ppm2 7.687 CV 1
ASSI { 36}
(( segid "RNA1" and resid 4 and name H2' ))
(( segid "RNA1" and resid 4 and name H1' ))
3.000 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.19958E-02 ppm1 3.976 ppm2 6.210 CV 1
ASSI { 37}
(( segid "RNA1" and resid 4 and name H4' ))
(( segid "RNA1" and resid 4 and name H1' ))
3.300 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.22099E-02 ppm1 4.124 ppm2 6.208 CV 1
ASSI { 38}
(( segid "RNA1" and resid 4 and name H8 ))
(( segid "RNA1" and resid 4 and name H1' ))
2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.38000E-02 ppm1 8.127 ppm2 6.214 CV 1
ASSI { 40}
(( segid "RNA1" and resid 5 and name H2' ))
(( segid "RNA1" and resid 5 and name H1' ))
3.400 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17375E-02 ppm1 4.181 ppm2 6.301 CV 1
ASSI { 41}
(( segid "RNA1" and resid 5 and name H3' ))
(( segid "RNA1" and resid 5 and name H1' ))
4.000 2.000 2.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 4.933 ppm2 6.310 CV 1
ASSI { 42}
(( segid "RNA1" and resid 5 and name H4' ))
(( segid "RNA1" and resid 5 and name H1' ))
3.400 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.17346E-02 ppm1 4.643 ppm2 6.307 CV 1
ASSI { 43}
(( segid "RNA1" and resid 5 and name H1' ))
(( segid "RNA1" and resid 5 and name H6 ))
3.200 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.25592E-02 ppm1 6.306 ppm2 7.022 CV 1
ASSI { 44}
(( segid "RNA1" and resid 5 and name H2' ))
(( segid "RNA1" and resid 5 and name H6 ))
2.900 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.44068E-02 ppm1 4.180 ppm2 7.020 CV 1
ASSI { 45}
(( segid "RNA1" and resid 5 and name H3' ))
(( segid "RNA1" and resid 5 and name H6 ))
4.200 2.300 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 4.966 ppm2 7.024 CV 1
ASSI { 46}
(( segid "RNA1" and resid 5 and name H5 ))
(( segid "RNA1" and resid 5 and name H6 ))
2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.50062E-02 ppm1 4.895 ppm2 7.020 CV 1
ASSI { 47}
(( segid "RNA1" and resid 6 and name H2' ))
(( segid "RNA1" and resid 6 and name H1' ))
3.200 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29095E-02 ppm1 4.710 ppm2 6.035 CV 1
ASSI { 50}
(( segid "RNA1" and resid 6 and name H1' ))
(( segid "RNA1" and resid 6 and name H8 ))
3.400 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.46108E-02 ppm1 6.028 ppm2 7.782 CV 1
ASSI { 51}
(( segid "RNA1" and resid 6 and name H2' ))
(( segid "RNA1" and resid 6 and name H8 ))
2.400 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.98768E-02 ppm1 4.724 ppm2 7.780 CV 1
ASSI { 54}
(( segid "RNA1" and resid 6 and name H5''))
(( segid "RNA1" and resid 6 and name H8 ))
3.800 1.800 1.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 4.279 ppm2 7.780 CV 1
OR { 54}
(( segid "RNA1" and resid 6 and name H5' ))
(( segid "RNA1" and resid 6 and name H8 ))
ASSI { 55}
(( segid "RNA1" and resid 7 and name H5 ))
(( segid "RNA1" and resid 6 and name H8 ))
3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17964E-03 ppm1 6.172 ppm2 7.779 CV 1
ASSI { 57}
(( segid "RNA1" and resid 7 and name H2' ))
(( segid "RNA1" and resid 7 and name H1' ))
2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10817E-01 ppm1 4.347 ppm2 6.019 CV 1
ASSI { 58}
(( segid "RNA1" and resid 7 and name H2' ))
(( segid "RNA1" and resid 7 and name H5 ))
4.300 2.300 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.30911E-02 ppm1 4.352 ppm2 6.180 CV 1
ASSI { 59}
(( segid "RNA1" and resid 7 and name H6 ))
(( segid "RNA1" and resid 7 and name H5 ))
2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.77375E-02 ppm1 8.005 ppm2 6.178 CV 1
ASSI { 62}
(( segid "RNA1" and resid 7 and name H1' ))
(( segid "RNA1" and resid 7 and name H6 ))
3.300 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.49616E-02 ppm1 6.021 ppm2 8.009 CV 1
ASSI { 63}
(( segid "RNA1" and resid 7 and name H2' ))
(( segid "RNA1" and resid 7 and name H6 ))
2.000 0.500 0.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.15826E-01 ppm1 4.352 ppm2 8.008 CV 1
ASSI { 64}
(( segid "RNA1" and resid 7 and name H3' ))
(( segid "RNA1" and resid 7 and name H6 ))
3.900 1.900 1.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 4.728 ppm2 8.019 CV 1
ASSI { 66}
(( segid "RNA1" and resid 7 and name H5''))
(( segid "RNA1" and resid 7 and name H6 ))
2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.31488E-02 ppm1 4.203 ppm2 8.008 CV 1
ASSI { 5}
(( segid "SUPR" and resid 41 and name HA2 ))
(( segid "RNA1" and resid 3 and name H6 ))
3.700 3.700 2.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 3.971 ppm2 7.687 CV 1
ASSI { 10}
( segid "SUPR" and resid 67 and name HG2%)
(( segid "RNA1" and resid 6 and name H8 ))
4.700 2.700 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.13171E-02 ppm1 0.920 ppm2 7.778 CV 1
ASSI { 13}
( segid "SUPR" and resid 80 and name HE% )
(( segid "RNA1" and resid 6 and name H8 ))
3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 7.205 ppm2 7.779 CV 1
ASSI { 3}
(( segid "SUPR" and resid 49 and name HB2 ))
(( segid "SUPR" and resid 53 and name HB2 ))
3.400 3.400 2.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.24852E-02 ppm1 1.907 ppm2 2.277 CV 1
OR { 3}
(( segid "SUPR" and resid 84 and name HB2 ))
(( segid "SUPR" and resid 83 and name HB2 ))
ASSI { 20}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 67 and name HA ))
3.400 1.400 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.16934E-02 ppm1 4.791 ppm2 4.072 CV 1
OR { 20}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 48 and name HA ))
OR { 20}
(( segid "SUPR" and resid 68 and name HA ))
(( segid "SUPR" and resid 75 and name HB1 ))
OR { 20}
(( segid "SUPR" and resid 65 and name HA ))
(( segid "SUPR" and resid 67 and name HA ))
ASSI { 30}
(( segid "SUPR" and resid 56 and name HG1 ))
(( segid "SUPR" and resid 53 and name HA ))
3.200 1.300 1.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16411E-02 ppm1 2.420 ppm2 4.068 CV 1
OR { 30}
(( segid "SUPR" and resid 56 and name HG1 ))
(( segid "SUPR" and resid 57 and name HA ))
ASSI { 32}
(( segid "SUPR" and resid 98 and name HB2 ))
(( segid "SUPR" and resid 104 and name HA ))
3.500 3.500 2.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 1.541 ppm2 4.082 CV 1
OR { 32}
(( segid "SUPR" and resid 98 and name HB2 ))
(( segid "SUPR" and resid 51 and name HA ))
ASSI { 33}
(( segid "SUPR" and resid 116 and name HB1 ))
(( segid "SUPR" and resid 116 and name HA ))
2.200 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.79783E-02 ppm1 2.285 ppm2 4.403 CV 1
OR { 33}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 35 and name HA ))
ASSI { 40}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 50 and name HA ))
3.700 1.700 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.24402E-02 ppm1 2.075 ppm2 4.141 CV 1
OR { 40}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 49 and name HA ))
ASSI { 41}
(( segid "SUPR" and resid 53 and name HB2 ))
(( segid "SUPR" and resid 50 and name HA ))
2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.44594E-02 ppm1 2.265 ppm2 4.150 CV 1
OR { 41}
(( segid "SUPR" and resid 53 and name HB2 ))
(( segid "SUPR" and resid 49 and name HA ))
ASSI { 44}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 53 and name HA ))
2.300 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.70874E-02 ppm1 2.103 ppm2 4.043 CV 1
OR { 44}
(( segid "SUPR" and resid 90 and name HB1 ))
(( segid "SUPR" and resid 90 and name HA ))
ASSI { 48}
(( segid "SUPR" and resid 94 and name HB2 ))
(( segid "SUPR" and resid 91 and name HA ))
2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 1.916 ppm2 3.969 CV 1
OR { 48}
(( segid "SUPR" and resid 49 and name HB2 ))
(( segid "SUPR" and resid 47 and name HB1 ))
ASSI { 59}
(( segid "SUPR" and resid 67 and name HG12))
(( segid "SUPR" and resid 67 and name HA ))
3.500 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 1.148 ppm2 4.096 CV 1
OR { 59}
(( segid "SUPR" and resid 99 and name HG12))
(( segid "SUPR" and resid 104 and name HA ))
ASSI { 63}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 113 and name HA1 ))
2.700 2.700 3.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.35251E-02 ppm1 1.412 ppm2 4.327 CV 1
OR { 63}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 118 and name HA ))
ASSI { 64}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 47 and name HB2 ))
2.400 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.63123E-02 ppm1 1.429 ppm2 4.417 CV 1
OR { 64}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 50 and name HB ))
OR { 64}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 47 and name HB2 ))
OR { 64}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 50 and name HB ))
ASSI { 65}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 51 and name HA ))
3.600 1.600 1.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 1.142 ppm2 4.116 CV 1
OR { 65}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 50 and name HA ))
OR { 65}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 77 and name HA2 ))
OR { 65}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 49 and name HA ))
ASSI { 67}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 41 and name HA2 ))
4.100 2.100 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.84669E-03 ppm1 0.610 ppm2 3.932 CV 1
OR { 67}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 79 and name HA2 ))
ASSI { 68}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 34 and name HA ))
2.600 2.600 3.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.43787E-02 ppm1 0.899 ppm2 4.971 CV 1
OR { 68}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 108 and name HA ))
ASSI { 69}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 35 and name HB ))
2.700 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.37254E-02 ppm1 1.170 ppm2 4.592 CV 1
OR { 69}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 32 and name HB ))
ASSI { 72}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 64 and name HA ))
3.300 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13896E-02 ppm1 0.625 ppm2 5.249 CV 1
OR { 72}
( segid "SUPR" and resid 61 and name HG2%)
(( segid "SUPR" and resid 82 and name HA ))
ASSI { 76}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 71 and name HB1 ))
2.900 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.34636E-02 ppm1 1.196 ppm2 2.861 CV 1
OR { 76}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HE1 ))
ASSI { 79}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 83 and name HB2 ))
3.600 1.600 1.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.15282E-02 ppm1 1.200 ppm2 2.303 CV 1
OR { 79}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 73 and name HG1 ))
OR { 79}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 73 and name HG2 ))
ASSI { 80}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 73 and name HB1 ))
3.100 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.22596E-02 ppm1 0.985 ppm2 2.385 CV 1
OR { 80}
( segid "SUPR" and resid 65 and name HG2%)
(( segid "SUPR" and resid 63 and name HG2 ))
OR { 80}
( segid "SUPR" and resid 68 and name HG2%)
(( segid "SUPR" and resid 73 and name HB2 ))
ASSI { 83}
(( segid "SUPR" and resid 36 and name HG2 ))
(( segid "SUPR" and resid 36 and name HE1 ))
2.900 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.27155E-02 ppm1 1.418 ppm2 2.838 CV 1
OR { 83}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 119 and name HB2 ))
ASSI { 86}
(( segid "SUPR" and resid 117 and name HG1 ))
(( segid "SUPR" and resid 117 and name HD2 ))
2.300 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.79837E-02 ppm1 1.644 ppm2 3.180 CV 1
OR { 86}
(( segid "SUPR" and resid 30 and name HG1 ))
(( segid "SUPR" and resid 30 and name HD2 ))
OR { 86}
(( segid "SUPR" and resid 30 and name HG2 ))
(( segid "SUPR" and resid 30 and name HD2 ))
OR { 86}
(( segid "SUPR" and resid 30 and name HG1 ))
(( segid "SUPR" and resid 30 and name HD1 ))
OR { 86}
(( segid "SUPR" and resid 30 and name HG2 ))
(( segid "SUPR" and resid 30 and name HD1 ))
OR { 86}
(( segid "SUPR" and resid 117 and name HG1 ))
(( segid "SUPR" and resid 117 and name HD1 ))
ASSI { 92}
(( segid "SUPR" and resid 91 and name HG1 ))
(( segid "SUPR" and resid 90 and name HB2 ))
3.400 1.500 1.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.99272E-03 ppm1 1.735 ppm2 2.284 CV 1
OR { 92}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 53 and name HG1 ))
OR { 92}
(( segid "SUPR" and resid 49 and name HD1 ))
(( segid "SUPR" and resid 53 and name HG1 ))
OR { 92}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 53 and name HB2 ))
ASSI { 93}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 84 and name HE1 ))
2.100 0.600 0.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.13175E-01 ppm1 1.731 ppm2 2.997 CV 1
OR { 93}
(( segid "SUPR" and resid 49 and name HD1 ))
(( segid "SUPR" and resid 49 and name HE1 ))
OR { 93}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 49 and name HE2 ))
OR { 93}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 84 and name HE2 ))
OR { 93}
(( segid "SUPR" and resid 49 and name HD1 ))
(( segid "SUPR" and resid 49 and name HE2 ))
OR { 93}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 49 and name HE1 ))
OR { 93}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 84 and name HE2 ))
OR { 93}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 84 and name HE1 ))
ASSI { 94}
(( segid "SUPR" and resid 86 and name HB2 ))
(( segid "SUPR" and resid 86 and name HD2 ))
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 1.894 ppm2 3.042 CV 1
OR { 94}
(( segid "SUPR" and resid 86 and name HB1 ))
(( segid "SUPR" and resid 86 and name HD2 ))
OR { 94}
(( segid "SUPR" and resid 86 and name HB1 ))
(( segid "SUPR" and resid 85 and name HB1 ))
ASSI { 95}
(( segid "SUPR" and resid 86 and name HB2 ))
(( segid "SUPR" and resid 86 and name HD1 ))
2.900 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.39362E-02 ppm1 1.899 ppm2 2.973 CV 1
OR { 95}
(( segid "SUPR" and resid 86 and name HB1 ))
(( segid "SUPR" and resid 86 and name HD1 ))
OR { 95}
(( segid "SUPR" and resid 86 and name HB1 ))
(( segid "SUPR" and resid 85 and name HB1 ))
ASSI { 96}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 30 and name HD1 ))
3.000 3.000 3.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.84880E-03 ppm1 1.709 ppm2 3.206 CV 1
OR { 96}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 30 and name HD2 ))
OR { 96}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 30 and name HD1 ))
OR { 96}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 30 and name HD2 ))
OR { 96}
(( segid "SUPR" and resid 49 and name HD1 ))
(( segid "SUPR" and resid 55 and name HB2 ))
OR { 96}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 55 and name HB2 ))
ASSI { 100}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 73 and name HG2 ))
3.200 3.200 2.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.14190E-02 ppm1 1.709 ppm2 2.320 CV 1
OR { 100}
(( segid "SUPR" and resid 37 and name HG11))
(( segid "SUPR" and resid 36 and name HE2 ))
OR { 100}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 73 and name HG1 ))
OR { 100}
(( segid "SUPR" and resid 37 and name HG11))
(( segid "SUPR" and resid 91 and name HB1 ))
ASSI { 101}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 69 and name HB1 ))
3.400 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.80766E-03 ppm1 1.696 ppm2 2.499 CV 1
OR { 101}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 78 and name HB1 ))
ASSI { 108}
(( segid "SUPR" and resid 53 and name HB1 ))
(( segid "SUPR" and resid 53 and name HB2 ))
1.800 0.400 0.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16712E-01 ppm1 2.084 ppm2 2.264 CV 1
OR { 108}
(( segid "SUPR" and resid 121 and name HB1 ))
(( segid "SUPR" and resid 121 and name HG1 ))
OR { 108}
(( segid "SUPR" and resid 121 and name HB1 ))
(( segid "SUPR" and resid 121 and name HG2 ))
ASSI { 110}
(( segid "SUPR" and resid 115 and name HB2 ))
(( segid "SUPR" and resid 119 and name HB1 ))
3.900 1.900 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.65747E-03 ppm1 1.675 ppm2 2.784 CV 1
OR { 110}
(( segid "SUPR" and resid 104 and name HB2 ))
(( segid "SUPR" and resid 97 and name HB2 ))
ASSI { 112}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 43 and name HG1 ))
2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.36920E-02 ppm1 2.080 ppm2 2.202 CV 1
OR { 112}
(( segid "SUPR" and resid 43 and name HB1 ))
(( segid "SUPR" and resid 101 and name HB1 ))
ASSI { 115}
(( segid "SUPR" and resid 117 and name HD1 ))
(( segid "SUPR" and resid 117 and name HB1 ))
2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.38315E-02 ppm1 3.197 ppm2 1.771 CV 1
OR { 115}
(( segid "SUPR" and resid 117 and name HD2 ))
(( segid "SUPR" and resid 117 and name HB1 ))
OR { 115}
(( segid "SUPR" and resid 30 and name HD1 ))
(( segid "SUPR" and resid 30 and name HB1 ))
OR { 115}
(( segid "SUPR" and resid 30 and name HD2 ))
(( segid "SUPR" and resid 30 and name HB1 ))
ASSI { 117}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 90 and name HB1 ))
2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.16116E-02 ppm1 2.978 ppm2 2.099 CV 1
OR { 117}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 90 and name HB1 ))
OR { 117}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 62 and name HG2 ))
OR { 117}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 62 and name HG2 ))
OR { 117}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 62 and name HG1 ))
OR { 117}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 91 and name HG2 ))
OR { 117}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 91 and name HG2 ))
OR { 117}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 62 and name HG1 ))
OR { 117}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 91 and name HB2 ))
OR { 117}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 91 and name HB2 ))
OR { 117}
(( segid "SUPR" and resid 108 and name HB1 ))
(( segid "SUPR" and resid 109 and name HG ))
ASSI { 118}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 94 and name HD2 ))
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.35550E-02 ppm1 3.017 ppm2 1.772 CV 1
OR { 118}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 94 and name HD2 ))
OR { 118}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HB1 ))
OR { 118}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 94 and name HB1 ))
OR { 118}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 94 and name HB1 ))
OR { 118}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HB1 ))
ASSI { 119}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HG2 ))
3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 3.018 ppm2 1.547 CV 1
OR { 119}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 94 and name HG1 ))
OR { 119}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HG2 ))
OR { 119}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 94 and name HG1 ))
ASSI { 120}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HG2 ))
3.000 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23703E-02 ppm1 3.003 ppm2 1.480 CV 1
OR { 120}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HG2 ))
OR { 120}
(( segid "SUPR" and resid 49 and name HE1 ))
(( segid "SUPR" and resid 49 and name HG2 ))
OR { 120}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HG2 ))
ASSI { 121}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HG1 ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 3.007 ppm2 1.438 CV 1
OR { 121}
(( segid "SUPR" and resid 49 and name HE1 ))
(( segid "SUPR" and resid 49 and name HG2 ))
OR { 121}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HG2 ))
OR { 121}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HG1 ))
ASSI { 122}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 84 and name HD2 ))
2.000 0.500 0.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.18438E-01 ppm1 2.992 ppm2 1.716 CV 1
OR { 122}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 94 and name HE2 ))
(( segid "SUPR" and resid 94 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 49 and name HE1 ))
(( segid "SUPR" and resid 49 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 84 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 49 and name HE1 ))
(( segid "SUPR" and resid 49 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 84 and name HD2 ))
OR { 122}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 84 and name HD1 ))
OR { 122}
(( segid "SUPR" and resid 94 and name HE1 ))
(( segid "SUPR" and resid 94 and name HD2 ))
ASSI { 125}
(( segid "SUPR" and resid 97 and name HB2 ))
(( segid "SUPR" and resid 104 and name HG2 ))
3.000 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.18816E-02 ppm1 2.789 ppm2 1.321 CV 1
OR { 125}
(( segid "SUPR" and resid 97 and name HB2 ))
(( segid "SUPR" and resid 104 and name HG1 ))
OR { 125}
(( segid "SUPR" and resid 108 and name HB2 ))
(( segid "SUPR" and resid 112 and name HB2 ))
OR { 125}
(( segid "SUPR" and resid 36 and name HE1 ))
( segid "SUPR" and resid 114 and name HB% )
OR { 125}
(( segid "SUPR" and resid 97 and name HB2 ))
( segid "SUPR" and resid 105 and name HB% )
ASSI { 129}
(( segid "SUPR" and resid 84 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.38383E-02 ppm1 1.789 ppm2 1.371 CV 1
OR { 129}
(( segid "SUPR" and resid 84 and name HB1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 129}
(( segid "SUPR" and resid 49 and name HB1 ))
(( segid "SUPR" and resid 49 and name HG1 ))
ASSI { 136}
(( segid "SUPR" and resid 62 and name HB2 ))
( segid "SUPR" and resid 61 and name HG2%)
4.400 2.500 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.66121E-03 ppm1 1.832 ppm2 0.593 CV 1
OR { 136}
(( segid "SUPR" and resid 62 and name HB2 ))
( segid "SUPR" and resid 81 and name HG1%)
ASSI { 138}
(( segid "SUPR" and resid 76 and name HG1 ))
(( segid "SUPR" and resid 76 and name HG2 ))
1.800 0.400 0.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.13168E-01 ppm1 1.750 ppm2 1.580 CV 1
OR { 138}
(( segid "SUPR" and resid 94 and name HD2 ))
(( segid "SUPR" and resid 94 and name HG1 ))
OR { 138}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 103 and name HB2 ))
OR { 138}
(( segid "SUPR" and resid 94 and name HD2 ))
(( segid "SUPR" and resid 94 and name HG2 ))
ASSI { 149}
(( segid "SUPR" and resid 42 and name HG ))
( segid "SUPR" and resid 51 and name HD1%)
3.400 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.90019E-03 ppm1 1.236 ppm2 0.539 CV 1
OR { 149}
(( segid "SUPR" and resid 42 and name HG ))
( segid "SUPR" and resid 66 and name HG2%)
OR { 149}
(( segid "SUPR" and resid 42 and name HG ))
( segid "SUPR" and resid 39 and name HG2%)
ASSI { 159}
(( segid "SUPR" and resid 115 and name HG1 ))
( segid "SUPR" and resid 120 and name HG2%)
3.700 1.700 1.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10222E-02 ppm1 1.422 ppm2 0.968 CV 1
OR { 159}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 51 and name HG ))
OR { 159}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 51 and name HG ))
OR { 159}
(( segid "SUPR" and resid 49 and name HG2 ))
( segid "SUPR" and resid 51 and name HD2%)
OR { 159}
(( segid "SUPR" and resid 49 and name HG1 ))
( segid "SUPR" and resid 51 and name HD2%)
OR { 159}
(( segid "SUPR" and resid 115 and name HG1 ))
( segid "SUPR" and resid 120 and name HG1%)
ASSI { 160}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.11698E-01 ppm1 1.707 ppm2 1.382 CV 1
OR { 160}
(( segid "SUPR" and resid 49 and name HD1 ))
(( segid "SUPR" and resid 49 and name HG1 ))
OR { 160}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 160}
(( segid "SUPR" and resid 49 and name HD2 ))
(( segid "SUPR" and resid 49 and name HG1 ))
OR { 160}
(( segid "SUPR" and resid 84 and name HD2 ))
(( segid "SUPR" and resid 84 and name HG2 ))
OR { 160}
(( segid "SUPR" and resid 84 and name HD1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
ASSI { 161}
(( segid "SUPR" and resid 84 and name HD2 ))
( segid "SUPR" and resid 61 and name HG2%)
3.300 3.300 2.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 1.715 ppm2 0.569 CV 1
OR { 161}
(( segid "SUPR" and resid 84 and name HD1 ))
( segid "SUPR" and resid 61 and name HG2%)
OR { 161}
(( segid "SUPR" and resid 49 and name HD1 ))
( segid "SUPR" and resid 66 and name HG2%)
OR { 161}
(( segid "SUPR" and resid 49 and name HD2 ))
( segid "SUPR" and resid 66 and name HG2%)
OR { 161}
(( segid "SUPR" and resid 84 and name HD2 ))
( segid "SUPR" and resid 81 and name HG1%)
OR { 161}
(( segid "SUPR" and resid 91 and name HG1 ))
(( segid "SUPR" and resid 37 and name HG12))
OR { 161}
(( segid "SUPR" and resid 49 and name HD1 ))
( segid "SUPR" and resid 51 and name HD1%)
OR { 161}
(( segid "SUPR" and resid 49 and name HD2 ))
( segid "SUPR" and resid 51 and name HD1%)
OR { 161}
(( segid "SUPR" and resid 49 and name HD2 ))
( segid "SUPR" and resid 61 and name HG2%)
OR { 161}
(( segid "SUPR" and resid 49 and name HD1 ))
( segid "SUPR" and resid 61 and name HG2%)
ASSI { 162}
(( segid "SUPR" and resid 104 and name HD1 ))
(( segid "SUPR" and resid 99 and name HG11))
2.000 2.000 4.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.79566E-02 ppm1 1.664 ppm2 1.470 CV 1
OR { 162}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 99 and name HG11))
OR { 162}
(( segid "SUPR" and resid 104 and name HD2 ))
(( segid "SUPR" and resid 103 and name HB1 ))
ASSI { 163}
(( segid "SUPR" and resid 62 and name HB2 ))
(( segid "SUPR" and resid 62 and name HB1 ))
1.600 0.300 0.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.29841E-01 ppm1 1.849 ppm2 1.696 CV 1
OR { 163}
(( segid "SUPR" and resid 86 and name HB1 ))
(( segid "SUPR" and resid 86 and name HG1 ))
OR { 163}
(( segid "SUPR" and resid 117 and name HB2 ))
(( segid "SUPR" and resid 117 and name HG2 ))
OR { 163}
(( segid "SUPR" and resid 30 and name HB2 ))
(( segid "SUPR" and resid 30 and name HG1 ))
OR { 163}
(( segid "SUPR" and resid 117 and name HB2 ))
(( segid "SUPR" and resid 117 and name HG1 ))
ASSI { 165}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 37 and name HG12))
3.700 1.800 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 1.388 ppm2 0.610 CV 1
OR { 165}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 112 and name HD2%)
ASSI { 168}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 92 and name HA ))
3.800 1.800 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.75530E-03 ppm1 1.562 ppm2 1.997 CV 1
OR { 168}
(( segid "SUPR" and resid 94 and name HG1 ))
(( segid "SUPR" and resid 92 and name HA ))
OR { 168}
(( segid "SUPR" and resid 94 and name HG2 ))
(( segid "SUPR" and resid 107 and name HB ))
ASSI { 169}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 49 and name HB1 ))
2.300 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.70138E-02 ppm1 1.472 ppm2 1.806 CV 1
OR { 169}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 115 and name HB1 ))
OR { 169}
(( segid "SUPR" and resid 115 and name HG2 ))
(( segid "SUPR" and resid 115 and name HB1 ))
ASSI { 170}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 49 and name HB1 ))
2.300 0.600 0.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.87630E-02 ppm1 1.422 ppm2 1.839 CV 1
OR { 170}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 115 and name HB1 ))
OR { 170}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 49 and name HB1 ))
ASSI { 172}
(( segid "SUPR" and resid 115 and name HG1 ))
(( segid "SUPR" and resid 115 and name HB1 ))
2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.58479E-02 ppm1 1.394 ppm2 1.803 CV 1
OR { 172}
(( segid "SUPR" and resid 49 and name HG1 ))
(( segid "SUPR" and resid 49 and name HB1 ))
ASSI { 177}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 42 and name HB1 ))
2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.74970E-02 ppm1 0.619 ppm2 1.107 CV 1
OR { 177}
( segid "SUPR" and resid 42 and name HD2%)
( segid "SUPR" and resid 46 and name HG2%)
ASSI { 178}
( segid "SUPR" and resid 66 and name HG2%)
( segid "SUPR" and resid 67 and name HD1%)
3.600 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 0.562 ppm2 0.784 CV 1
OR { 178}
( segid "SUPR" and resid 81 and name HG1%)
( segid "SUPR" and resid 35 and name HG2%)
ASSI { 179}
( segid "SUPR" and resid 66 and name HG2%)
( segid "SUPR" and resid 42 and name HD1%)
2.200 2.200 3.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.51638E-02 ppm1 0.558 ppm2 0.430 CV 1
OR { 179}
( segid "SUPR" and resid 66 and name HG2%)
( segid "SUPR" and resid 100 and name HG2%)
OR { 179}
( segid "SUPR" and resid 81 and name HG1%)
( segid "SUPR" and resid 42 and name HD1%)
ASSI { 183}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 43 and name HB2 ))
4.000 2.000 2.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.88650E-03 ppm1 1.149 ppm2 1.590 CV 1
OR { 183}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 103 and name HB2 ))
ASSI { 189}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 36 and name HG1 ))
2.200 2.200 3.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.12389E-01 ppm1 1.205 ppm2 0.941 CV 1
OR { 189}
( segid "SUPR" and resid 118 and name HG2%)
( segid "SUPR" and resid 120 and name HG2%)
OR { 189}
( segid "SUPR" and resid 118 and name HG2%)
( segid "SUPR" and resid 120 and name HG1%)
OR { 189}
( segid "SUPR" and resid 82 and name HG2%)
( segid "SUPR" and resid 109 and name HD2%)
OR { 189}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 61 and name HG12))
OR { 189}
( segid "SUPR" and resid 72 and name HG2%)
( segid "SUPR" and resid 68 and name HG2%)
ASSI { 191}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 36 and name HD2 ))
2.900 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.43855E-02 ppm1 1.205 ppm2 1.603 CV 1
OR { 191}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HD1 ))
OR { 191}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HD2 ))
OR { 191}
( segid "SUPR" and resid 82 and name HG2%)
( segid "SUPR" and resid 89 and name HB% )
OR { 191}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HB1 ))
ASSI { 192}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 62 and name HB2 ))
2.900 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.39144E-02 ppm1 1.179 ppm2 1.820 CV 1
OR { 192}
( segid "SUPR" and resid 118 and name HG2%)
(( segid "SUPR" and resid 115 and name HB1 ))
OR { 192}
( segid "SUPR" and resid 72 and name HG2%)
(( segid "SUPR" and resid 74 and name HB2 ))
ASSI { 193}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 63 and name HB1 ))
2.700 2.700 3.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.57707E-02 ppm1 1.183 ppm2 2.023 CV 1
OR { 193}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 83 and name HG1 ))
ASSI { 208}
(( segid "SUPR" and resid 98 and name HB1 ))
(( segid "SUPR" and resid 95 and name HB2 ))
3.300 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.74716E-03 ppm1 2.114 ppm2 2.818 CV 1
OR { 208}
(( segid "SUPR" and resid 120 and name HB ))
(( segid "SUPR" and resid 119 and name HB1 ))
OR { 208}
(( segid "SUPR" and resid 120 and name HB ))
(( segid "SUPR" and resid 119 and name HB2 ))
OR { 208}
(( segid "SUPR" and resid 98 and name HB1 ))
(( segid "SUPR" and resid 97 and name HB2 ))
ASSI { 212}
(( segid "SUPR" and resid 67 and name HG11))
( segid "SUPR" and resid 80 and name HD% )
3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.69402E-03 ppm1 1.377 ppm2 6.624 CV 1
OR { 212}
(( segid "SUPR" and resid 67 and name HG11))
( segid "SUPR" and resid 78 and name HE% )
ASSI { 213}
(( segid "SUPR" and resid 67 and name HG12))
( segid "SUPR" and resid 80 and name HD% )
3.600 1.600 1.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.55226E-03 ppm1 1.192 ppm2 6.622 CV 1
OR { 213}
(( segid "SUPR" and resid 67 and name HG12))
( segid "SUPR" and resid 78 and name HE% )
ASSI { 220}
(( segid "SUPR" and resid 87 and name HA ))
(( segid "SUPR" and resid 86 and name HG1 ))
4.000 2.000 2.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.91135E-03 ppm1 4.237 ppm2 1.650 CV 1
OR { 220}
(( segid "SUPR" and resid 101 and name HA ))
(( segid "SUPR" and resid 43 and name HB2 ))
ASSI { 224}
(( segid "SUPR" and resid 71 and name HA ))
(( segid "SUPR" and resid 70 and name HB2 ))
3.500 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.76393E-03 ppm1 4.254 ppm2 1.924 CV 1
OR { 224}
(( segid "SUPR" and resid 87 and name HA ))
(( segid "SUPR" and resid 86 and name HB2 ))
OR { 224}
(( segid "SUPR" and resid 87 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
ASSI { 231}
(( segid "SUPR" and resid 60 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
4.200 2.200 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.52471E-03 ppm1 4.733 ppm2 1.917 CV 1
OR { 231}
(( segid "SUPR" and resid 60 and name HA ))
(( segid "SUPR" and resid 84 and name HB2 ))
ASSI { 234}
(( segid "SUPR" and resid 56 and name HA ))
(( segid "SUPR" and resid 56 and name HG2 ))
3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18217E-02 ppm1 4.439 ppm2 2.608 CV 1
OR { 234}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 60 and name HB2 ))
OR { 234}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 83 and name HB1 ))
ASSI { 235}
(( segid "SUPR" and resid 56 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
3.500 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.81598E-03 ppm1 4.439 ppm2 1.934 CV 1
OR { 235}
(( segid "SUPR" and resid 62 and name HA ))
(( segid "SUPR" and resid 84 and name HB2 ))
ASSI { 236}
(( segid "SUPR" and resid 53 and name HA ))
(( segid "SUPR" and resid 53 and name HG2 ))
2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.39881E-02 ppm1 4.082 ppm2 2.625 CV 1
OR { 236}
(( segid "SUPR" and resid 53 and name HA ))
(( segid "SUPR" and resid 56 and name HG2 ))
ASSI { 239}
(( segid "SUPR" and resid 91 and name HA ))
(( segid "SUPR" and resid 91 and name HG1 ))
2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.51774E-02 ppm1 3.984 ppm2 1.725 CV 1
OR { 239}
(( segid "SUPR" and resid 91 and name HA ))
(( segid "SUPR" and resid 94 and name HD2 ))
ASSI { 241}
(( segid "SUPR" and resid 33 and name HA ))
(( segid "SUPR" and resid 111 and name HB1 ))
3.400 1.400 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.79584E-03 ppm1 3.751 ppm2 2.958 CV 1
OR { 241}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 48 and name HB1 ))
ASSI { 243}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 62 and name HB1 ))
4.500 2.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.68021E-03 ppm1 4.101 ppm2 1.723 CV 1
OR { 243}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 84 and name HB1 ))
OR { 243}
(( segid "SUPR" and resid 61 and name HA ))
(( segid "SUPR" and resid 84 and name HD2 ))
ASSI { 244}
(( segid "SUPR" and resid 120 and name HA ))
(( segid "SUPR" and resid 120 and name HB ))
3.600 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.89054E-03 ppm1 4.129 ppm2 2.094 CV 1
OR { 244}
(( segid "SUPR" and resid 54 and name HA ))
(( segid "SUPR" and resid 53 and name HB1 ))
ASSI { 248}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 61 and name HB ))
4.300 2.300 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.74029E-03 ppm1 3.752 ppm2 1.476 CV 1
OR { 248}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
OR { 248}
(( segid "SUPR" and resid 33 and name HA ))
( segid "SUPR" and resid 33 and name HE% )
ASSI { 249}
(( segid "SUPR" and resid 100 and name HA ))
( segid "SUPR" and resid 99 and name HG2%)
3.500 1.600 1.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.11650E-02 ppm1 3.766 ppm2 0.541 CV 1
OR { 249}
(( segid "SUPR" and resid 52 and name HA ))
( segid "SUPR" and resid 81 and name HG1%)
OR { 249}
(( segid "SUPR" and resid 52 and name HA ))
( segid "SUPR" and resid 51 and name HD1%)
ASSI { 250}
(( segid "SUPR" and resid 84 and name HA ))
(( segid "SUPR" and resid 84 and name HG1 ))
2.600 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45231E-02 ppm1 4.114 ppm2 1.376 CV 1
OR { 250}
(( segid "SUPR" and resid 84 and name HA ))
(( segid "SUPR" and resid 84 and name HG2 ))
OR { 250}
(( segid "SUPR" and resid 67 and name HA ))
(( segid "SUPR" and resid 67 and name HG11))
ASSI { 251}
(( segid "SUPR" and resid 67 and name HA ))
( segid "SUPR" and resid 67 and name HD1%)
2.100 0.500 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.12538E-01 ppm1 4.105 ppm2 0.798 CV 1
OR { 251}
(( segid "SUPR" and resid 86 and name HA ))
( segid "SUPR" and resid 35 and name HG2%)
ASSI { 252}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 42 and name HD2%)
4.900 3.000 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.54972E-03 ppm1 4.109 ppm2 0.633 CV 1
OR { 252}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 39 and name HG1%)
ASSI { 253}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 46 and name HG2%)
3.700 1.700 1.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 4.103 ppm2 1.113 CV 1
OR { 253}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 99 and name HG12))
OR { 253}
(( segid "SUPR" and resid 48 and name HA ))
( segid "SUPR" and resid 46 and name HG2%)
ASSI { 255}
(( segid "SUPR" and resid 56 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
3.000 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 4.432 ppm2 1.532 CV 1
OR { 255}
(( segid "SUPR" and resid 56 and name HA ))
(( segid "SUPR" and resid 61 and name HB ))
OR { 255}
(( segid "SUPR" and resid 56 and name HA ))
(( segid "SUPR" and resid 57 and name HB2 ))
ASSI { 256}
(( segid "SUPR" and resid 62 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
3.700 1.700 1.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.14047E-02 ppm1 4.425 ppm2 0.599 CV 1
OR { 256}
(( segid "SUPR" and resid 56 and name HA ))
( segid "SUPR" and resid 61 and name HG2%)
ASSI { 260}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 51 and name HD1%)
2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.34938E-02 ppm1 4.071 ppm2 0.563 CV 1
OR { 260}
(( segid "SUPR" and resid 48 and name HA ))
( segid "SUPR" and resid 66 and name HG2%)
OR { 260}
(( segid "SUPR" and resid 104 and name HA ))
( segid "SUPR" and resid 99 and name HG2%)
OR { 260}
(( segid "SUPR" and resid 48 and name HA ))
( segid "SUPR" and resid 51 and name HD1%)
ASSI { 261}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 99 and name HG11))
4.000 2.000 2.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 4.119 ppm2 1.453 CV 1
OR { 261}
(( segid "SUPR" and resid 51 and name HA ))
(( segid "SUPR" and resid 39 and name HB ))
ASSI { 269}
(( segid "SUPR" and resid 63 and name HA ))
( segid "SUPR" and resid 65 and name HG1%)
3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.97927E-03 ppm1 4.537 ppm2 0.936 CV 1
OR { 269}
(( segid "SUPR" and resid 76 and name HA ))
( segid "SUPR" and resid 67 and name HG2%)
OR { 269}
(( segid "SUPR" and resid 63 and name HA ))
( segid "SUPR" and resid 65 and name HG2%)
OR { 269}
(( segid "SUPR" and resid 76 and name HA ))
(( segid "SUPR" and resid 67 and name HB ))
OR { 269}
(( segid "SUPR" and resid 63 and name HA ))
(( segid "SUPR" and resid 61 and name HG12))
ASSI { 296}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 37 and name HB ))
3.700 1.800 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.70355E-03 ppm1 7.278 ppm2 1.939 CV 1
OR { 296}
( segid "SUPR" and resid 34 and name HD% )
(( segid "SUPR" and resid 86 and name HB2 ))
OR { 296}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 98 and name HG1 ))
OR { 296}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 51 and name HB1 ))
OR { 296}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 92 and name HA ))
OR { 296}
( segid "SUPR" and resid 34 and name HD% )
(( segid "SUPR" and resid 109 and name HB2 ))
ASSI { 307}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 51 and name HA ))
4.000 2.000 2.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.53499E-03 ppm1 7.303 ppm2 4.122 CV 1
OR { 307}
( segid "SUPR" and resid 55 and name HE% )
(( segid "SUPR" and resid 89 and name HA ))
ASSI { 322}
( segid "SUPR" and resid 55 and name HE% )
( segid "SUPR" and resid 54 and name HE% )
4.100 2.100 1.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.49918E-03 ppm1 7.311 ppm2 6.454 CV 1
OR { 322}
( segid "SUPR" and resid 58 and name HD% )
( segid "SUPR" and resid 54 and name HE% )
ASSI { 325}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 92 and name HB% )
4.200 2.200 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.59553E-03 ppm1 0.346 ppm2 1.411 CV 1
OR { 325}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 39 and name HB ))
OR { 325}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 325}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 84 and name HG2 ))
ASSI { 332}
(( segid "SUPR" and resid 71 and name HB2 ))
(( segid "SUPR" and resid 70 and name HD2 ))
3.000 3.000 3.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.95900E-03 ppm1 2.992 ppm2 3.206 CV 1
OR { 332}
(( segid "SUPR" and resid 71 and name HB2 ))
(( segid "SUPR" and resid 70 and name HD1 ))
OR { 332}
(( segid "SUPR" and resid 48 and name HB1 ))
(( segid "SUPR" and resid 55 and name HB2 ))
ASSI { 335}
(( segid "SUPR" and resid 52 and name HA ))
(( segid "SUPR" and resid 55 and name HB1 ))
5.000 3.200 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.40306E-03 ppm1 3.758 ppm2 2.884 CV 1
OR { 335}
(( segid "SUPR" and resid 100 and name HA ))
(( segid "SUPR" and resid 54 and name HB1 ))
ASSI { 336}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 61 and name HG12))
3.700 3.700 2.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.10067E-02 ppm1 1.551 ppm2 0.927 CV 1
OR { 336}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 61 and name HG12))
OR { 336}
(( segid "SUPR" and resid 57 and name HB2 ))
( segid "SUPR" and resid 51 and name HD2%)
ASSI { 343}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 36 and name HB2 ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.46621E-02 ppm1 1.184 ppm2 2.093 CV 1
OR { 343}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 62 and name HG1 ))
OR { 343}
( segid "SUPR" and resid 82 and name HG2%)
(( segid "SUPR" and resid 62 and name HG2 ))
ASSI { 344}
(( segid "SUPR" and resid 91 and name HG2 ))
( segid "SUPR" and resid 58 and name HD% )
4.200 2.200 1.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.55483E-03 ppm1 2.102 ppm2 7.358 CV 1
OR { 344}
(( segid "SUPR" and resid 56 and name HB1 ))
( segid "SUPR" and resid 58 and name HD% )
ASSI { 355}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 42 and name HB2 ))
2.200 0.600 0.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.96280E-02 ppm1 0.631 ppm2 0.908 CV 1
OR { 355}
( segid "SUPR" and resid 42 and name HD2%)
( segid "SUPR" and resid 51 and name HD2%)
ASSI { 397}
( segid "SUPR" and resid 33 and name HE% )
(( segid "SUPR" and resid 86 and name HG1 ))
2.500 2.500 3.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.10244E-01 ppm1 1.495 ppm2 1.622 CV 1
OR { 397}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 89 and name HB% )
OR { 397}
( segid "SUPR" and resid 33 and name HE% )
( segid "SUPR" and resid 110 and name HB% )
ASSI { 442}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 86 and name HD1 ))
4.200 2.200 1.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.87757E-03 ppm1 3.530 ppm2 2.967 CV 1
OR { 442}
(( segid "SUPR" and resid 34 and name HB2 ))
(( segid "SUPR" and resid 111 and name HB1 ))
ASSI { 479}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 34 and name HB1 ))
3.400 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.20052E-02 ppm1 0.817 ppm2 2.745 CV 1
OR { 479}
( segid "SUPR" and resid 35 and name HG2%)
(( segid "SUPR" and resid 85 and name HB2 ))
ASSI { 534}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 37 and name HG12))
2.100 0.500 0.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.10916E-01 ppm1 0.726 ppm2 0.555 CV 1
OR { 534}
( segid "SUPR" and resid 37 and name HD1%)
( segid "SUPR" and resid 81 and name HG1%)
ASSI { 535}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 93 and name HB2 ))
4.100 2.100 1.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.47918E-03 ppm1 0.716 ppm2 2.813 CV 1
OR { 535}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 38 and name HB2 ))
OR { 535}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 36 and name HE1 ))
OR { 535}
( segid "SUPR" and resid 37 and name HD1%)
(( segid "SUPR" and resid 80 and name HB1 ))
ASSI { 551}
(( segid "SUPR" and resid 37 and name HG11))
( segid "SUPR" and resid 109 and name HD2%)
3.300 1.300 1.300 peak 551 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 1.703 ppm2 0.910 CV 1
OR { 551}
(( segid "SUPR" and resid 76 and name HG1 ))
( segid "SUPR" and resid 67 and name HG2%)
ASSI { 559}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 92 and name HB% )
3.400 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.70301E-03 ppm1 0.564 ppm2 1.419 CV 1
OR { 559}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 109 and name HD1%)
ASSI { 561}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 81 and name HG2%)
4.700 2.800 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.61995E-03 ppm1 0.568 ppm2 0.256 CV 1
OR { 561}
(( segid "SUPR" and resid 37 and name HG12))
( segid "SUPR" and resid 100 and name HD1%)
ASSI { 567}
( segid "SUPR" and resid 37 and name HG2%)
( segid "SUPR" and resid 89 and name HB% )
4.100 2.100 1.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 0.697 ppm2 1.582 CV 1
OR { 567}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 98 and name HG2 ))
OR { 567}
( segid "SUPR" and resid 37 and name HG2%)
(( segid "SUPR" and resid 36 and name HD1 ))
ASSI { 658}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 77 and name HA2 ))
4.100 2.100 1.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.47743E-03 ppm1 1.112 ppm2 4.096 CV 1
OR { 658}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 44 and name HA ))
OR { 658}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 40 and name HA2 ))
OR { 658}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 51 and name HA ))
ASSI { 659}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 43 and name HD2 ))
3.000 1.100 1.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.99441E-03 ppm1 1.117 ppm2 3.815 CV 1
OR { 659}
(( segid "SUPR" and resid 42 and name HB1 ))
(( segid "SUPR" and resid 41 and name HA1 ))
ASSI { 678}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 98 and name HG2 ))
4.200 2.200 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.64022E-03 ppm1 0.440 ppm2 1.556 CV 1
OR { 678}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 43 and name HB2 ))
OR { 678}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 98 and name HB2 ))
OR { 678}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 103 and name HB2 ))
ASSI { 679}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 79 and name HA2 ))
4.200 2.200 1.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.62411E-03 ppm1 0.426 ppm2 3.942 CV 1
OR { 679}
( segid "SUPR" and resid 42 and name HD1%)
(( segid "SUPR" and resid 41 and name HA2 ))
ASSI { 715}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 46 and name HA ))
4.600 2.600 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.57757E-03 ppm1 2.176 ppm2 4.066 CV 1
OR { 715}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 104 and name HA ))
ASSI { 716}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 42 and name HA ))
4.600 2.600 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.72153E-03 ppm1 2.189 ppm2 4.260 CV 1
OR { 716}
(( segid "SUPR" and resid 43 and name HG1 ))
(( segid "SUPR" and resid 101 and name HA ))
ASSI { 748}
( segid "SUPR" and resid 44 and name HE% )
(( segid "SUPR" and resid 44 and name HA ))
4.200 2.200 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.93511E-03 ppm1 5.961 ppm2 4.102 CV 1
OR { 748}
( segid "SUPR" and resid 44 and name HE% )
(( segid "SUPR" and resid 77 and name HA2 ))
ASSI { 777}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 51 and name HA ))
3.700 1.700 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.15975E-02 ppm1 1.138 ppm2 4.142 CV 1
OR { 777}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 50 and name HA ))
OR { 777}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 77 and name HA2 ))
ASSI { 778}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 49 and name HG1 ))
3.300 3.300 2.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.40310E-02 ppm1 1.143 ppm2 1.410 CV 1
OR { 778}
( segid "SUPR" and resid 46 and name HG2%)
(( segid "SUPR" and resid 39 and name HB ))
ASSI { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 103 and name HB1 ))
2.800 2.800 3.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.64818E-02 ppm1 1.269 ppm2 1.544 CV 1
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 98 and name HB2 ))
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 98 and name HG2 ))
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 57 and name HG1 ))
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 57 and name HB2 ))
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 61 and name HG11))
OR { 823}
( segid "SUPR" and resid 50 and name HG2%)
(( segid "SUPR" and resid 57 and name HB1 ))
ASSI { 833}
(( segid "SUPR" and resid 51 and name HB1 ))
(( segid "SUPR" and resid 39 and name HB ))
3.300 3.300 2.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.26175E-02 ppm1 1.949 ppm2 1.457 CV 1
OR { 833}
(( segid "SUPR" and resid 51 and name HB1 ))
(( segid "SUPR" and resid 61 and name HB ))
ASSI { 837}
(( segid "SUPR" and resid 51 and name HB2 ))
(( segid "SUPR" and resid 39 and name HB ))
3.200 3.200 2.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.35418E-02 ppm1 1.296 ppm2 1.459 CV 1
OR { 837}
(( segid "SUPR" and resid 51 and name HB2 ))
(( segid "SUPR" and resid 61 and name HB ))
OR { 837}
(( segid "SUPR" and resid 51 and name HB2 ))
( segid "SUPR" and resid 92 and name HB% )
ASSI { 842}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 79 and name HA1 ))
3.000 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.13846E-02 ppm1 0.547 ppm2 3.793 CV 1
OR { 842}
( segid "SUPR" and resid 51 and name HD1%)
(( segid "SUPR" and resid 66 and name HA ))
ASSI { 845}
( segid "SUPR" and resid 51 and name HD1%)
( segid "SUPR" and resid 42 and name HD2%)
2.200 0.600 0.600 peak 845 spectrum 1 weight 0.10000E+01 volume 0.98258E-02 ppm1 0.567 ppm2 0.607 CV 1
OR { 845}
( segid "SUPR" and resid 51 and name HD1%)
( segid "SUPR" and resid 39 and name HG2%)
OR { 845}
( segid "SUPR" and resid 51 and name HD1%)
( segid "SUPR" and resid 66 and name HG2%)
ASSI { 857}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 55 and name HB1 ))
3.700 1.700 1.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.77250E-03 ppm1 0.933 ppm2 2.891 CV 1
OR { 857}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 54 and name HB1 ))
ASSI { 858}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 43 and name HB1 ))
3.700 3.700 2.300 peak 858 spectrum 1 weight 0.10000E+01 volume 0.17741E-02 ppm1 0.937 ppm2 2.054 CV 1
OR { 858}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 107 and name HB ))
OR { 858}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 53 and name HB1 ))
OR { 858}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 56 and name HB1 ))
ASSI { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 79 and name HA1 ))
3.800 1.800 1.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.80235E-03 ppm1 0.928 ppm2 3.764 CV 1
OR { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 66 and name HA ))
OR { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 52 and name HA ))
OR { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 43 and name HD2 ))
OR { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 43 and name HD1 ))
OR { 859}
( segid "SUPR" and resid 51 and name HD2%)
(( segid "SUPR" and resid 100 and name HA ))
ASSI { 941}
(( segid "SUPR" and resid 88 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.17173E-02 ppm1 4.342 ppm2 1.938 CV 1
OR { 941}
(( segid "SUPR" and resid 55 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
OR { 941}
(( segid "SUPR" and resid 58 and name HA ))
( segid "SUPR" and resid 83 and name HE% )
OR { 941}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 92 and name HA ))
OR { 941}
(( segid "SUPR" and resid 58 and name HA ))
(( segid "SUPR" and resid 92 and name HA ))
OR { 941}
(( segid "SUPR" and resid 88 and name HA ))
(( segid "SUPR" and resid 92 and name HA ))
ASSI { 942}
(( segid "SUPR" and resid 88 and name HA ))
( segid "SUPR" and resid 87 and name HB% )
3.800 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.87624E-03 ppm1 4.343 ppm2 1.520 CV 1
OR { 942}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 61 and name HG11))
OR { 942}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 57 and name HG1 ))
OR { 942}
(( segid "SUPR" and resid 55 and name HA ))
(( segid "SUPR" and resid 61 and name HB ))
OR { 942}
(( segid "SUPR" and resid 88 and name HA ))
(( segid "SUPR" and resid 94 and name HG1 ))
ASSI { 1004}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 55 and name HA ))
3.100 1.200 1.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 1.593 ppm2 4.331 CV 1
OR { 1004}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 72 and name HB ))
OR { 1004}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 72 and name HB ))
OR { 1004}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 58 and name HA ))
OR { 1004}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 58 and name HA ))
OR { 1004}
(( segid "SUPR" and resid 57 and name HB1 ))
(( segid "SUPR" and resid 55 and name HA ))
ASSI { 1005}
(( segid "SUPR" and resid 74 and name HD1 ))
(( segid "SUPR" and resid 74 and name HA ))
3.100 1.200 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.32907E-02 ppm1 1.584 ppm2 4.422 CV 1
OR { 1005}
(( segid "SUPR" and resid 74 and name HD2 ))
(( segid "SUPR" and resid 74 and name HA ))
OR { 1005}
(( segid "SUPR" and resid 57 and name HB2 ))
(( segid "SUPR" and resid 56 and name HA ))
ASSI { 1017}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 91 and name HB2 ))
4.200 2.200 1.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.64619E-03 ppm1 3.662 ppm2 2.051 CV 1
OR { 1017}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 83 and name HG1 ))
OR { 1017}
(( segid "SUPR" and resid 58 and name HB2 ))
(( segid "SUPR" and resid 91 and name HG2 ))
ASSI { 1033}
( segid "SUPR" and resid 58 and name HE% )
(( segid "SUPR" and resid 92 and name HA ))
3.900 1.900 1.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.40518E-03 ppm1 6.971 ppm2 1.942 CV 1
OR { 1033}
( segid "SUPR" and resid 58 and name HE% )
( segid "SUPR" and resid 83 and name HE% )
ASSI { 1066}
( segid "SUPR" and resid 61 and name HD1%)
( segid "SUPR" and resid 83 and name HE% )
3.200 1.300 1.300 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.23796E-02 ppm1 0.343 ppm2 1.932 CV 1
OR { 1066}
( segid "SUPR" and resid 61 and name HD1%)
(( segid "SUPR" and resid 51 and name HB1 ))
ASSI { 1104}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 60 and name HB2 ))
4.700 2.800 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.42875E-03 ppm1 2.100 ppm2 2.565 CV 1
OR { 1104}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 83 and name HB1 ))
OR { 1104}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 83 and name HB1 ))
OR { 1104}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 60 and name HB2 ))
OR { 1104}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 60 and name HB1 ))
OR { 1104}
(( segid "SUPR" and resid 62 and name HG1 ))
(( segid "SUPR" and resid 60 and name HB1 ))
OR { 1104}
(( segid "SUPR" and resid 62 and name HG2 ))
(( segid "SUPR" and resid 83 and name HG2 ))
ASSI { 1144}
( segid "SUPR" and resid 64 and name HB% )
(( segid "SUPR" and resid 61 and name HB ))
2.800 1.000 1.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 1.330 ppm2 1.467 CV 1
OR { 1144}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 103 and name HB1 ))
OR { 1144}
( segid "SUPR" and resid 105 and name HB% )
(( segid "SUPR" and resid 39 and name HB ))
OR { 1144}
( segid "SUPR" and resid 64 and name HB% )
(( segid "SUPR" and resid 39 and name HB ))
ASSI { 1322}
(( segid "SUPR" and resid 76 and name HA ))
(( segid "SUPR" and resid 76 and name HD2 ))
4.000 2.000 2.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 4.570 ppm2 3.162 CV 1
OR { 1322}
(( segid "SUPR" and resid 76 and name HA ))
(( segid "SUPR" and resid 69 and name HB2 ))
ASSI { 1328}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 69 and name HB1 ))
4.000 2.000 2.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.68823E-03 ppm1 3.385 ppm2 2.503 CV 1
OR { 1328}
(( segid "SUPR" and resid 76 and name HD1 ))
(( segid "SUPR" and resid 78 and name HB1 ))
ASSI { 1335}
(( segid "SUPR" and resid 76 and name HD2 ))
(( segid "SUPR" and resid 67 and name HG11))
3.400 1.400 1.400 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 3.172 ppm2 1.360 CV 1
OR { 1335}
(( segid "SUPR" and resid 30 and name HD1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 1335}
(( segid "SUPR" and resid 30 and name HD2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 1335}
(( segid "SUPR" and resid 30 and name HD1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
ASSI { 1427}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 61 and name HA ))
3.500 1.500 1.500 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.18100E-02 ppm1 0.563 ppm2 4.116 CV 1
OR { 1427}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 89 and name HA ))
OR { 1427}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 40 and name HA2 ))
OR { 1427}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 51 and name HA ))
OR { 1427}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 67 and name HA ))
OR { 1427}
( segid "SUPR" and resid 66 and name HG2%)
(( segid "SUPR" and resid 77 and name HA2 ))
OR { 1427}
( segid "SUPR" and resid 81 and name HG1%)
(( segid "SUPR" and resid 88 and name HB2 ))
OR { 1427}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 110 and name HA ))
OR { 1427}
( segid "SUPR" and resid 39 and name HG2%)
(( segid "SUPR" and resid 89 and name HA ))
ASSI { 1479}
(( segid "SUPR" and resid 83 and name HB1 ))
( segid "SUPR" and resid 81 and name HG1%)
4.200 2.300 1.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.59260E-03 ppm1 2.556 ppm2 0.530 CV 1
OR { 1479}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 37 and name HG12))
ASSI { 1480}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 88 and name HB2 ))
3.200 1.300 1.300 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.11499E-02 ppm1 2.568 ppm2 4.062 CV 1
OR { 1480}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 89 and name HA ))
OR { 1480}
(( segid "SUPR" and resid 83 and name HB1 ))
(( segid "SUPR" and resid 84 and name HA ))
ASSI { 1490}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 89 and name HA ))
3.600 1.700 1.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.82901E-03 ppm1 2.268 ppm2 4.061 CV 1
OR { 1490}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 86 and name HA ))
OR { 1490}
(( segid "SUPR" and resid 83 and name HB2 ))
(( segid "SUPR" and resid 88 and name HB2 ))
ASSI { 1501}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 88 and name HA ))
3.600 1.700 1.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 1.955 ppm2 4.327 CV 1
OR { 1501}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 58 and name HA ))
ASSI { 1502}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 56 and name HA ))
3.400 1.500 1.500 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.10342E-02 ppm1 1.937 ppm2 4.428 CV 1
OR { 1502}
( segid "SUPR" and resid 83 and name HE% )
(( segid "SUPR" and resid 35 and name HA ))
ASSI { 1596}
( segid "SUPR" and resid 89 and name HB% )
(( segid "SUPR" and resid 86 and name HA ))
2.000 0.500 0.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.12189E-01 ppm1 1.603 ppm2 4.104 CV 1
OR { 1596}
( segid "SUPR" and resid 89 and name HB% )
(( segid "SUPR" and resid 89 and name HA ))
ASSI { 1663}
( segid "SUPR" and resid 92 and name HB% )
(( segid "SUPR" and resid 88 and name HB1 ))
3.400 1.400 1.400 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.73293E-03 ppm1 1.420 ppm2 3.870 CV 1
OR { 1663}
( segid "SUPR" and resid 92 and name HB% )
(( segid "SUPR" and resid 94 and name HA ))
ASSI { 1732}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 98 and name HG2 ))
4.400 2.400 1.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.77774E-03 ppm1 5.914 ppm2 1.544 CV 1
OR { 1732}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 98 and name HB2 ))
OR { 1732}
(( segid "SUPR" and resid 97 and name HA ))
(( segid "SUPR" and resid 104 and name HB1 ))
ASSI { 1833}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 51 and name HA ))
3.600 1.600 1.600 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.77817E-03 ppm1 0.218 ppm2 4.096 CV 1
OR { 1833}
( segid "SUPR" and resid 100 and name HD1%)
(( segid "SUPR" and resid 104 and name HA ))
ASSI { 1834}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 42 and name HD2%)
3.000 1.100 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.27405E-02 ppm1 0.224 ppm2 0.591 CV 1
OR { 1834}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 39 and name HG2%)
OR { 1834}
( segid "SUPR" and resid 100 and name HD1%)
( segid "SUPR" and resid 99 and name HG2%)
ASSI { 1865}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 51 and name HA ))
3.200 1.200 1.200 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.16228E-02 ppm1 0.450 ppm2 4.109 CV 1
OR { 1865}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 104 and name HA ))
OR { 1865}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 102 and name HA2 ))
ASSI { 1866}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 101 and name HA ))
3.900 1.900 1.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.446 ppm2 4.217 CV 1
OR { 1866}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 99 and name HA ))
ASSI { 1869}
( segid "SUPR" and resid 100 and name HG2%)
(( segid "SUPR" and resid 100 and name HB ))
2.100 0.500 0.500 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.12955E-01 ppm1 0.450 ppm2 1.277 CV 1
OR { 1869}
( segid "SUPR" and resid 100 and name HG2%)
( segid "SUPR" and resid 50 and name HG2%)
ASSI { 1929}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 103 and name HA ))
2.900 1.000 1.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.31898E-02 ppm1 1.733 ppm2 4.557 CV 1
OR { 1929}
(( segid "SUPR" and resid 103 and name HG2 ))
(( segid "SUPR" and resid 43 and name HA ))
ASSI { 1933}
(( segid "SUPR" and resid 51 and name HA ))
(( segid "SUPR" and resid 51 and name HB1 ))
2.600 0.900 0.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.32503E-02 ppm1 4.093 ppm2 1.929 CV 1
OR { 1933}
(( segid "SUPR" and resid 48 and name HA ))
(( segid "SUPR" and resid 51 and name HB1 ))
ASSI { 1934}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 104 and name HG2 ))
2.500 0.800 0.800 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.49552E-02 ppm1 4.094 ppm2 1.297 CV 1
OR { 1934}
(( segid "SUPR" and resid 51 and name HA ))
(( segid "SUPR" and resid 51 and name HB2 ))
OR { 1934}
(( segid "SUPR" and resid 48 and name HA ))
(( segid "SUPR" and resid 51 and name HB2 ))
OR { 1934}
(( segid "SUPR" and resid 104 and name HA ))
(( segid "SUPR" and resid 104 and name HG1 ))
OR { 1934}
(( segid "SUPR" and resid 51 and name HA ))
( segid "SUPR" and resid 50 and name HG2%)
OR { 1934}
(( segid "SUPR" and resid 48 and name HA ))
( segid "SUPR" and resid 64 and name HB% )
OR { 1934}
(( segid "SUPR" and resid 104 and name HA ))
( segid "SUPR" and resid 105 and name HB% )
ASSI { 1961}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 84 and name HG1 ))
2.600 0.800 0.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.52268E-02 ppm1 2.965 ppm2 1.379 CV 1
OR { 1961}
(( segid "SUPR" and resid 115 and name HE2 ))
(( segid "SUPR" and resid 115 and name HG1 ))
OR { 1961}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 84 and name HG1 ))
OR { 1961}
(( segid "SUPR" and resid 84 and name HE2 ))
(( segid "SUPR" and resid 84 and name HG2 ))
OR { 1961}
(( segid "SUPR" and resid 49 and name HE2 ))
(( segid "SUPR" and resid 49 and name HG1 ))
OR { 1961}
(( segid "SUPR" and resid 115 and name HE1 ))
(( segid "SUPR" and resid 115 and name HG1 ))
OR { 1961}
(( segid "SUPR" and resid 49 and name HE1 ))
(( segid "SUPR" and resid 49 and name HG1 ))
OR { 1961}
(( segid "SUPR" and resid 84 and name HE1 ))
(( segid "SUPR" and resid 84 and name HG2 ))
ASSI { 2000}
(( segid "SUPR" and resid 107 and name HB ))
( segid "SUPR" and resid 39 and name HG2%)
4.400 2.400 1.600 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.63087E-03 ppm1 2.038 ppm2 0.575 CV 1
OR { 2000}
(( segid "SUPR" and resid 107 and name HB ))
(( segid "SUPR" and resid 37 and name HG12))
ASSI { 2007}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 93 and name HA ))
2.400 0.700 0.700 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.80645E-02 ppm1 1.039 ppm2 4.256 CV 1
OR { 2007}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 37 and name HA ))
OR { 2007}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 93 and name HA ))
ASSI { 2008}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 96 and name HA ))
3.000 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.34633E-02 ppm1 1.015 ppm2 4.661 CV 1
OR { 2008}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 96 and name HA ))
OR { 2008}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 38 and name HA ))
ASSI { 2009}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 93 and name HB2 ))
3.400 1.400 1.400 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.18233E-02 ppm1 1.043 ppm2 2.809 CV 1
OR { 2009}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 108 and name HB2 ))
OR { 2009}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 108 and name HB2 ))
OR { 2009}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 38 and name HB2 ))
OR { 2009}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 93 and name HB2 ))
ASSI { 2010}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 97 and name HB1 ))
3.000 3.000 3.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.90544E-03 ppm1 1.031 ppm2 2.401 CV 1
OR { 2010}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 97 and name HB1 ))
OR { 2010}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 36 and name HE2 ))
OR { 2010}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 36 and name HE2 ))
ASSI { 2012}
( segid "SUPR" and resid 107 and name HG1%)
( segid "SUPR" and resid 92 and name HB% )
2.800 1.000 1.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.24749E-02 ppm1 1.037 ppm2 1.430 CV 1
OR { 2012}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 39 and name HB ))
ASSI { 2027}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 108 and name HB1 ))
3.900 1.900 1.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 1.045 ppm2 3.042 CV 1
OR { 2027}
( segid "SUPR" and resid 107 and name HG1%)
(( segid "SUPR" and resid 93 and name HB1 ))
OR { 2027}
( segid "SUPR" and resid 107 and name HG2%)
(( segid "SUPR" and resid 108 and name HB1 ))
ASSI { 2040}
(( segid "SUPR" and resid 74 and name HE1 ))
(( segid "SUPR" and resid 69 and name HB2 ))
2.900 2.900 3.100 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 2.812 ppm2 3.122 CV 1
OR { 2040}
(( segid "SUPR" and resid 108 and name HB2 ))
(( segid "SUPR" and resid 98 and name HD2 ))
OR { 2040}
(( segid "SUPR" and resid 103 and name HD1 ))
(( segid "SUPR" and resid 98 and name HD2 ))
OR { 2040}
(( segid "SUPR" and resid 103 and name HD2 ))
(( segid "SUPR" and resid 98 and name HD2 ))
ASSI { 2070}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HE2 ))
2.800 1.000 1.000 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.29911E-02 ppm1 1.389 ppm2 2.927 CV 1
OR { 2070}
(( segid "SUPR" and resid 74 and name HG1 ))
(( segid "SUPR" and resid 74 and name HE2 ))
OR { 2070}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HE1 ))
OR { 2070}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HE2 ))
OR { 2070}
(( segid "SUPR" and resid 74 and name HG2 ))
(( segid "SUPR" and resid 74 and name HE2 ))
OR { 2070}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HE1 ))
ASSI { 2071}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 60 and name HB2 ))
3.400 1.500 1.500 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.22231E-02 ppm1 1.394 ppm2 2.598 CV 1
OR { 2071}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 60 and name HB2 ))
OR { 2071}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 83 and name HB1 ))
ASSI { 2072}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 60 and name HB1 ))
3.300 1.300 1.300 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 1.396 ppm2 2.536 CV 1
OR { 2072}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 60 and name HB1 ))
OR { 2072}
(( segid "SUPR" and resid 74 and name HG1 ))
(( segid "SUPR" and resid 69 and name HB1 ))
OR { 2072}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 83 and name HB1 ))
OR { 2072}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 83 and name HB1 ))
ASSI { 2073}
( segid "SUPR" and resid 109 and name HD1%)
( segid "SUPR" and resid 112 and name HD1%)
3.300 1.300 1.300 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.33145E-02 ppm1 1.375 ppm2 0.958 CV 1
OR { 2073}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 36 and name HG1 ))
ASSI { 2075}
(( segid "SUPR" and resid 84 and name HG1 ))
(( segid "SUPR" and resid 84 and name HB2 ))
2.300 0.700 0.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.96274E-02 ppm1 1.384 ppm2 1.903 CV 1
OR { 2075}
(( segid "SUPR" and resid 84 and name HG2 ))
(( segid "SUPR" and resid 84 and name HB2 ))
OR { 2075}
( segid "SUPR" and resid 109 and name HD1%)
(( segid "SUPR" and resid 109 and name HB2 ))
ASSI { 2089}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 90 and name HG1 ))
2.900 2.900 3.100 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.92474E-03 ppm1 0.904 ppm2 2.280 CV 1
OR { 2089}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 90 and name HB2 ))
OR { 2089}
( segid "SUPR" and resid 109 and name HD2%)
(( segid "SUPR" and resid 83 and name HB2 ))
ASSI { 2106}
(( segid "SUPR" and resid 110 and name HA ))
(( segid "SUPR" and resid 108 and name HB1 ))
4.300 2.300 1.700 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 4.143 ppm2 3.001 CV 1
OR { 2106}
(( segid "SUPR" and resid 110 and name HA ))
(( segid "SUPR" and resid 111 and name HB1 ))
OR { 2106}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 93 and name HB1 ))
OR { 2106}
(( segid "SUPR" and resid 89 and name HA ))
(( segid "SUPR" and resid 86 and name HD1 ))
ASSI { 2113}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 38 and name HB2 ))
2.600 0.900 0.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.38705E-02 ppm1 1.669 ppm2 2.822 CV 1
OR { 2113}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 36 and name HE1 ))
ASSI { 2114}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 36 and name HG2 ))
2.700 0.900 0.900 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.29792E-02 ppm1 1.670 ppm2 1.374 CV 1
OR { 2114}
( segid "SUPR" and resid 110 and name HB% )
( segid "SUPR" and resid 109 and name HD1%)
ASSI { 2115}
( segid "SUPR" and resid 110 and name HB% )
(( segid "SUPR" and resid 81 and name HB ))
2.800 2.800 3.200 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 1.678 ppm2 1.088 CV 1
OR { 2115}
( segid "SUPR" and resid 110 and name HB% )
( segid "SUPR" and resid 32 and name HG2%)
ASSI { 2200}
( segid "SUPR" and resid 112 and name HD1%)
( segid "SUPR" and resid 110 and name HB% )
2.700 2.700 3.300 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 0.991 ppm2 1.649 CV 1
OR { 2200}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 36 and name HD2 ))
OR { 2200}
( segid "SUPR" and resid 112 and name HD1%)
(( segid "SUPR" and resid 115 and name HD1 ))
ASSI { 2212}
( segid "SUPR" and resid 112 and name HD2%)
( segid "SUPR" and resid 112 and name HD1%)
2.000 0.500 0.500 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.20071E-01 ppm1 0.647 ppm2 0.960 CV 1
OR { 2212}
( segid "SUPR" and resid 42 and name HD2%)
(( segid "SUPR" and resid 42 and name HB2 ))
OR { 2212}
( segid "SUPR" and resid 42 and name HD2%)
( segid "SUPR" and resid 51 and name HD2%)
ASSI { 2235}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 111 and name HB1 ))
3.200 1.300 1.300 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 1.326 ppm2 2.958 CV 1
OR { 2235}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 115 and name HE2 ))
OR { 2235}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 115 and name HE1 ))
ASSI { 2237}
( segid "SUPR" and resid 114 and name HB% )
( segid "SUPR" and resid 118 and name HG2%)
2.600 2.600 3.400 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.56468E-02 ppm1 1.320 ppm2 1.175 CV 1
OR { 2237}
( segid "SUPR" and resid 114 and name HB% )
( segid "SUPR" and resid 82 and name HG2%)
ASSI { 2239}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 109 and name HB1 ))
2.600 2.600 3.400 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 1.316 ppm2 1.859 CV 1
OR { 2239}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 109 and name HB2 ))
OR { 2239}
( segid "SUPR" and resid 114 and name HB% )
(( segid "SUPR" and resid 117 and name HB2 ))
ASSI { 2261}
(( segid "SUPR" and resid 115 and name HG2 ))
(( segid "SUPR" and resid 116 and name HD2 ))
4.300 2.300 1.700 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.61724E-03 ppm1 1.500 ppm2 3.576 CV 1
OR { 2261}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 52 and name HB2 ))
OR { 2261}
(( segid "SUPR" and resid 49 and name HG2 ))
(( segid "SUPR" and resid 52 and name HB1 ))
ASSI { 3}
(( segid "SUPR" and resid 38 and name HA ))
(( segid "RNA1" and resid 5 and name H1' ))
4.400 2.400 1.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17424E-02 ppm1 4.644 ppm2 6.307 CV 1
OR { 3}
(( segid "SUPR" and resid 96 and name HA ))
( segid "SUPR" and resid 54 and name HD% )
OR { 3}
(( segid "SUPR" and resid 38 and name HA ))
( segid "SUPR" and resid 54 and name HD% )
ASSI { 60}
(( segid "RNA1" and resid 6 and name H2' ))
(( segid "RNA1" and resid 6 and name H1' ))
3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14411E-02 ppm1 4.739 ppm2 6.015 CV 1
OR { 60}
(( segid "RNA1" and resid 7 and name H3' ))
(( segid "RNA1" and resid 7 and name H1' ))
Contact the webmaster for help, if required. Sunday, May 19, 2024 5:33:27 PM GMT (wattos1)